USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 820 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 168 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 170 ASN :FLIP amide:sc= -0.797 F(o=-2.1!,f=-0.8) USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 ASN :FLIP amide:sc= -0.753 F(o=-1.8!,f=-0.75) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= 1.2 (180deg=1.03) USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -45:sc= 0.801 USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 1.75 (180deg=1.2) USER MOD Single : A 71 GLN : amide:sc= 0.925 K(o=0.93,f=-4.9!) USER MOD Single : A 73 MET CE :methyl -168:sc= -0.449 (180deg=-0.561) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.838) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 0.758 (180deg=0.0239) USER MOD Single : A 81 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.41) USER MOD Single : A 82 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.56) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 0.955 K(o=0.95,f=-0.0029) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 TYR OH : rot 180:sc= 0 USER MOD Single : B 162 SER OG : rot 180:sc= 0 USER MOD Single : B 165 SER OG : rot -48:sc= 0.688 USER MOD Single : B 169 LYS NZ :NH3+ 156:sc= 1.65 (180deg=1.06) USER MOD Single : B 171 GLN : amide:sc= 1.08 K(o=1.1,f=-4.5!) USER MOD Single : B 173 MET CE :methyl -114:sc= -0.148 (180deg=-0.342) USER MOD Single : B 178 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.16) USER MOD Single : B 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : B 182 GLN : amide:sc= 0.233 K(o=0.23,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -8.268 -7.951 7.918 1.00 0.00 N ATOM 133 CA GLU A 11 -8.497 -6.840 6.979 1.00 0.00 C ATOM 134 C GLU A 11 -7.861 -7.089 5.599 1.00 0.00 C ATOM 135 O GLU A 11 -8.456 -6.741 4.580 1.00 0.00 O ATOM 136 CB GLU A 11 -7.983 -5.521 7.581 1.00 0.00 C ATOM 137 CG GLU A 11 -8.662 -5.114 8.901 1.00 0.00 C ATOM 138 CD GLU A 11 -10.205 -5.135 8.857 1.00 0.00 C ATOM 139 OE1 GLU A 11 -10.834 -5.548 9.860 1.00 0.00 O ATOM 140 OE2 GLU A 11 -10.806 -4.713 7.839 1.00 0.00 O1- ATOM 0 HA GLU A 11 -9.573 -6.770 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.910 -5.608 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.127 -4.723 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.324 -5.784 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.332 -4.111 9.171 1.00 0.00 H new ATOM 147 N LEU A 12 -6.712 -7.772 5.533 1.00 0.00 N ATOM 148 CA LEU A 12 -6.132 -8.243 4.263 1.00 0.00 C ATOM 149 C LEU A 12 -7.074 -9.249 3.580 1.00 0.00 C ATOM 150 O LEU A 12 -7.299 -9.167 2.371 1.00 0.00 O ATOM 151 CB LEU A 12 -4.747 -8.887 4.503 1.00 0.00 C ATOM 152 CG LEU A 12 -3.539 -7.944 4.674 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.213 -7.234 3.362 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.711 -6.893 5.770 1.00 0.00 C ATOM 0 H LEU A 12 -6.157 -8.015 6.354 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.006 -7.382 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.816 -9.509 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.537 -9.553 3.666 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.719 -8.594 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.358 -6.575 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.975 -7.974 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.074 -6.646 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.816 -6.273 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.574 -6.267 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.866 -7.389 6.728 1.00 0.00 H new ATOM 166 N SER A 13 -7.672 -10.156 4.360 1.00 0.00 N ATOM 167 CA SER A 13 -8.669 -11.127 3.879 1.00 0.00 C ATOM 168 C SER A 13 -9.981 -10.461 3.429 1.00 0.00 C ATOM 169 O SER A 13 -10.607 -10.912 2.468 1.00 0.00 O ATOM 170 CB SER A 13 -8.977 -12.173 4.961 1.00 0.00 C ATOM 171 OG SER A 13 -7.810 -12.893 5.342 1.00 0.00 O ATOM 0 H SER A 13 -7.476 -10.240 5.358 1.00 0.00 H new ATOM 0 HA SER A 13 -8.226 -11.612 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.402 -11.679 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.730 -12.869 4.591 1.00 0.00 H new ATOM 0 HG SER A 13 -8.041 -13.549 6.033 1.00 0.00 H new ATOM 177 N GLU A 14 -10.388 -9.361 4.072 1.00 0.00 N ATOM 178 CA GLU A 14 -11.542 -8.554 3.661 1.00 0.00 C ATOM 179 C GLU A 14 -11.300 -7.839 2.318 1.00 0.00 C ATOM 180 O GLU A 14 -12.128 -7.944 1.415 1.00 0.00 O ATOM 181 CB GLU A 14 -11.897 -7.553 4.777 1.00 0.00 C ATOM 182 CG GLU A 14 -13.111 -6.652 4.488 1.00 0.00 C ATOM 183 CD GLU A 14 -14.442 -7.418 4.295 1.00 0.00 C ATOM 184 OE1 GLU A 14 -14.589 -8.560 4.801 1.00 0.00 O ATOM 185 OE2 GLU A 14 -15.372 -6.868 3.658 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.919 -9.002 4.903 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.388 -9.223 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.088 -8.109 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.030 -6.919 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.228 -5.946 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.909 -6.067 3.591 1.00 0.00 H new ATOM 192 N ILE A 15 -10.146 -7.176 2.154 1.00 0.00 N ATOM 193 CA ILE A 15 -9.743 -6.480 0.917 1.00 0.00 C ATOM 194 C ILE A 15 -9.533 -7.448 -0.268 1.00 0.00 C ATOM 195 O ILE A 15 -9.824 -7.089 -1.409 1.00 0.00 O ATOM 196 CB ILE A 15 -8.497 -5.602 1.199 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.798 -4.416 2.152 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.851 -5.041 -0.079 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.952 -3.503 1.732 1.00 0.00 C ATOM 0 H ILE A 15 -9.448 -7.105 2.894 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.560 -5.828 0.607 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.797 -6.284 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.017 -4.816 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.896 -3.811 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.984 -4.436 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.535 -5.865 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.575 -4.424 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.075 -2.709 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.733 -3.064 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.872 -4.085 1.669 1.00 0.00 H new ATOM 211 N GLU A 16 -9.103 -8.691 -0.024 1.00 0.00 N ATOM 212 CA GLU A 16 -9.091 -9.782 -1.021 1.00 0.00 C ATOM 213 C GLU A 16 -10.502 -10.248 -1.449 1.00 0.00 C ATOM 214 O GLU A 16 -10.675 -10.738 -2.569 1.00 0.00 O ATOM 215 CB GLU A 16 -8.323 -10.987 -0.434 1.00 0.00 C ATOM 216 CG GLU A 16 -6.795 -10.858 -0.538 1.00 0.00 C ATOM 217 CD GLU A 16 -6.216 -11.435 -1.844 1.00 0.00 C ATOM 218 OE1 GLU A 16 -5.048 -11.892 -1.834 1.00 0.00 O ATOM 219 OE2 GLU A 16 -6.881 -11.429 -2.906 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.746 -8.978 0.887 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.605 -9.388 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.598 -11.106 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.638 -11.894 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.521 -9.806 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.337 -11.368 0.309 1.00 0.00 H new ATOM 226 N GLY A 17 -11.510 -10.117 -0.577 1.00 0.00 N ATOM 227 CA GLY A 17 -12.875 -10.623 -0.799 1.00 0.00 C ATOM 228 C GLY A 17 -13.810 -9.685 -1.590 1.00 0.00 C ATOM 229 O GLY A 17 -14.793 -10.150 -2.172 1.00 0.00 O ATOM 0 H GLY A 17 -11.399 -9.647 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.810 -11.574 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.330 -10.828 0.170 1.00 0.00 H new ATOM 233 N LEU A 18 -13.519 -8.381 -1.619 1.00 0.00 N ATOM 234 CA LEU A 18 -14.353 -7.326 -2.220 1.00 0.00 C ATOM 235 C LEU A 18 -13.876 -6.857 -3.619 1.00 0.00 C ATOM 236 O LEU A 18 -12.891 -7.368 -4.158 1.00 0.00 O ATOM 237 CB LEU A 18 -14.528 -6.199 -1.183 1.00 0.00 C ATOM 238 CG LEU A 18 -13.262 -5.486 -0.678 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.595 -4.577 -1.701 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.635 -4.641 0.540 1.00 0.00 C ATOM 0 H LEU A 18 -12.661 -8.012 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.336 -7.736 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.187 -5.446 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.045 -6.616 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.543 -6.271 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.712 -4.117 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.301 -5.163 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.294 -3.799 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.748 -4.128 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.388 -3.906 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.035 -5.286 1.322 1.00 0.00 H new ATOM 252 N GLN A 19 -14.587 -5.886 -4.204 1.00 0.00 N ATOM 253 CA GLN A 19 -14.348 -5.351 -5.557 1.00 0.00 C ATOM 254 C GLN A 19 -14.219 -3.812 -5.586 1.00 0.00 C ATOM 255 O GLN A 19 -14.415 -3.134 -4.574 1.00 0.00 O ATOM 256 CB GLN A 19 -15.442 -5.865 -6.513 1.00 0.00 C ATOM 257 CG GLN A 19 -16.829 -5.218 -6.312 1.00 0.00 C ATOM 258 CD GLN A 19 -17.950 -6.254 -6.337 1.00 0.00 C ATOM 259 OE1 GLN A 19 -18.716 -6.372 -7.290 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.077 -7.067 -5.305 1.00 0.00 N ATOM 0 H GLN A 19 -15.372 -5.433 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.381 -5.719 -5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.120 -5.690 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.538 -6.944 -6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.847 -4.687 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.001 -4.478 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.448 -6.980 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.804 -7.782 -5.306 1.00 0.00 H new ATOM 269 N ASP A 20 -13.904 -3.248 -6.755 1.00 0.00 N ATOM 270 CA ASP A 20 -13.564 -1.821 -6.938 1.00 0.00 C ATOM 271 C ASP A 20 -14.657 -0.831 -6.502 1.00 0.00 C ATOM 272 O ASP A 20 -14.339 0.264 -6.040 1.00 0.00 O ATOM 273 CB ASP A 20 -13.182 -1.542 -8.406 1.00 0.00 C ATOM 274 CG ASP A 20 -11.988 -2.345 -8.957 1.00 0.00 C ATOM 275 OD1 ASP A 20 -11.773 -2.304 -10.191 1.00 0.00 O ATOM 276 OD2 ASP A 20 -11.240 -2.990 -8.185 1.00 0.00 O1- ATOM 0 H ASP A 20 -13.876 -3.778 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.718 -1.649 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.051 -1.745 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.958 -0.480 -8.507 1.00 0.00 H new ATOM 281 N ASP A 21 -15.936 -1.214 -6.584 1.00 0.00 N ATOM 282 CA ASP A 21 -17.052 -0.385 -6.101 1.00 0.00 C ATOM 283 C ASP A 21 -17.048 -0.220 -4.570 1.00 0.00 C ATOM 284 O ASP A 21 -17.433 0.828 -4.046 1.00 0.00 O ATOM 285 CB ASP A 21 -18.392 -0.988 -6.553 1.00 0.00 C ATOM 286 CG ASP A 21 -18.622 -1.014 -8.077 1.00 0.00 C ATOM 287 OD1 ASP A 21 -17.940 -0.285 -8.841 1.00 0.00 O ATOM 288 OD2 ASP A 21 -19.534 -1.755 -8.516 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.229 -2.105 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.923 0.606 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.459 -2.008 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.201 -0.423 -6.090 1.00 0.00 H new ATOM 293 N ASP A 22 -16.581 -1.230 -3.830 1.00 0.00 N ATOM 294 CA ASP A 22 -16.425 -1.201 -2.367 1.00 0.00 C ATOM 295 C ASP A 22 -15.145 -0.457 -1.937 1.00 0.00 C ATOM 296 O ASP A 22 -15.114 0.154 -0.865 1.00 0.00 O ATOM 297 CB ASP A 22 -16.424 -2.638 -1.824 1.00 0.00 C ATOM 298 CG ASP A 22 -17.638 -3.471 -2.262 1.00 0.00 C ATOM 299 OD1 ASP A 22 -18.792 -3.005 -2.099 1.00 0.00 O ATOM 300 OD2 ASP A 22 -17.447 -4.618 -2.739 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.292 -2.117 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.267 -0.652 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.514 -3.140 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.393 -2.604 -0.735 1.00 0.00 H new ATOM 305 N LEU A 23 -14.109 -0.440 -2.783 1.00 0.00 N ATOM 306 CA LEU A 23 -12.918 0.408 -2.611 1.00 0.00 C ATOM 307 C LEU A 23 -13.260 1.891 -2.826 1.00 0.00 C ATOM 308 O LEU A 23 -12.950 2.729 -1.981 1.00 0.00 O ATOM 309 CB LEU A 23 -11.795 -0.057 -3.562 1.00 0.00 C ATOM 310 CG LEU A 23 -11.311 -1.498 -3.322 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.335 -1.953 -4.410 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.562 -1.613 -1.994 1.00 0.00 C ATOM 0 H LEU A 23 -14.071 -1.022 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.561 0.305 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.148 0.028 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.946 0.620 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.207 -2.119 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.015 -2.975 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.828 -1.913 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.466 -1.295 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.232 -2.642 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.695 -0.952 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.224 -1.327 -1.177 1.00 0.00 H new ATOM 324 N ALA A 24 -13.967 2.226 -3.909 1.00 0.00 N ATOM 325 CA ALA A 24 -14.402 3.593 -4.212 1.00 0.00 C ATOM 326 C ALA A 24 -15.272 4.215 -3.102 1.00 0.00 C ATOM 327 O ALA A 24 -15.172 5.417 -2.841 1.00 0.00 O ATOM 328 CB ALA A 24 -15.153 3.557 -5.549 1.00 0.00 C ATOM 0 H ALA A 24 -14.258 1.545 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.523 4.234 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.491 4.562 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.488 3.189 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.015 2.895 -5.465 1.00 0.00 H new ATOM 334 N ALA A 25 -16.052 3.395 -2.391 1.00 0.00 N ATOM 335 CA ALA A 25 -16.882 3.810 -1.259 1.00 0.00 C ATOM 336 C ALA A 25 -16.095 4.320 -0.025 1.00 0.00 C ATOM 337 O ALA A 25 -16.686 5.001 0.817 1.00 0.00 O ATOM 338 CB ALA A 25 -17.795 2.629 -0.897 1.00 0.00 C ATOM 0 H ALA A 25 -16.125 2.398 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.460 4.680 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.429 2.904 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.419 2.376 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.185 1.767 -0.626 1.00 0.00 H new ATOM 344 N LEU A 26 -14.790 4.033 0.088 1.00 0.00 N ATOM 345 CA LEU A 26 -13.928 4.519 1.182 1.00 0.00 C ATOM 346 C LEU A 26 -12.710 5.346 0.718 1.00 0.00 C ATOM 347 O LEU A 26 -12.250 6.219 1.460 1.00 0.00 O ATOM 348 CB LEU A 26 -13.565 3.347 2.119 1.00 0.00 C ATOM 349 CG LEU A 26 -12.464 2.390 1.618 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.105 2.730 2.230 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.782 0.946 2.010 1.00 0.00 C ATOM 0 H LEU A 26 -14.294 3.449 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.506 5.245 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.250 3.760 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.467 2.764 2.304 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.428 2.502 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.353 2.036 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.827 3.748 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.164 2.649 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.993 0.288 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.847 0.870 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.733 0.650 1.568 1.00 0.00 H new ATOM 363 N LEU A 27 -12.222 5.139 -0.513 1.00 0.00 N ATOM 364 CA LEU A 27 -11.194 5.974 -1.162 1.00 0.00 C ATOM 365 C LEU A 27 -11.732 7.368 -1.540 1.00 0.00 C ATOM 366 O LEU A 27 -11.008 8.360 -1.432 1.00 0.00 O ATOM 367 CB LEU A 27 -10.688 5.239 -2.420 1.00 0.00 C ATOM 368 CG LEU A 27 -9.501 4.286 -2.204 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.645 3.294 -1.053 1.00 0.00 C ATOM 370 CD2 LEU A 27 -9.284 3.478 -3.479 1.00 0.00 C ATOM 0 H LEU A 27 -12.537 4.368 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.378 6.131 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.515 4.669 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.402 5.984 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.663 4.934 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.751 2.673 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.772 3.838 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.515 2.661 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.444 2.797 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.183 2.904 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.069 4.154 -4.306 1.00 0.00 H new ATOM 382 N GLY A 28 -12.997 7.450 -1.961 1.00 0.00 N ATOM 383 CA GLY A 28 -13.725 8.706 -2.201 1.00 0.00 C ATOM 384 C GLY A 28 -13.026 9.655 -3.185 1.00 0.00 C ATOM 385 O GLY A 28 -12.721 9.276 -4.317 1.00 0.00 O ATOM 0 H GLY A 28 -13.562 6.622 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.719 8.471 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.862 9.222 -1.251 1.00 0.00 H new ATOM 389 N LYS A 29 -12.746 10.890 -2.743 1.00 0.00 N ATOM 390 CA LYS A 29 -12.074 11.947 -3.526 1.00 0.00 C ATOM 391 C LYS A 29 -10.643 11.568 -3.953 1.00 0.00 C ATOM 392 O LYS A 29 -10.148 12.079 -4.959 1.00 0.00 O ATOM 393 CB LYS A 29 -12.035 13.261 -2.714 1.00 0.00 C ATOM 394 CG LYS A 29 -13.360 14.053 -2.657 1.00 0.00 C ATOM 395 CD LYS A 29 -14.484 13.371 -1.862 1.00 0.00 C ATOM 396 CE LYS A 29 -15.676 14.327 -1.725 1.00 0.00 C ATOM 397 NZ LYS A 29 -16.781 13.705 -0.947 1.00 0.00 N1+ ATOM 0 H LYS A 29 -12.988 11.194 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.658 12.077 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.729 13.027 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.266 13.906 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.164 15.031 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.708 14.226 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.796 12.456 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.121 13.083 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.354 15.245 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.037 14.605 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.572 14.375 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.103 12.842 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.441 13.462 0.005 1.00 0.00 H new ATOM 411 N GLU A 30 -9.994 10.669 -3.210 1.00 0.00 N ATOM 412 CA GLU A 30 -8.637 10.171 -3.468 1.00 0.00 C ATOM 413 C GLU A 30 -8.604 8.820 -4.215 1.00 0.00 C ATOM 414 O GLU A 30 -7.551 8.187 -4.310 1.00 0.00 O ATOM 415 CB GLU A 30 -7.822 10.151 -2.161 1.00 0.00 C ATOM 416 CG GLU A 30 -7.768 11.511 -1.435 1.00 0.00 C ATOM 417 CD GLU A 30 -7.359 12.693 -2.339 1.00 0.00 C ATOM 418 OE1 GLU A 30 -7.947 13.792 -2.202 1.00 0.00 O ATOM 419 OE2 GLU A 30 -6.433 12.542 -3.178 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.414 10.251 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.161 10.870 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.251 9.408 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.805 9.829 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.747 11.719 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.063 11.441 -0.606 1.00 0.00 H new ATOM 426 N PHE A 31 -9.735 8.373 -4.771 1.00 0.00 N ATOM 427 CA PHE A 31 -9.785 7.231 -5.693 1.00 0.00 C ATOM 428 C PHE A 31 -8.909 7.473 -6.943 1.00 0.00 C ATOM 429 O PHE A 31 -8.716 8.612 -7.375 1.00 0.00 O ATOM 430 CB PHE A 31 -11.249 6.931 -6.057 1.00 0.00 C ATOM 431 CG PHE A 31 -11.461 5.707 -6.928 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.551 4.431 -6.337 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.561 5.834 -8.326 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.763 3.293 -7.138 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.758 4.698 -9.127 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.869 3.428 -8.537 1.00 0.00 C ATOM 0 H PHE A 31 -10.647 8.795 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.369 6.354 -5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.817 6.804 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.664 7.798 -6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.457 4.326 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.486 6.809 -8.784 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.844 2.318 -6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.824 4.801 -10.200 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.035 2.557 -9.154 1.00 0.00 H new ATOM 446 N ILE A 32 -8.359 6.392 -7.517 1.00 0.00 N ATOM 447 CA ILE A 32 -7.389 6.443 -8.620 1.00 0.00 C ATOM 448 C ILE A 32 -7.933 7.156 -9.873 1.00 0.00 C ATOM 449 O ILE A 32 -9.141 7.156 -10.133 1.00 0.00 O ATOM 450 CB ILE A 32 -6.855 5.023 -8.925 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.496 4.989 -9.653 1.00 0.00 C ATOM 452 CG2 ILE A 32 -7.862 4.224 -9.771 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.355 5.629 -8.848 1.00 0.00 C ATOM 0 H ILE A 32 -8.580 5.441 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.550 7.058 -8.294 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.714 4.574 -7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.237 3.954 -9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.591 5.506 -10.608 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.462 3.230 -9.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.803 4.134 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.036 4.741 -10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.429 5.570 -9.420 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.592 6.674 -8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.233 5.098 -7.904 1.00 0.00 H new ATOM 722 N TRP A 56 7.174 -14.009 7.598 1.00 0.00 N ATOM 723 CA TRP A 56 6.174 -12.942 7.761 1.00 0.00 C ATOM 724 C TRP A 56 6.358 -11.806 6.740 1.00 0.00 C ATOM 725 O TRP A 56 5.376 -11.283 6.210 1.00 0.00 O ATOM 726 CB TRP A 56 6.249 -12.400 9.198 1.00 0.00 C ATOM 727 CG TRP A 56 7.553 -11.759 9.594 1.00 0.00 C ATOM 728 CD1 TRP A 56 8.579 -12.396 10.204 1.00 0.00 C ATOM 729 CD2 TRP A 56 8.027 -10.393 9.353 1.00 0.00 C ATOM 730 NE1 TRP A 56 9.659 -11.540 10.323 1.00 0.00 N ATOM 731 CE2 TRP A 56 9.388 -10.307 9.770 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.455 -9.224 8.789 1.00 0.00 C ATOM 733 CZ2 TRP A 56 10.160 -9.149 9.594 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.220 -8.044 8.626 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.574 -8.012 9.013 1.00 0.00 C ATOM 0 HA TRP A 56 5.188 -13.367 7.575 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.452 -11.669 9.331 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.047 -13.221 9.886 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.558 -13.420 10.547 1.00 0.00 H new ATOM 0 HE1 TRP A 56 10.544 -11.790 10.764 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.420 -9.234 8.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 11.195 -9.132 9.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.762 -7.162 8.202 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.159 -7.117 8.864 1.00 0.00 H new ATOM 746 N LYS A 57 7.611 -11.453 6.433 1.00 0.00 N ATOM 747 CA LYS A 57 7.970 -10.369 5.509 1.00 0.00 C ATOM 748 C LYS A 57 7.663 -10.741 4.057 1.00 0.00 C ATOM 749 O LYS A 57 7.132 -9.926 3.313 1.00 0.00 O ATOM 750 CB LYS A 57 9.444 -9.981 5.738 1.00 0.00 C ATOM 751 CG LYS A 57 10.453 -11.039 5.271 1.00 0.00 C ATOM 752 CD LYS A 57 11.812 -10.885 5.976 1.00 0.00 C ATOM 753 CE LYS A 57 12.880 -11.858 5.443 1.00 0.00 C ATOM 754 NZ LYS A 57 12.422 -13.266 5.444 1.00 0.00 N1+ ATOM 0 H LYS A 57 8.424 -11.924 6.829 1.00 0.00 H new ATOM 0 HA LYS A 57 7.356 -9.493 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.647 -9.046 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.598 -9.793 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.053 -12.034 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.592 -10.958 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.166 -9.862 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.681 -11.049 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.154 -11.570 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.780 -11.773 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.247 -13.899 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.863 -13.449 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.834 -13.440 4.604 1.00 0.00 H new ATOM 768 N ASP A 58 7.954 -11.984 3.678 1.00 0.00 N ATOM 769 CA ASP A 58 7.763 -12.507 2.323 1.00 0.00 C ATOM 770 C ASP A 58 6.277 -12.671 1.973 1.00 0.00 C ATOM 771 O ASP A 58 5.861 -12.294 0.876 1.00 0.00 O ATOM 772 CB ASP A 58 8.519 -13.834 2.173 1.00 0.00 C ATOM 773 CG ASP A 58 10.028 -13.678 2.408 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.753 -13.279 1.466 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.494 -13.951 3.537 1.00 0.00 O1- ATOM 0 H ASP A 58 8.340 -12.675 4.321 1.00 0.00 H new ATOM 0 HA ASP A 58 8.169 -11.783 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.117 -14.560 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.349 -14.235 1.174 1.00 0.00 H new ATOM 780 N ASP A 59 5.466 -13.185 2.903 1.00 0.00 N ATOM 781 CA ASP A 59 4.018 -13.337 2.706 1.00 0.00 C ATOM 782 C ASP A 59 3.323 -11.975 2.521 1.00 0.00 C ATOM 783 O ASP A 59 2.629 -11.755 1.524 1.00 0.00 O ATOM 784 CB ASP A 59 3.429 -14.122 3.891 1.00 0.00 C ATOM 785 CG ASP A 59 1.928 -14.441 3.766 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.362 -14.429 2.646 1.00 0.00 O ATOM 787 OD2 ASP A 59 1.303 -14.737 4.812 1.00 0.00 O1- ATOM 0 H ASP A 59 5.793 -13.508 3.814 1.00 0.00 H new ATOM 0 HA ASP A 59 3.841 -13.896 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.978 -15.057 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.591 -13.550 4.805 1.00 0.00 H new ATOM 792 N TYR A 60 3.563 -11.028 3.435 1.00 0.00 N ATOM 793 CA TYR A 60 2.961 -9.691 3.382 1.00 0.00 C ATOM 794 C TYR A 60 3.420 -8.878 2.153 1.00 0.00 C ATOM 795 O TYR A 60 2.596 -8.291 1.450 1.00 0.00 O ATOM 796 CB TYR A 60 3.278 -8.965 4.698 1.00 0.00 C ATOM 797 CG TYR A 60 2.641 -7.595 4.814 1.00 0.00 C ATOM 798 CD1 TYR A 60 1.267 -7.480 5.102 1.00 0.00 C ATOM 799 CD2 TYR A 60 3.429 -6.433 4.646 1.00 0.00 C ATOM 800 CE1 TYR A 60 0.676 -6.208 5.229 1.00 0.00 C ATOM 801 CE2 TYR A 60 2.837 -5.163 4.778 1.00 0.00 C ATOM 802 CZ TYR A 60 1.464 -5.043 5.078 1.00 0.00 C ATOM 803 OH TYR A 60 0.908 -3.813 5.223 1.00 0.00 O ATOM 0 H TYR A 60 4.182 -11.168 4.234 1.00 0.00 H new ATOM 0 HA TYR A 60 1.882 -9.795 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.943 -9.582 5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.359 -8.861 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.666 -8.369 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.481 -6.520 4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.379 -6.122 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.438 -4.275 4.649 1.00 0.00 H new ATOM 0 HH TYR A 60 1.582 -3.187 5.561 1.00 0.00 H new ATOM 813 N LEU A 61 4.720 -8.894 1.828 1.00 0.00 N ATOM 814 CA LEU A 61 5.248 -8.211 0.646 1.00 0.00 C ATOM 815 C LEU A 61 4.731 -8.827 -0.670 1.00 0.00 C ATOM 816 O LEU A 61 4.358 -8.087 -1.581 1.00 0.00 O ATOM 817 CB LEU A 61 6.781 -8.219 0.725 1.00 0.00 C ATOM 818 CG LEU A 61 7.500 -7.458 -0.401 1.00 0.00 C ATOM 819 CD1 LEU A 61 7.220 -5.955 -0.371 1.00 0.00 C ATOM 820 CD2 LEU A 61 9.009 -7.672 -0.278 1.00 0.00 C ATOM 0 H LEU A 61 5.430 -9.379 2.376 1.00 0.00 H new ATOM 0 HA LEU A 61 4.890 -7.181 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.082 -7.790 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.124 -9.254 0.718 1.00 0.00 H new ATOM 0 HG LEU A 61 7.119 -7.852 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.753 -5.469 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.150 -5.782 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.557 -5.541 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.519 -7.133 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.352 -7.300 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.233 -8.736 -0.358 1.00 0.00 H new ATOM 832 N SER A 62 4.638 -10.161 -0.753 1.00 0.00 N ATOM 833 CA SER A 62 4.040 -10.865 -1.903 1.00 0.00 C ATOM 834 C SER A 62 2.551 -10.524 -2.066 1.00 0.00 C ATOM 835 O SER A 62 2.113 -10.201 -3.171 1.00 0.00 O ATOM 836 CB SER A 62 4.239 -12.380 -1.760 1.00 0.00 C ATOM 837 OG SER A 62 3.665 -13.095 -2.847 1.00 0.00 O ATOM 0 H SER A 62 4.976 -10.788 -0.023 1.00 0.00 H new ATOM 0 HA SER A 62 4.551 -10.526 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.304 -12.602 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.791 -12.718 -0.826 1.00 0.00 H new ATOM 0 HG SER A 62 3.813 -14.056 -2.721 1.00 0.00 H new ATOM 843 N ARG A 63 1.786 -10.486 -0.967 1.00 0.00 N ATOM 844 CA ARG A 63 0.372 -10.069 -0.943 1.00 0.00 C ATOM 845 C ARG A 63 0.190 -8.652 -1.487 1.00 0.00 C ATOM 846 O ARG A 63 -0.646 -8.429 -2.363 1.00 0.00 O ATOM 847 CB ARG A 63 -0.172 -10.177 0.498 1.00 0.00 C ATOM 848 CG ARG A 63 -1.703 -10.083 0.616 1.00 0.00 C ATOM 849 CD ARG A 63 -2.465 -11.232 -0.066 1.00 0.00 C ATOM 850 NE ARG A 63 -1.966 -12.551 0.377 1.00 0.00 N ATOM 851 CZ ARG A 63 -2.403 -13.739 0.002 1.00 0.00 C ATOM 852 NH1 ARG A 63 -3.415 -13.889 -0.799 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -1.811 -14.817 0.431 1.00 0.00 N ATOM 0 H ARG A 63 2.138 -10.750 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.194 -10.735 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.154 -11.125 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.274 -9.386 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.973 -10.061 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.031 -9.138 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.528 -11.149 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.361 -11.147 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.198 -12.542 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.903 -13.071 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.721 -14.825 -1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.009 -14.744 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.149 -15.734 0.141 1.00 0.00 H new ATOM 867 N LEU A 64 1.012 -7.699 -1.043 1.00 0.00 N ATOM 868 CA LEU A 64 0.946 -6.325 -1.535 1.00 0.00 C ATOM 869 C LEU A 64 1.448 -6.177 -2.987 1.00 0.00 C ATOM 870 O LEU A 64 0.972 -5.281 -3.685 1.00 0.00 O ATOM 871 CB LEU A 64 1.670 -5.380 -0.566 1.00 0.00 C ATOM 872 CG LEU A 64 0.754 -4.813 0.538 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.198 -5.857 1.508 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.527 -3.773 1.342 1.00 0.00 C ATOM 0 H LEU A 64 1.734 -7.857 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.105 -6.039 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.499 -5.914 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.100 -4.553 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.104 -4.385 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.434 -5.366 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.391 -6.589 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.023 -6.361 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.886 -3.368 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.402 -4.240 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.847 -2.967 0.682 1.00 0.00 H new ATOM 886 N SER A 65 2.324 -7.052 -3.492 1.00 0.00 N ATOM 887 CA SER A 65 2.706 -7.034 -4.916 1.00 0.00 C ATOM 888 C SER A 65 1.571 -7.513 -5.836 1.00 0.00 C ATOM 889 O SER A 65 1.320 -6.902 -6.883 1.00 0.00 O ATOM 890 CB SER A 65 4.021 -7.801 -5.150 1.00 0.00 C ATOM 891 OG SER A 65 3.837 -9.200 -5.252 1.00 0.00 O ATOM 0 H SER A 65 2.782 -7.779 -2.943 1.00 0.00 H new ATOM 0 HA SER A 65 2.888 -5.994 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.491 -7.435 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.709 -7.590 -4.331 1.00 0.00 H new ATOM 0 HG SER A 65 3.236 -9.504 -4.540 1.00 0.00 H new ATOM 897 N ARG A 66 0.807 -8.531 -5.402 1.00 0.00 N ATOM 898 CA ARG A 66 -0.409 -9.060 -6.037 1.00 0.00 C ATOM 899 C ARG A 66 -1.566 -8.050 -6.053 1.00 0.00 C ATOM 900 O ARG A 66 -2.202 -7.877 -7.096 1.00 0.00 O ATOM 901 CB ARG A 66 -0.758 -10.346 -5.261 1.00 0.00 C ATOM 902 CG ARG A 66 -2.185 -10.864 -5.443 1.00 0.00 C ATOM 903 CD ARG A 66 -2.430 -12.011 -4.459 1.00 0.00 C ATOM 904 NE ARG A 66 -3.865 -12.341 -4.355 1.00 0.00 N ATOM 905 CZ ARG A 66 -4.632 -12.980 -5.217 1.00 0.00 C ATOM 906 NH1 ARG A 66 -4.163 -13.552 -6.291 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 -5.910 -13.059 -4.991 1.00 0.00 N ATOM 0 H ARG A 66 1.038 -9.036 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.235 -9.269 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.065 -11.131 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.590 -10.165 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.902 -10.061 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.332 -11.208 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.876 -12.892 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.047 -11.736 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.327 -12.033 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.164 -13.516 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.795 -14.035 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.308 -12.630 -4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.515 -13.550 -5.649 1.00 0.00 H new ATOM 921 N LEU A 67 -1.859 -7.414 -4.917 1.00 0.00 N ATOM 922 CA LEU A 67 -2.998 -6.500 -4.749 1.00 0.00 C ATOM 923 C LEU A 67 -2.867 -5.223 -5.606 1.00 0.00 C ATOM 924 O LEU A 67 -1.766 -4.732 -5.889 1.00 0.00 O ATOM 925 CB LEU A 67 -3.179 -6.172 -3.254 1.00 0.00 C ATOM 926 CG LEU A 67 -4.230 -7.016 -2.510 1.00 0.00 C ATOM 927 CD1 LEU A 67 -4.022 -8.528 -2.602 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.233 -6.627 -1.031 1.00 0.00 C ATOM 0 H LEU A 67 -1.302 -7.520 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.893 -7.005 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.219 -6.297 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.452 -5.121 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.178 -6.800 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.810 -9.038 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.055 -8.837 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.053 -8.788 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.976 -7.222 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.247 -6.812 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.478 -5.569 -0.933 1.00 0.00 H new ATOM 940 N SER A 68 -4.014 -4.673 -6.002 1.00 0.00 N ATOM 941 CA SER A 68 -4.142 -3.430 -6.776 1.00 0.00 C ATOM 942 C SER A 68 -3.741 -2.178 -5.973 1.00 0.00 C ATOM 943 O SER A 68 -3.834 -2.161 -4.743 1.00 0.00 O ATOM 944 CB SER A 68 -5.593 -3.314 -7.266 1.00 0.00 C ATOM 945 OG SER A 68 -5.817 -2.118 -7.991 1.00 0.00 O ATOM 0 H SER A 68 -4.917 -5.094 -5.786 1.00 0.00 H new ATOM 0 HA SER A 68 -3.452 -3.479 -7.618 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.831 -4.170 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.268 -3.351 -6.411 1.00 0.00 H new ATOM 0 HG SER A 68 -6.751 -2.084 -8.286 1.00 0.00 H new ATOM 951 N LYS A 69 -3.390 -1.082 -6.665 1.00 0.00 N ATOM 952 CA LYS A 69 -3.178 0.262 -6.087 1.00 0.00 C ATOM 953 C LYS A 69 -4.348 0.702 -5.189 1.00 0.00 C ATOM 954 O LYS A 69 -4.134 1.248 -4.104 1.00 0.00 O ATOM 955 CB LYS A 69 -2.949 1.238 -7.265 1.00 0.00 C ATOM 956 CG LYS A 69 -2.868 2.736 -6.920 1.00 0.00 C ATOM 957 CD LYS A 69 -1.811 3.100 -5.865 1.00 0.00 C ATOM 958 CE LYS A 69 -1.821 4.610 -5.600 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.921 5.367 -6.505 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.240 -1.104 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.307 0.253 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.023 0.954 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.756 1.098 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.657 3.293 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.844 3.065 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.011 2.560 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.824 2.791 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.838 4.985 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.525 4.793 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.228 6.360 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.053 5.321 -6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.957 4.951 -7.458 1.00 0.00 H new ATOM 973 N ASN A 70 -5.584 0.417 -5.603 1.00 0.00 N ATOM 974 CA ASN A 70 -6.799 0.717 -4.843 1.00 0.00 C ATOM 975 C ASN A 70 -6.922 -0.131 -3.558 1.00 0.00 C ATOM 976 O ASN A 70 -7.297 0.383 -2.502 1.00 0.00 O ATOM 977 CB ASN A 70 -8.021 0.536 -5.764 1.00 0.00 C ATOM 978 CG ASN A 70 -7.968 1.419 -6.994 1.00 0.00 C ATOM 979 OD1 ASN A 70 -8.640 2.544 -6.971 1.00 0.00 O flip ATOM 980 ND2 ASN A 70 -7.328 1.111 -7.991 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.772 -0.039 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.748 1.752 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.085 -0.507 -6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.929 0.758 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.804 0.236 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.318 1.730 -8.802 1.00 0.00 H new ATOM 987 N GLN A 71 -6.547 -1.413 -3.631 1.00 0.00 N ATOM 988 CA GLN A 71 -6.514 -2.326 -2.478 1.00 0.00 C ATOM 989 C GLN A 71 -5.419 -1.955 -1.467 1.00 0.00 C ATOM 990 O GLN A 71 -5.667 -1.971 -0.262 1.00 0.00 O ATOM 991 CB GLN A 71 -6.330 -3.767 -2.985 1.00 0.00 C ATOM 992 CG GLN A 71 -7.580 -4.305 -3.706 1.00 0.00 C ATOM 993 CD GLN A 71 -7.359 -5.711 -4.262 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.516 -5.928 -5.123 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.084 -6.706 -3.799 1.00 0.00 N ATOM 0 H GLN A 71 -6.254 -1.853 -4.503 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.461 -2.239 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.479 -3.803 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.093 -4.417 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.421 -4.317 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.847 -3.631 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.788 -6.533 -3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.942 -7.650 -4.157 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.239 -1.545 -1.940 1.00 0.00 N ATOM 1005 CA LEU A 72 -3.139 -1.031 -1.109 1.00 0.00 C ATOM 1006 C LEU A 72 -3.529 0.236 -0.330 1.00 0.00 C ATOM 1007 O LEU A 72 -3.200 0.334 0.853 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.899 -0.785 -1.990 1.00 0.00 C ATOM 1009 CG LEU A 72 -0.914 -1.964 -1.992 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -1.546 -3.301 -2.365 1.00 0.00 C ATOM 1011 CD2 LEU A 72 0.211 -1.709 -2.995 1.00 0.00 C ATOM 0 H LEU A 72 -4.013 -1.560 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.905 -1.786 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.221 -0.587 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.384 0.110 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.550 -2.030 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.786 -4.082 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.334 -3.542 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.971 -3.236 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.903 -2.551 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.211 -1.595 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.744 -0.799 -2.720 1.00 0.00 H new ATOM 1023 N MET A 73 -4.270 1.166 -0.939 1.00 0.00 N ATOM 1024 CA MET A 73 -4.848 2.308 -0.213 1.00 0.00 C ATOM 1025 C MET A 73 -5.818 1.856 0.891 1.00 0.00 C ATOM 1026 O MET A 73 -5.726 2.336 2.021 1.00 0.00 O ATOM 1027 CB MET A 73 -5.555 3.273 -1.182 1.00 0.00 C ATOM 1028 CG MET A 73 -4.548 4.109 -1.979 1.00 0.00 C ATOM 1029 SD MET A 73 -5.281 5.465 -2.933 1.00 0.00 S ATOM 1030 CE MET A 73 -5.864 4.589 -4.407 1.00 0.00 C ATOM 0 H MET A 73 -4.486 1.153 -1.936 1.00 0.00 H new ATOM 0 HA MET A 73 -4.022 2.833 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.182 2.705 -1.869 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.215 3.935 -0.621 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.813 4.523 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.009 3.452 -2.662 1.00 0.00 H new ATOM 0 HE1 MET A 73 -6.143 5.312 -5.174 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.070 3.946 -4.786 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.731 3.981 -4.150 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.716 0.910 0.591 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.742 0.477 1.537 1.00 0.00 C ATOM 1042 C ALA A 74 -7.186 -0.345 2.719 1.00 0.00 C ATOM 1043 O ALA A 74 -7.562 -0.073 3.861 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.817 -0.281 0.760 1.00 0.00 C ATOM 0 H ALA A 74 -6.749 0.429 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.175 1.360 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.595 -0.615 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.254 0.376 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.370 -1.146 0.270 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.286 -1.312 2.484 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.701 -2.128 3.566 1.00 0.00 C ATOM 1052 C LEU A 75 -4.868 -1.280 4.537 1.00 0.00 C ATOM 1053 O LEU A 75 -4.918 -1.491 5.752 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.931 -3.341 2.983 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.506 -3.077 2.438 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.421 -3.329 3.491 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.198 -4.000 1.258 1.00 0.00 C ATOM 0 H LEU A 75 -5.945 -1.551 1.553 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.513 -2.536 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.860 -4.102 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.529 -3.765 2.176 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.494 -2.029 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.441 -3.130 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.582 -2.670 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.468 -4.367 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.192 -3.798 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.264 -5.039 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.918 -3.822 0.459 1.00 0.00 H new ATOM 1069 N ALA A 76 -4.145 -0.281 4.018 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.362 0.661 4.811 1.00 0.00 C ATOM 1071 C ALA A 76 -4.254 1.582 5.659 1.00 0.00 C ATOM 1072 O ALA A 76 -4.010 1.738 6.857 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.468 1.467 3.860 1.00 0.00 C ATOM 0 H ALA A 76 -4.090 -0.105 3.015 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.745 0.107 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.874 2.178 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.804 0.790 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.090 2.007 3.146 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.312 2.156 5.072 1.00 0.00 N ATOM 1080 CA LEU A 77 -6.265 3.017 5.781 1.00 0.00 C ATOM 1081 C LEU A 77 -6.975 2.226 6.899 1.00 0.00 C ATOM 1082 O LEU A 77 -7.047 2.698 8.036 1.00 0.00 O ATOM 1083 CB LEU A 77 -7.233 3.635 4.748 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.944 4.948 5.127 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.935 4.827 6.285 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -6.955 6.077 5.440 1.00 0.00 C ATOM 0 H LEU A 77 -5.532 2.034 4.083 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.752 3.838 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.675 3.810 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.998 2.893 4.520 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.517 5.192 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.386 5.800 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.714 4.111 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.412 4.484 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.505 6.981 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.321 5.784 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.335 6.270 4.565 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.399 0.987 6.617 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.979 0.059 7.605 1.00 0.00 C ATOM 1100 C LYS A 78 -7.045 -0.207 8.785 1.00 0.00 C ATOM 1101 O LYS A 78 -7.438 0.055 9.923 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.367 -1.262 6.921 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.721 -1.176 6.205 1.00 0.00 C ATOM 1104 CD LYS A 78 -9.945 -2.449 5.378 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.409 -2.652 4.974 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.244 -3.012 6.147 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.349 0.591 5.678 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.870 0.538 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.595 -1.535 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.403 -2.057 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.523 -1.057 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.747 -0.300 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.329 -2.405 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.610 -3.312 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.793 -1.740 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.476 -3.438 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.137 -3.435 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.733 -3.697 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.448 -2.157 6.703 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.818 -0.691 8.545 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.888 -1.044 9.628 1.00 0.00 C ATOM 1122 C LEU A 79 -4.416 0.172 10.444 1.00 0.00 C ATOM 1123 O LEU A 79 -4.134 0.023 11.637 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.753 -1.947 9.101 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.631 -1.284 8.281 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.538 -0.657 9.152 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.944 -2.343 7.413 1.00 0.00 C ATOM 0 H LEU A 79 -5.446 -0.847 7.608 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.435 -1.639 10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.295 -2.443 9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.203 -2.726 8.485 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.108 -0.500 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.778 -0.207 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.977 0.110 9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.081 -1.428 9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.149 -1.877 6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.520 -3.118 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.674 -2.789 6.738 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.391 1.372 9.846 1.00 0.00 N ATOM 1140 CA LYS A 80 -4.148 2.656 10.523 1.00 0.00 C ATOM 1141 C LYS A 80 -5.337 3.072 11.403 1.00 0.00 C ATOM 1142 O LYS A 80 -5.147 3.431 12.563 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.832 3.725 9.455 1.00 0.00 C ATOM 1144 CG LYS A 80 -3.603 5.151 9.997 1.00 0.00 C ATOM 1145 CD LYS A 80 -2.401 5.294 10.947 1.00 0.00 C ATOM 1146 CE LYS A 80 -1.046 4.970 10.292 1.00 0.00 C ATOM 1147 NZ LYS A 80 -0.659 5.984 9.271 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.545 1.480 8.843 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.296 2.551 11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.942 3.415 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.654 3.754 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.464 5.827 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.503 5.475 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.373 6.314 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.547 4.635 11.803 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.275 4.919 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.096 3.987 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.701 5.556 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.315 6.790 9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.309 6.314 9.459 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.562 2.981 10.887 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.773 3.445 11.575 1.00 0.00 C ATOM 1163 C GLN A 81 -8.103 2.591 12.812 1.00 0.00 C ATOM 1164 O GLN A 81 -8.501 3.122 13.853 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.938 3.461 10.569 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.221 4.074 11.152 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.210 4.501 10.068 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -11.610 5.659 9.966 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.629 3.608 9.193 1.00 0.00 N ATOM 0 H GLN A 81 -6.747 2.578 9.968 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.601 4.455 11.948 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.641 4.025 9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.144 2.442 10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.699 3.349 11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.962 4.938 11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.310 2.641 9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.272 3.884 8.451 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.893 1.276 12.714 1.00 0.00 N ATOM 1179 CA GLN A 82 -8.141 0.337 13.806 1.00 0.00 C ATOM 1180 C GLN A 82 -7.052 0.351 14.897 1.00 0.00 C ATOM 1181 O GLN A 82 -7.364 0.014 16.040 1.00 0.00 O ATOM 1182 CB GLN A 82 -8.383 -1.069 13.223 1.00 0.00 C ATOM 1183 CG GLN A 82 -7.141 -1.734 12.600 1.00 0.00 C ATOM 1184 CD GLN A 82 -6.267 -2.484 13.607 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -6.730 -3.233 14.456 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.968 -2.303 13.561 1.00 0.00 N ATOM 0 H GLN A 82 -7.543 0.831 11.866 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.040 0.663 14.328 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.764 -1.714 14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.162 -1.003 12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.464 -2.430 11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.539 -0.969 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.564 -1.682 12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.362 -2.783 14.226 1.00 0.00 H new ATOM 1403 N GLU B 111 9.185 6.221 8.156 1.00 0.00 N ATOM 1404 CA GLU B 111 9.376 5.657 6.813 1.00 0.00 C ATOM 1405 C GLU B 111 8.718 6.505 5.712 1.00 0.00 C ATOM 1406 O GLU B 111 9.234 6.541 4.595 1.00 0.00 O ATOM 1407 CB GLU B 111 8.919 4.190 6.761 1.00 0.00 C ATOM 1408 CG GLU B 111 7.443 3.886 7.104 1.00 0.00 C ATOM 1409 CD GLU B 111 7.161 3.979 8.616 1.00 0.00 C ATOM 1410 OE1 GLU B 111 7.385 2.980 9.340 1.00 0.00 O ATOM 1411 OE2 GLU B 111 6.753 5.071 9.082 1.00 0.00 O1- ATOM 0 HA GLU B 111 10.446 5.681 6.607 1.00 0.00 H new ATOM 0 HB2 GLU B 111 9.115 3.813 5.757 1.00 0.00 H new ATOM 0 HB3 GLU B 111 9.547 3.618 7.444 1.00 0.00 H new ATOM 0 HG2 GLU B 111 6.798 4.586 6.573 1.00 0.00 H new ATOM 0 HG3 GLU B 111 7.189 2.887 6.750 1.00 0.00 H new ATOM 1418 N LEU B 112 7.641 7.251 6.007 1.00 0.00 N ATOM 1419 CA LEU B 112 7.000 8.154 5.037 1.00 0.00 C ATOM 1420 C LEU B 112 7.967 9.262 4.577 1.00 0.00 C ATOM 1421 O LEU B 112 7.993 9.599 3.391 1.00 0.00 O ATOM 1422 CB LEU B 112 5.722 8.785 5.645 1.00 0.00 C ATOM 1423 CG LEU B 112 4.421 7.955 5.624 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.980 7.596 4.209 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.497 6.665 6.441 1.00 0.00 C ATOM 0 H LEU B 112 7.191 7.245 6.922 1.00 0.00 H new ATOM 0 HA LEU B 112 6.724 7.560 4.166 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.938 9.041 6.682 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.529 9.720 5.119 1.00 0.00 H new ATOM 0 HG LEU B 112 3.686 8.614 6.086 1.00 0.00 H new ATOM 0 HD11 LEU B 112 3.060 7.012 4.252 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.804 8.509 3.640 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.760 7.010 3.723 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.545 6.137 6.377 1.00 0.00 H new ATOM 0 HD22 LEU B 112 5.291 6.031 6.046 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.709 6.906 7.483 1.00 0.00 H new ATOM 1437 N SER B 113 8.794 9.795 5.482 1.00 0.00 N ATOM 1438 CA SER B 113 9.831 10.787 5.155 1.00 0.00 C ATOM 1439 C SER B 113 10.975 10.187 4.324 1.00 0.00 C ATOM 1440 O SER B 113 11.478 10.818 3.393 1.00 0.00 O ATOM 1441 CB SER B 113 10.374 11.395 6.448 1.00 0.00 C ATOM 1442 OG SER B 113 11.264 12.462 6.182 1.00 0.00 O ATOM 0 H SER B 113 8.765 9.550 6.472 1.00 0.00 H new ATOM 0 HA SER B 113 9.371 11.562 4.542 1.00 0.00 H new ATOM 0 HB2 SER B 113 9.546 11.754 7.059 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.887 10.626 7.026 1.00 0.00 H new ATOM 0 HG SER B 113 11.594 12.832 7.028 1.00 0.00 H new ATOM 1448 N GLU B 114 11.364 8.938 4.611 1.00 0.00 N ATOM 1449 CA GLU B 114 12.437 8.233 3.895 1.00 0.00 C ATOM 1450 C GLU B 114 12.044 7.860 2.452 1.00 0.00 C ATOM 1451 O GLU B 114 12.749 8.225 1.508 1.00 0.00 O ATOM 1452 CB GLU B 114 12.864 6.995 4.708 1.00 0.00 C ATOM 1453 CG GLU B 114 14.024 6.248 4.038 1.00 0.00 C ATOM 1454 CD GLU B 114 14.586 5.116 4.918 1.00 0.00 C ATOM 1455 OE1 GLU B 114 15.831 5.003 5.040 1.00 0.00 O ATOM 1456 OE2 GLU B 114 13.801 4.294 5.449 1.00 0.00 O1- ATOM 0 H GLU B 114 10.939 8.383 5.354 1.00 0.00 H new ATOM 0 HA GLU B 114 13.285 8.911 3.801 1.00 0.00 H new ATOM 0 HB2 GLU B 114 13.160 7.303 5.711 1.00 0.00 H new ATOM 0 HB3 GLU B 114 12.014 6.322 4.819 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.684 5.831 3.090 1.00 0.00 H new ATOM 0 HG3 GLU B 114 14.822 6.954 3.808 1.00 0.00 H new ATOM 1463 N ILE B 115 10.910 7.172 2.280 1.00 0.00 N ATOM 1464 CA ILE B 115 10.409 6.627 0.998 1.00 0.00 C ATOM 1465 C ILE B 115 10.132 7.715 -0.065 1.00 0.00 C ATOM 1466 O ILE B 115 10.240 7.453 -1.266 1.00 0.00 O ATOM 1467 CB ILE B 115 9.164 5.750 1.293 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.526 4.462 2.083 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.374 5.366 0.036 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.494 3.507 1.379 1.00 0.00 C ATOM 0 H ILE B 115 10.284 6.967 3.059 1.00 0.00 H new ATOM 0 HA ILE B 115 11.190 6.012 0.551 1.00 0.00 H new ATOM 0 HB ILE B 115 8.524 6.382 1.909 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.961 4.753 3.039 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.606 3.921 2.304 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.518 4.753 0.318 1.00 0.00 H new ATOM 0 HG22 ILE B 115 8.025 6.269 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE B 115 9.017 4.802 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.679 2.642 2.016 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.058 3.177 0.436 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.435 4.022 1.183 1.00 0.00 H new ATOM 1482 N GLU B 116 9.813 8.946 0.349 1.00 0.00 N ATOM 1483 CA GLU B 116 9.691 10.106 -0.547 1.00 0.00 C ATOM 1484 C GLU B 116 11.056 10.660 -1.029 1.00 0.00 C ATOM 1485 O GLU B 116 11.111 11.332 -2.061 1.00 0.00 O ATOM 1486 CB GLU B 116 8.885 11.209 0.153 1.00 0.00 C ATOM 1487 CG GLU B 116 7.397 10.837 0.264 1.00 0.00 C ATOM 1488 CD GLU B 116 6.539 11.931 0.932 1.00 0.00 C ATOM 1489 OE1 GLU B 116 5.306 11.732 1.049 1.00 0.00 O ATOM 1490 OE2 GLU B 116 7.053 13.013 1.318 1.00 0.00 O1- ATOM 0 H GLU B 116 9.630 9.170 1.327 1.00 0.00 H new ATOM 0 HA GLU B 116 9.171 9.765 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.293 11.383 1.149 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.987 12.142 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU B 116 7.005 10.637 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU B 116 7.303 9.913 0.835 1.00 0.00 H new ATOM 1497 N GLY B 117 12.151 10.391 -0.309 1.00 0.00 N ATOM 1498 CA GLY B 117 13.502 10.878 -0.624 1.00 0.00 C ATOM 1499 C GLY B 117 14.334 9.925 -1.494 1.00 0.00 C ATOM 1500 O GLY B 117 15.005 10.372 -2.431 1.00 0.00 O ATOM 0 H GLY B 117 12.123 9.813 0.531 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.419 11.837 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY B 117 14.036 11.059 0.309 1.00 0.00 H new ATOM 1504 N LEU B 118 14.292 8.622 -1.205 1.00 0.00 N ATOM 1505 CA LEU B 118 15.030 7.579 -1.940 1.00 0.00 C ATOM 1506 C LEU B 118 14.423 7.261 -3.323 1.00 0.00 C ATOM 1507 O LEU B 118 13.292 7.652 -3.621 1.00 0.00 O ATOM 1508 CB LEU B 118 15.247 6.361 -1.017 1.00 0.00 C ATOM 1509 CG LEU B 118 14.022 5.634 -0.433 1.00 0.00 C ATOM 1510 CD1 LEU B 118 13.157 4.905 -1.464 1.00 0.00 C ATOM 1511 CD2 LEU B 118 14.512 4.602 0.583 1.00 0.00 C ATOM 0 H LEU B 118 13.733 8.249 -0.437 1.00 0.00 H new ATOM 0 HA LEU B 118 16.018 7.956 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.830 5.627 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.864 6.689 -0.180 1.00 0.00 H new ATOM 0 HG LEU B 118 13.394 6.408 0.009 1.00 0.00 H new ATOM 0 HD11 LEU B 118 12.319 4.423 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.779 5.621 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.756 4.151 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU B 118 13.657 4.076 1.008 1.00 0.00 H new ATOM 0 HD22 LEU B 118 15.168 3.887 0.087 1.00 0.00 H new ATOM 0 HD23 LEU B 118 15.060 5.107 1.379 1.00 0.00 H new ATOM 1523 N GLN B 119 15.197 6.591 -4.187 1.00 0.00 N ATOM 1524 CA GLN B 119 14.841 6.320 -5.596 1.00 0.00 C ATOM 1525 C GLN B 119 14.464 4.851 -5.864 1.00 0.00 C ATOM 1526 O GLN B 119 14.570 3.991 -4.987 1.00 0.00 O ATOM 1527 CB GLN B 119 15.937 6.842 -6.539 1.00 0.00 C ATOM 1528 CG GLN B 119 17.252 6.047 -6.517 1.00 0.00 C ATOM 1529 CD GLN B 119 18.436 6.960 -6.214 1.00 0.00 C ATOM 1530 OE1 GLN B 119 19.117 7.478 -7.094 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.688 7.226 -4.953 1.00 0.00 N ATOM 0 H GLN B 119 16.107 6.212 -3.926 1.00 0.00 H new ATOM 0 HA GLN B 119 13.928 6.875 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.548 6.842 -7.557 1.00 0.00 H new ATOM 0 HB3 GLN B 119 16.153 7.879 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.193 5.260 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.402 5.558 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN B 119 18.124 6.797 -4.219 1.00 0.00 H new ATOM 0 HE22 GLN B 119 19.447 7.861 -4.708 1.00 0.00 H new ATOM 1540 N ASP B 120 14.032 4.537 -7.091 1.00 0.00 N ATOM 1541 CA ASP B 120 13.605 3.187 -7.499 1.00 0.00 C ATOM 1542 C ASP B 120 14.680 2.096 -7.336 1.00 0.00 C ATOM 1543 O ASP B 120 14.340 0.950 -7.051 1.00 0.00 O ATOM 1544 CB ASP B 120 13.054 3.197 -8.939 1.00 0.00 C ATOM 1545 CG ASP B 120 14.024 3.638 -10.061 1.00 0.00 C ATOM 1546 OD1 ASP B 120 15.133 4.158 -9.787 1.00 0.00 O ATOM 1547 OD2 ASP B 120 13.654 3.471 -11.248 1.00 0.00 O1- ATOM 0 H ASP B 120 13.967 5.223 -7.843 1.00 0.00 H new ATOM 0 HA ASP B 120 12.810 2.917 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP B 120 12.700 2.193 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.185 3.855 -8.964 1.00 0.00 H new ATOM 1552 N ASP B 121 15.966 2.433 -7.436 1.00 0.00 N ATOM 1553 CA ASP B 121 17.082 1.525 -7.158 1.00 0.00 C ATOM 1554 C ASP B 121 17.171 1.140 -5.666 1.00 0.00 C ATOM 1555 O ASP B 121 17.500 0.003 -5.323 1.00 0.00 O ATOM 1556 CB ASP B 121 18.378 2.209 -7.617 1.00 0.00 C ATOM 1557 CG ASP B 121 19.609 1.278 -7.600 1.00 0.00 C ATOM 1558 OD1 ASP B 121 19.484 0.061 -7.884 1.00 0.00 O ATOM 1559 OD2 ASP B 121 20.734 1.785 -7.366 1.00 0.00 O1- ATOM 0 H ASP B 121 16.269 3.365 -7.719 1.00 0.00 H new ATOM 0 HA ASP B 121 16.922 0.595 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.238 2.593 -8.627 1.00 0.00 H new ATOM 0 HB3 ASP B 121 18.573 3.067 -6.974 1.00 0.00 H new ATOM 1564 N ASP B 122 16.816 2.063 -4.763 1.00 0.00 N ATOM 1565 CA ASP B 122 16.753 1.834 -3.315 1.00 0.00 C ATOM 1566 C ASP B 122 15.481 1.063 -2.915 1.00 0.00 C ATOM 1567 O ASP B 122 15.519 0.260 -1.979 1.00 0.00 O ATOM 1568 CB ASP B 122 16.806 3.166 -2.551 1.00 0.00 C ATOM 1569 CG ASP B 122 17.953 4.097 -2.974 1.00 0.00 C ATOM 1570 OD1 ASP B 122 19.123 3.644 -3.050 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.688 5.302 -3.208 1.00 0.00 O1- ATOM 0 H ASP B 122 16.558 3.014 -5.027 1.00 0.00 H new ATOM 0 HA ASP B 122 17.620 1.229 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.860 3.689 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.899 2.956 -1.486 1.00 0.00 H new ATOM 1576 N LEU B 123 14.369 1.259 -3.638 1.00 0.00 N ATOM 1577 CA LEU B 123 13.162 0.438 -3.502 1.00 0.00 C ATOM 1578 C LEU B 123 13.431 -1.008 -3.945 1.00 0.00 C ATOM 1579 O LEU B 123 13.133 -1.945 -3.201 1.00 0.00 O ATOM 1580 CB LEU B 123 11.989 1.054 -4.297 1.00 0.00 C ATOM 1581 CG LEU B 123 11.547 2.446 -3.801 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.533 3.081 -4.753 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.872 2.386 -2.431 1.00 0.00 C ATOM 0 H LEU B 123 14.283 1.997 -4.337 1.00 0.00 H new ATOM 0 HA LEU B 123 12.881 0.418 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.276 1.129 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.137 0.376 -4.248 1.00 0.00 H new ATOM 0 HG LEU B 123 12.463 3.035 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.242 4.061 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU B 123 10.981 3.192 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.652 2.443 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.579 3.390 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.987 1.752 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.568 1.973 -1.700 1.00 0.00 H new ATOM 1595 N ALA B 124 14.071 -1.214 -5.101 1.00 0.00 N ATOM 1596 CA ALA B 124 14.448 -2.543 -5.595 1.00 0.00 C ATOM 1597 C ALA B 124 15.388 -3.306 -4.636 1.00 0.00 C ATOM 1598 O ALA B 124 15.280 -4.529 -4.513 1.00 0.00 O ATOM 1599 CB ALA B 124 15.080 -2.388 -6.984 1.00 0.00 C ATOM 0 H ALA B 124 14.345 -0.456 -5.726 1.00 0.00 H new ATOM 0 HA ALA B 124 13.545 -3.150 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.366 -3.368 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.360 -1.931 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA B 124 15.964 -1.754 -6.913 1.00 0.00 H new ATOM 1605 N ALA B 125 16.251 -2.590 -3.905 1.00 0.00 N ATOM 1606 CA ALA B 125 17.162 -3.167 -2.910 1.00 0.00 C ATOM 1607 C ALA B 125 16.458 -3.787 -1.680 1.00 0.00 C ATOM 1608 O ALA B 125 17.089 -4.582 -0.979 1.00 0.00 O ATOM 1609 CB ALA B 125 18.167 -2.085 -2.496 1.00 0.00 C ATOM 0 H ALA B 125 16.337 -1.577 -3.990 1.00 0.00 H new ATOM 0 HA ALA B 125 17.670 -4.010 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA B 125 18.855 -2.492 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.728 -1.756 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.633 -1.237 -2.067 1.00 0.00 H new ATOM 1615 N LEU B 126 15.176 -3.467 -1.422 1.00 0.00 N ATOM 1616 CA LEU B 126 14.388 -4.057 -0.322 1.00 0.00 C ATOM 1617 C LEU B 126 13.119 -4.817 -0.776 1.00 0.00 C ATOM 1618 O LEU B 126 12.690 -5.744 -0.086 1.00 0.00 O ATOM 1619 CB LEU B 126 14.135 -2.996 0.771 1.00 0.00 C ATOM 1620 CG LEU B 126 13.004 -1.985 0.472 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.712 -2.400 1.179 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.369 -0.589 0.977 1.00 0.00 C ATOM 0 H LEU B 126 14.654 -2.787 -1.975 1.00 0.00 H new ATOM 0 HA LEU B 126 14.989 -4.852 0.120 1.00 0.00 H new ATOM 0 HB2 LEU B 126 13.901 -3.510 1.704 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.059 -2.442 0.935 1.00 0.00 H new ATOM 0 HG LEU B 126 12.866 -1.972 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.927 -1.677 0.957 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.406 -3.386 0.829 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.881 -2.433 2.255 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.557 0.103 0.754 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.531 -0.623 2.054 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.280 -0.250 0.483 1.00 0.00 H new ATOM 1634 N LEU B 127 12.546 -4.486 -1.940 1.00 0.00 N ATOM 1635 CA LEU B 127 11.468 -5.258 -2.579 1.00 0.00 C ATOM 1636 C LEU B 127 11.974 -6.579 -3.186 1.00 0.00 C ATOM 1637 O LEU B 127 11.266 -7.588 -3.164 1.00 0.00 O ATOM 1638 CB LEU B 127 10.804 -4.398 -3.676 1.00 0.00 C ATOM 1639 CG LEU B 127 9.609 -3.560 -3.198 1.00 0.00 C ATOM 1640 CD1 LEU B 127 9.884 -2.686 -1.980 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.148 -2.638 -4.324 1.00 0.00 C ATOM 0 H LEU B 127 12.821 -3.662 -2.474 1.00 0.00 H new ATOM 0 HA LEU B 127 10.742 -5.515 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.554 -3.729 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.472 -5.053 -4.481 1.00 0.00 H new ATOM 0 HG LEU B 127 8.852 -4.289 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.982 -2.133 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.181 -3.315 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.686 -1.984 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.300 -2.044 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.965 -1.975 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.850 -3.236 -5.185 1.00 0.00 H new ATOM 1653 N GLY B 128 13.204 -6.585 -3.714 1.00 0.00 N ATOM 1654 CA GLY B 128 13.889 -7.775 -4.234 1.00 0.00 C ATOM 1655 C GLY B 128 13.096 -8.497 -5.334 1.00 0.00 C ATOM 1656 O GLY B 128 12.719 -7.892 -6.340 1.00 0.00 O ATOM 0 H GLY B 128 13.766 -5.738 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY B 128 14.862 -7.483 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.073 -8.468 -3.413 1.00 0.00 H new ATOM 1660 N LYS B 129 12.821 -9.794 -5.134 1.00 0.00 N ATOM 1661 CA LYS B 129 12.054 -10.647 -6.067 1.00 0.00 C ATOM 1662 C LYS B 129 10.607 -10.186 -6.272 1.00 0.00 C ATOM 1663 O LYS B 129 10.000 -10.521 -7.294 1.00 0.00 O ATOM 1664 CB LYS B 129 12.066 -12.102 -5.557 1.00 0.00 C ATOM 1665 CG LYS B 129 13.455 -12.744 -5.375 1.00 0.00 C ATOM 1666 CD LYS B 129 14.271 -12.801 -6.675 1.00 0.00 C ATOM 1667 CE LYS B 129 15.598 -13.520 -6.419 1.00 0.00 C ATOM 1668 NZ LYS B 129 16.396 -13.637 -7.669 1.00 0.00 N1+ ATOM 0 H LYS B 129 13.131 -10.295 -4.301 1.00 0.00 H new ATOM 0 HA LYS B 129 12.544 -10.570 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS B 129 11.545 -12.135 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS B 129 11.493 -12.715 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.013 -12.180 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS B 129 13.333 -13.755 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS B 129 13.706 -13.323 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS B 129 14.458 -11.792 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS B 129 16.171 -12.975 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS B 129 15.404 -14.513 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 17.290 -14.128 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 15.857 -14.177 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 16.600 -12.687 -8.041 1.00 0.00 H new ATOM 1682 N GLU B 130 10.048 -9.413 -5.332 1.00 0.00 N ATOM 1683 CA GLU B 130 8.673 -8.890 -5.383 1.00 0.00 C ATOM 1684 C GLU B 130 8.548 -7.524 -6.098 1.00 0.00 C ATOM 1685 O GLU B 130 7.448 -6.971 -6.185 1.00 0.00 O ATOM 1686 CB GLU B 130 8.079 -8.838 -3.965 1.00 0.00 C ATOM 1687 CG GLU B 130 8.243 -10.115 -3.121 1.00 0.00 C ATOM 1688 CD GLU B 130 7.881 -11.421 -3.860 1.00 0.00 C ATOM 1689 OE1 GLU B 130 8.653 -12.405 -3.748 1.00 0.00 O ATOM 1690 OE2 GLU B 130 6.814 -11.490 -4.521 1.00 0.00 O1- ATOM 0 H GLU B 130 10.551 -9.126 -4.493 1.00 0.00 H new ATOM 0 HA GLU B 130 8.096 -9.584 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU B 130 8.541 -8.009 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.016 -8.613 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU B 130 9.276 -10.180 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.618 -10.030 -2.232 1.00 0.00 H new ATOM 1697 N PHE B 131 9.648 -6.958 -6.617 1.00 0.00 N ATOM 1698 CA PHE B 131 9.653 -5.684 -7.353 1.00 0.00 C ATOM 1699 C PHE B 131 8.795 -5.731 -8.636 1.00 0.00 C ATOM 1700 O PHE B 131 8.656 -6.776 -9.277 1.00 0.00 O ATOM 1701 CB PHE B 131 11.108 -5.279 -7.641 1.00 0.00 C ATOM 1702 CG PHE B 131 11.283 -3.900 -8.249 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.403 -2.767 -7.424 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.331 -3.745 -9.649 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.583 -1.491 -7.991 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.476 -2.464 -10.220 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.613 -1.340 -9.389 1.00 0.00 C ATOM 0 H PHE B 131 10.574 -7.379 -6.536 1.00 0.00 H new ATOM 0 HA PHE B 131 9.186 -4.922 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.672 -5.323 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.547 -6.015 -8.315 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.357 -2.876 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.256 -4.612 -10.288 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.698 -0.628 -7.352 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.482 -2.347 -11.294 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.741 -0.360 -9.824 1.00 0.00 H new ATOM 1717 N ILE B 132 8.202 -4.595 -9.023 1.00 0.00 N ATOM 1718 CA ILE B 132 7.256 -4.508 -10.149 1.00 0.00 C ATOM 1719 C ILE B 132 7.926 -4.781 -11.516 1.00 0.00 C ATOM 1720 O ILE B 132 9.080 -4.414 -11.744 1.00 0.00 O ATOM 1721 CB ILE B 132 6.495 -3.155 -10.106 1.00 0.00 C ATOM 1722 CG1 ILE B 132 5.063 -3.256 -10.671 1.00 0.00 C ATOM 1723 CG2 ILE B 132 7.233 -2.031 -10.859 1.00 0.00 C ATOM 1724 CD1 ILE B 132 4.111 -4.066 -9.779 1.00 0.00 C ATOM 0 H ILE B 132 8.365 -3.700 -8.561 1.00 0.00 H new ATOM 0 HA ILE B 132 6.522 -5.305 -10.034 1.00 0.00 H new ATOM 0 HB ILE B 132 6.446 -2.906 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.660 -2.252 -10.801 1.00 0.00 H new ATOM 0 HG13 ILE B 132 5.102 -3.715 -11.659 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.654 -1.109 -10.795 1.00 0.00 H new ATOM 0 HG22 ILE B 132 8.214 -1.875 -10.410 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.353 -2.312 -11.905 1.00 0.00 H new ATOM 0 HD11 ILE B 132 3.122 -4.097 -10.236 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.491 -5.082 -9.669 1.00 0.00 H new ATOM 0 HD13 ILE B 132 4.043 -3.596 -8.798 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.306 13.264 10.052 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.462 12.074 9.817 1.00 0.00 C ATOM 1995 C TRP B 156 -4.955 11.258 8.610 1.00 0.00 C ATOM 1996 O TRP B 156 -4.149 10.787 7.808 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.420 11.203 11.088 1.00 0.00 C ATOM 1998 CG TRP B 156 -5.703 10.518 11.479 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.590 10.985 12.384 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.289 9.278 10.950 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -7.690 10.146 12.429 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -7.577 9.105 11.536 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -5.889 8.309 10.006 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.444 8.064 11.173 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -6.744 7.255 9.630 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.024 7.142 10.199 1.00 0.00 C ATOM 0 HA TRP B 156 -3.452 12.413 9.585 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -3.654 10.440 10.953 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.101 11.830 11.920 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.461 11.876 12.981 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.488 10.283 13.049 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -4.907 8.377 9.562 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -9.417 7.973 11.634 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -6.414 6.530 8.901 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -8.685 6.347 9.888 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.279 11.140 8.451 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.941 10.333 7.420 1.00 0.00 C ATOM 2019 C LYS B 157 -6.793 10.974 6.043 1.00 0.00 C ATOM 2020 O LYS B 157 -6.352 10.323 5.099 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.414 10.157 7.817 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.125 9.045 7.026 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.640 9.056 7.268 1.00 0.00 C ATOM 2024 CE LYS B 157 -11.007 8.818 8.743 1.00 0.00 C ATOM 2025 NZ LYS B 157 -12.462 8.997 8.961 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.942 11.621 9.059 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.470 9.352 7.352 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.472 9.931 8.882 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -8.941 11.099 7.662 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -8.926 9.171 5.962 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -8.718 8.076 7.314 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -11.048 10.014 6.946 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -11.108 8.287 6.653 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -10.712 7.811 9.037 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -10.452 9.510 9.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -12.686 8.831 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -12.735 9.966 8.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -12.987 8.319 8.372 1.00 0.00 H new ATOM 2039 N ASP B 158 -7.096 12.267 5.954 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.988 13.061 4.724 1.00 0.00 C ATOM 2041 C ASP B 158 -5.535 13.207 4.247 1.00 0.00 C ATOM 2042 O ASP B 158 -5.291 13.167 3.040 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.610 14.448 4.931 1.00 0.00 C ATOM 2044 CG ASP B 158 -9.138 14.451 5.086 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.685 15.523 5.431 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.814 13.432 4.805 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.431 12.808 6.751 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.535 12.524 3.948 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.168 14.900 5.819 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -7.343 15.081 4.084 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.560 13.327 5.160 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.133 13.333 4.808 1.00 0.00 C ATOM 2053 C ASP B 159 -2.673 11.961 4.289 1.00 0.00 C ATOM 2054 O ASP B 159 -2.172 11.849 3.169 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.298 13.775 6.024 1.00 0.00 C ATOM 2056 CG ASP B 159 -0.788 13.857 5.737 1.00 0.00 C ATOM 2057 OD1 ASP B 159 0.015 13.679 6.681 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -0.392 14.124 4.575 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.738 13.422 6.160 1.00 0.00 H new ATOM 0 HA ASP B 159 -2.981 14.047 3.998 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -2.649 14.751 6.360 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -2.466 13.076 6.843 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.876 10.893 5.071 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.391 9.545 4.761 1.00 0.00 C ATOM 2065 C TYR B 160 -3.005 8.977 3.472 1.00 0.00 C ATOM 2066 O TYR B 160 -2.273 8.487 2.611 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.652 8.652 5.984 1.00 0.00 C ATOM 2068 CG TYR B 160 -2.017 7.272 5.969 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.621 7.134 5.851 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.815 6.129 6.174 1.00 0.00 C ATOM 2071 CE1 TYR B 160 -0.024 5.860 5.936 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -2.219 4.861 6.269 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.818 4.716 6.153 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.232 3.497 6.282 1.00 0.00 O ATOM 0 H TYR B 160 -3.390 10.944 5.950 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.320 9.582 4.561 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.300 9.179 6.871 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.730 8.530 6.092 1.00 0.00 H new ATOM 0 HD1 TYR B 160 -0.005 8.007 5.695 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.887 6.228 6.258 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.047 5.760 5.834 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.836 3.990 6.432 1.00 0.00 H new ATOM 0 HH TYR B 160 -0.922 2.816 6.428 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.325 9.103 3.274 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.999 8.630 2.060 1.00 0.00 C ATOM 2086 C LEU B 161 -4.591 9.425 0.797 1.00 0.00 C ATOM 2087 O LEU B 161 -4.357 8.827 -0.257 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.517 8.657 2.310 1.00 0.00 C ATOM 2089 CG LEU B 161 -7.362 8.051 1.172 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -7.093 6.557 0.962 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.846 8.234 1.508 1.00 0.00 C ATOM 0 H LEU B 161 -4.953 9.535 3.951 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.684 7.608 1.852 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.731 8.116 3.232 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.829 9.690 2.467 1.00 0.00 H new ATOM 0 HG LEU B 161 -7.088 8.569 0.253 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -7.716 6.186 0.148 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -6.043 6.408 0.711 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -7.328 6.013 1.877 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -9.455 7.809 0.710 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -9.072 7.727 2.446 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -9.068 9.296 1.607 1.00 0.00 H new ATOM 2103 N SER B 162 -4.448 10.755 0.913 1.00 0.00 N ATOM 2104 CA SER B 162 -3.936 11.624 -0.162 1.00 0.00 C ATOM 2105 C SER B 162 -2.520 11.228 -0.594 1.00 0.00 C ATOM 2106 O SER B 162 -2.258 11.093 -1.794 1.00 0.00 O ATOM 2107 CB SER B 162 -3.949 13.079 0.321 1.00 0.00 C ATOM 2108 OG SER B 162 -3.291 13.980 -0.556 1.00 0.00 O ATOM 0 H SER B 162 -4.687 11.264 1.764 1.00 0.00 H new ATOM 0 HA SER B 162 -4.584 11.509 -1.031 1.00 0.00 H new ATOM 0 HB2 SER B 162 -4.983 13.400 0.448 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.476 13.131 1.302 1.00 0.00 H new ATOM 0 HG SER B 162 -3.338 14.887 -0.189 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.628 11.007 0.380 1.00 0.00 N ATOM 2115 CA ARG B 163 -0.228 10.614 0.191 1.00 0.00 C ATOM 2116 C ARG B 163 -0.110 9.242 -0.478 1.00 0.00 C ATOM 2117 O ARG B 163 0.555 9.116 -1.502 1.00 0.00 O ATOM 2118 CB ARG B 163 0.443 10.668 1.574 1.00 0.00 C ATOM 2119 CG ARG B 163 1.978 10.581 1.548 1.00 0.00 C ATOM 2120 CD ARG B 163 2.592 11.006 2.895 1.00 0.00 C ATOM 2121 NE ARG B 163 2.185 12.372 3.289 1.00 0.00 N ATOM 2122 CZ ARG B 163 2.457 13.491 2.643 1.00 0.00 C ATOM 2123 NH1 ARG B 163 3.379 13.586 1.731 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 1.776 14.569 2.887 1.00 0.00 N ATOM 0 H ARG B 163 -1.875 11.102 1.365 1.00 0.00 H new ATOM 0 HA ARG B 163 0.280 11.297 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.154 11.596 2.067 1.00 0.00 H new ATOM 0 HB3 ARG B 163 0.057 9.850 2.182 1.00 0.00 H new ATOM 0 HG2 ARG B 163 2.281 9.560 1.315 1.00 0.00 H new ATOM 0 HG3 ARG B 163 2.366 11.218 0.753 1.00 0.00 H new ATOM 0 HD2 ARG B 163 2.289 10.301 3.669 1.00 0.00 H new ATOM 0 HD3 ARG B 163 3.679 10.958 2.828 1.00 0.00 H new ATOM 0 HE ARG B 163 1.639 12.459 4.146 1.00 0.00 H new ATOM 0 HH11 ARG B 163 3.936 12.769 1.482 1.00 0.00 H new ATOM 0 HH12 ARG B 163 3.545 14.478 1.265 1.00 0.00 H new ATOM 0 HH21 ARG B 163 1.028 14.554 3.580 1.00 0.00 H new ATOM 0 HH22 ARG B 163 1.989 15.431 2.386 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.829 8.242 0.036 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.872 6.889 -0.524 1.00 0.00 C ATOM 2140 C LEU B 164 -1.462 6.852 -1.950 1.00 0.00 C ATOM 2141 O LEU B 164 -0.996 6.045 -2.757 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.637 5.974 0.450 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.804 5.336 1.584 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.242 6.222 2.268 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.759 4.813 2.653 1.00 0.00 C ATOM 0 H LEU B 164 -1.408 8.352 0.868 1.00 0.00 H new ATOM 0 HA LEU B 164 0.149 6.522 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.444 6.552 0.901 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -2.102 5.174 -0.126 1.00 0.00 H new ATOM 0 HG LEU B 164 -0.225 4.557 1.088 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.753 5.650 3.043 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.968 6.563 1.530 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.250 7.084 2.718 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -1.186 4.359 3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.351 5.639 3.047 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -2.422 4.067 2.215 1.00 0.00 H new ATOM 2157 N SER B 165 -2.404 7.734 -2.321 1.00 0.00 N ATOM 2158 CA SER B 165 -2.886 7.819 -3.712 1.00 0.00 C ATOM 2159 C SER B 165 -1.847 8.399 -4.690 1.00 0.00 C ATOM 2160 O SER B 165 -1.815 8.010 -5.860 1.00 0.00 O ATOM 2161 CB SER B 165 -4.215 8.585 -3.800 1.00 0.00 C ATOM 2162 OG SER B 165 -4.043 9.991 -3.810 1.00 0.00 O ATOM 0 H SER B 165 -2.846 8.395 -1.682 1.00 0.00 H new ATOM 0 HA SER B 165 -3.058 6.790 -4.028 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.743 8.283 -4.704 1.00 0.00 H new ATOM 0 HB3 SER B 165 -4.845 8.307 -2.955 1.00 0.00 H new ATOM 0 HG SER B 165 -3.427 10.250 -3.093 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.965 9.291 -4.213 1.00 0.00 N ATOM 2169 CA ARG B 166 0.081 9.975 -5.002 1.00 0.00 C ATOM 2170 C ARG B 166 1.394 9.185 -5.105 1.00 0.00 C ATOM 2171 O ARG B 166 2.067 9.273 -6.135 1.00 0.00 O ATOM 2172 CB ARG B 166 0.312 11.378 -4.397 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.855 12.314 -4.743 1.00 0.00 C ATOM 2174 CD ARG B 166 -0.895 13.549 -3.827 1.00 0.00 C ATOM 2175 NE ARG B 166 -2.033 14.440 -4.141 1.00 0.00 N ATOM 2176 CZ ARG B 166 -3.317 14.183 -3.944 1.00 0.00 C ATOM 2177 NH1 ARG B 166 -3.725 13.067 -3.419 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -4.243 15.031 -4.283 1.00 0.00 N ATOM 0 H ARG B 166 -0.957 9.569 -3.232 1.00 0.00 H new ATOM 0 HA ARG B 166 -0.274 10.058 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG B 166 0.415 11.301 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.245 11.795 -4.777 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.766 12.635 -5.781 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.795 11.769 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG B 166 -0.964 13.227 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.038 14.104 -3.927 1.00 0.00 H new ATOM 0 HE ARG B 166 -1.805 15.346 -4.552 1.00 0.00 H new ATOM 0 HH11 ARG B 166 -3.048 12.355 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG B 166 -4.722 12.903 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -3.988 15.920 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -5.225 14.807 -4.119 1.00 0.00 H new ATOM 2192 N LEU B 167 1.750 8.407 -4.080 1.00 0.00 N ATOM 2193 CA LEU B 167 2.928 7.523 -4.080 1.00 0.00 C ATOM 2194 C LEU B 167 2.796 6.352 -5.077 1.00 0.00 C ATOM 2195 O LEU B 167 1.694 5.891 -5.400 1.00 0.00 O ATOM 2196 CB LEU B 167 3.214 7.019 -2.646 1.00 0.00 C ATOM 2197 CG LEU B 167 4.265 7.859 -1.887 1.00 0.00 C ATOM 2198 CD1 LEU B 167 3.901 9.329 -1.699 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.492 7.251 -0.504 1.00 0.00 C ATOM 0 H LEU B 167 1.221 8.370 -3.209 1.00 0.00 H new ATOM 0 HA LEU B 167 3.779 8.112 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.283 7.020 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.556 5.985 -2.696 1.00 0.00 H new ATOM 0 HG LEU B 167 5.159 7.834 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.699 9.835 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU B 167 3.770 9.799 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU B 167 2.973 9.404 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.233 7.841 0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.554 7.251 0.052 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.851 6.227 -0.611 1.00 0.00 H new ATOM 2211 N SER B 168 3.946 5.874 -5.558 1.00 0.00 N ATOM 2212 CA SER B 168 4.074 4.746 -6.492 1.00 0.00 C ATOM 2213 C SER B 168 3.708 3.401 -5.845 1.00 0.00 C ATOM 2214 O SER B 168 3.856 3.228 -4.632 1.00 0.00 O ATOM 2215 CB SER B 168 5.509 4.708 -7.034 1.00 0.00 C ATOM 2216 OG SER B 168 5.725 3.589 -7.876 1.00 0.00 O ATOM 0 H SER B 168 4.848 6.274 -5.300 1.00 0.00 H new ATOM 0 HA SER B 168 3.367 4.900 -7.307 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.712 5.624 -7.588 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.211 4.677 -6.201 1.00 0.00 H new ATOM 0 HG SER B 168 6.649 3.599 -8.203 1.00 0.00 H new ATOM 2222 N LYS B 169 3.320 2.402 -6.652 1.00 0.00 N ATOM 2223 CA LYS B 169 3.143 0.997 -6.231 1.00 0.00 C ATOM 2224 C LYS B 169 4.400 0.434 -5.538 1.00 0.00 C ATOM 2225 O LYS B 169 4.295 -0.284 -4.545 1.00 0.00 O ATOM 2226 CB LYS B 169 2.728 0.187 -7.482 1.00 0.00 C ATOM 2227 CG LYS B 169 2.618 -1.344 -7.315 1.00 0.00 C ATOM 2228 CD LYS B 169 1.659 -1.799 -6.201 1.00 0.00 C ATOM 2229 CE LYS B 169 1.680 -3.322 -6.032 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.803 -4.034 -6.994 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.115 2.549 -7.640 1.00 0.00 H new ATOM 0 HA LYS B 169 2.361 0.924 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.763 0.562 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.449 0.391 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS B 169 2.288 -1.777 -8.260 1.00 0.00 H new ATOM 0 HG3 LYS B 169 3.610 -1.746 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS B 169 1.939 -1.323 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS B 169 0.646 -1.471 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.703 -3.679 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.371 -3.572 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 1.143 -5.009 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.171 -4.051 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.821 -3.542 -7.910 1.00 0.00 H new ATOM 2244 N ASN B 170 5.591 0.818 -5.999 1.00 0.00 N ATOM 2245 CA ASN B 170 6.867 0.434 -5.373 1.00 0.00 C ATOM 2246 C ASN B 170 7.072 1.098 -3.997 1.00 0.00 C ATOM 2247 O ASN B 170 7.470 0.433 -3.040 1.00 0.00 O ATOM 2248 CB ASN B 170 8.022 0.782 -6.331 1.00 0.00 C ATOM 2249 CG ASN B 170 7.882 0.115 -7.687 1.00 0.00 C ATOM 2250 OD1 ASN B 170 8.481 -1.038 -7.867 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 7.239 0.612 -8.596 1.00 0.00 N flip ATOM 0 H ASN B 170 5.703 1.409 -6.823 1.00 0.00 H new ATOM 0 HA ASN B 170 6.848 -0.641 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN B 170 8.064 1.863 -6.465 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.967 0.481 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN B 170 6.772 1.508 -8.460 1.00 0.00 H new ATOM 0 HD22 ASN B 170 7.168 0.131 -9.493 1.00 0.00 H new ATOM 2258 N GLN B 171 6.763 2.395 -3.881 1.00 0.00 N ATOM 2259 CA GLN B 171 6.831 3.148 -2.624 1.00 0.00 C ATOM 2260 C GLN B 171 5.817 2.622 -1.594 1.00 0.00 C ATOM 2261 O GLN B 171 6.165 2.463 -0.424 1.00 0.00 O ATOM 2262 CB GLN B 171 6.584 4.641 -2.901 1.00 0.00 C ATOM 2263 CG GLN B 171 7.760 5.311 -3.621 1.00 0.00 C ATOM 2264 CD GLN B 171 7.461 6.767 -3.954 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.529 7.089 -4.681 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.220 7.710 -3.445 1.00 0.00 N ATOM 0 H GLN B 171 6.453 2.960 -4.672 1.00 0.00 H new ATOM 0 HA GLN B 171 7.827 3.016 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.683 4.750 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.400 5.156 -1.958 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.650 5.256 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN B 171 7.983 4.766 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN B 171 9.001 7.463 -2.837 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.028 8.689 -3.657 1.00 0.00 H new ATOM 2275 N LEU B 172 4.595 2.295 -2.027 1.00 0.00 N ATOM 2276 CA LEU B 172 3.547 1.703 -1.189 1.00 0.00 C ATOM 2277 C LEU B 172 3.965 0.354 -0.603 1.00 0.00 C ATOM 2278 O LEU B 172 3.798 0.141 0.597 1.00 0.00 O ATOM 2279 CB LEU B 172 2.260 1.551 -2.014 1.00 0.00 C ATOM 2280 CG LEU B 172 1.526 2.877 -2.276 1.00 0.00 C ATOM 2281 CD1 LEU B 172 0.543 2.726 -3.436 1.00 0.00 C ATOM 2282 CD2 LEU B 172 0.734 3.296 -1.041 1.00 0.00 C ATOM 0 H LEU B 172 4.300 2.438 -2.993 1.00 0.00 H new ATOM 0 HA LEU B 172 3.373 2.373 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.506 1.088 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.586 0.870 -1.494 1.00 0.00 H new ATOM 0 HG LEU B 172 2.277 3.629 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU B 172 0.033 3.674 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU B 172 1.085 2.438 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -0.191 1.958 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU B 172 0.219 4.236 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.002 2.526 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU B 172 1.414 3.426 -0.199 1.00 0.00 H new ATOM 2294 N MET B 173 4.560 -0.535 -1.406 1.00 0.00 N ATOM 2295 CA MET B 173 5.114 -1.802 -0.904 1.00 0.00 C ATOM 2296 C MET B 173 6.222 -1.570 0.134 1.00 0.00 C ATOM 2297 O MET B 173 6.259 -2.251 1.158 1.00 0.00 O ATOM 2298 CB MET B 173 5.647 -2.648 -2.064 1.00 0.00 C ATOM 2299 CG MET B 173 4.509 -3.337 -2.819 1.00 0.00 C ATOM 2300 SD MET B 173 5.063 -4.584 -4.013 1.00 0.00 S ATOM 2301 CE MET B 173 5.663 -3.534 -5.361 1.00 0.00 C ATOM 0 H MET B 173 4.672 -0.401 -2.411 1.00 0.00 H new ATOM 0 HA MET B 173 4.304 -2.339 -0.410 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.210 -2.015 -2.750 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.339 -3.398 -1.682 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.843 -3.810 -2.098 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.925 -2.581 -3.344 1.00 0.00 H new ATOM 0 HE1 MET B 173 5.032 -3.672 -6.239 1.00 0.00 H new ATOM 0 HE2 MET B 173 5.630 -2.490 -5.051 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.689 -3.807 -5.606 1.00 0.00 H new ATOM 2311 N ALA B 174 7.101 -0.590 -0.091 1.00 0.00 N ATOM 2312 CA ALA B 174 8.222 -0.311 0.801 1.00 0.00 C ATOM 2313 C ALA B 174 7.801 0.326 2.141 1.00 0.00 C ATOM 2314 O ALA B 174 8.231 -0.143 3.196 1.00 0.00 O ATOM 2315 CB ALA B 174 9.227 0.557 0.047 1.00 0.00 C ATOM 0 H ALA B 174 7.053 0.031 -0.899 1.00 0.00 H new ATOM 0 HA ALA B 174 8.681 -1.258 1.084 1.00 0.00 H new ATOM 0 HB1 ALA B 174 10.075 0.779 0.695 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.576 0.024 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.748 1.488 -0.255 1.00 0.00 H new ATOM 2321 N LEU B 175 6.936 1.355 2.131 1.00 0.00 N ATOM 2322 CA LEU B 175 6.447 1.982 3.370 1.00 0.00 C ATOM 2323 C LEU B 175 5.585 1.006 4.197 1.00 0.00 C ATOM 2324 O LEU B 175 5.689 0.987 5.425 1.00 0.00 O ATOM 2325 CB LEU B 175 5.750 3.329 3.060 1.00 0.00 C ATOM 2326 CG LEU B 175 4.293 3.272 2.542 1.00 0.00 C ATOM 2327 CD1 LEU B 175 3.268 3.405 3.678 1.00 0.00 C ATOM 2328 CD2 LEU B 175 4.022 4.420 1.571 1.00 0.00 C ATOM 0 H LEU B 175 6.561 1.770 1.278 1.00 0.00 H new ATOM 0 HA LEU B 175 7.299 2.219 4.007 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.762 3.932 3.968 1.00 0.00 H new ATOM 0 HB3 LEU B 175 6.351 3.857 2.319 1.00 0.00 H new ATOM 0 HG LEU B 175 4.186 2.302 2.056 1.00 0.00 H new ATOM 0 HD11 LEU B 175 2.260 3.359 3.266 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.406 2.591 4.390 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.409 4.359 4.186 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.992 4.363 1.218 1.00 0.00 H new ATOM 0 HD22 LEU B 175 4.179 5.371 2.080 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.701 4.346 0.722 1.00 0.00 H new ATOM 2340 N ALA B 176 4.805 0.142 3.535 1.00 0.00 N ATOM 2341 CA ALA B 176 4.039 -0.916 4.188 1.00 0.00 C ATOM 2342 C ALA B 176 4.954 -1.976 4.843 1.00 0.00 C ATOM 2343 O ALA B 176 4.732 -2.358 5.993 1.00 0.00 O ATOM 2344 CB ALA B 176 3.085 -1.530 3.167 1.00 0.00 C ATOM 0 H ALA B 176 4.690 0.162 2.522 1.00 0.00 H new ATOM 0 HA ALA B 176 3.459 -0.487 5.005 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.506 -2.322 3.641 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.409 -0.761 2.792 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.658 -1.945 2.338 1.00 0.00 H new ATOM 2350 N LEU B 177 6.005 -2.436 4.151 1.00 0.00 N ATOM 2351 CA LEU B 177 6.980 -3.389 4.700 1.00 0.00 C ATOM 2352 C LEU B 177 7.714 -2.792 5.911 1.00 0.00 C ATOM 2353 O LEU B 177 7.826 -3.444 6.953 1.00 0.00 O ATOM 2354 CB LEU B 177 7.937 -3.811 3.564 1.00 0.00 C ATOM 2355 CG LEU B 177 8.897 -4.991 3.813 1.00 0.00 C ATOM 2356 CD1 LEU B 177 10.070 -4.673 4.739 1.00 0.00 C ATOM 2357 CD2 LEU B 177 8.170 -6.226 4.347 1.00 0.00 C ATOM 0 H LEU B 177 6.204 -2.157 3.190 1.00 0.00 H new ATOM 0 HA LEU B 177 6.474 -4.279 5.074 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.330 -4.056 2.692 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.540 -2.943 3.299 1.00 0.00 H new ATOM 0 HG LEU B 177 9.308 -5.198 2.825 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.692 -5.561 4.857 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.665 -3.868 4.309 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.691 -4.364 5.713 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.888 -7.030 4.507 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.683 -5.982 5.291 1.00 0.00 H new ATOM 0 HD23 LEU B 177 7.420 -6.547 3.624 1.00 0.00 H new ATOM 2369 N LYS B 178 8.136 -1.521 5.835 1.00 0.00 N ATOM 2370 CA LYS B 178 8.782 -0.801 6.945 1.00 0.00 C ATOM 2371 C LYS B 178 7.866 -0.663 8.167 1.00 0.00 C ATOM 2372 O LYS B 178 8.296 -0.997 9.275 1.00 0.00 O ATOM 2373 CB LYS B 178 9.299 0.557 6.451 1.00 0.00 C ATOM 2374 CG LYS B 178 10.567 0.395 5.590 1.00 0.00 C ATOM 2375 CD LYS B 178 10.956 1.707 4.901 1.00 0.00 C ATOM 2376 CE LYS B 178 12.216 1.538 4.046 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.455 1.597 4.868 1.00 0.00 N1+ ATOM 0 H LYS B 178 8.037 -0.957 4.991 1.00 0.00 H new ATOM 0 HA LYS B 178 9.633 -1.392 7.284 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.523 1.054 5.869 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.517 1.198 7.305 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.391 0.055 6.217 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.400 -0.376 4.837 1.00 0.00 H new ATOM 0 HD2 LYS B 178 10.132 2.048 4.274 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.125 2.478 5.653 1.00 0.00 H new ATOM 0 HE2 LYS B 178 12.173 0.584 3.521 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.247 2.319 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 14.270 1.312 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.597 2.568 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.365 0.952 5.679 1.00 0.00 H new ATOM 2391 N LEU B 179 6.595 -0.274 7.994 1.00 0.00 N ATOM 2392 CA LEU B 179 5.648 -0.173 9.119 1.00 0.00 C ATOM 2393 C LEU B 179 5.244 -1.545 9.696 1.00 0.00 C ATOM 2394 O LEU B 179 4.895 -1.629 10.879 1.00 0.00 O ATOM 2395 CB LEU B 179 4.464 0.767 8.799 1.00 0.00 C ATOM 2396 CG LEU B 179 3.400 0.272 7.806 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.357 -0.658 8.432 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.646 1.466 7.223 1.00 0.00 C ATOM 0 H LEU B 179 6.197 -0.024 7.089 1.00 0.00 H new ATOM 0 HA LEU B 179 6.179 0.309 9.940 1.00 0.00 H new ATOM 0 HB2 LEU B 179 3.962 1.003 9.737 1.00 0.00 H new ATOM 0 HB3 LEU B 179 4.873 1.701 8.413 1.00 0.00 H new ATOM 0 HG LEU B 179 3.945 -0.288 7.046 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.640 -0.966 7.671 1.00 0.00 H new ATOM 0 HD12 LEU B 179 2.853 -1.538 8.840 1.00 0.00 H new ATOM 0 HD13 LEU B 179 1.834 -0.133 9.231 1.00 0.00 H new ATOM 0 HD21 LEU B 179 1.892 1.112 6.519 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.160 2.018 8.028 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.347 2.121 6.705 1.00 0.00 H new ATOM 2410 N LYS B 180 5.349 -2.625 8.907 1.00 0.00 N ATOM 2411 CA LYS B 180 5.171 -4.025 9.345 1.00 0.00 C ATOM 2412 C LYS B 180 6.384 -4.573 10.112 1.00 0.00 C ATOM 2413 O LYS B 180 6.208 -5.357 11.043 1.00 0.00 O ATOM 2414 CB LYS B 180 4.826 -4.887 8.109 1.00 0.00 C ATOM 2415 CG LYS B 180 4.445 -6.344 8.417 1.00 0.00 C ATOM 2416 CD LYS B 180 3.157 -6.471 9.245 1.00 0.00 C ATOM 2417 CE LYS B 180 2.787 -7.948 9.439 1.00 0.00 C ATOM 2418 NZ LYS B 180 1.536 -8.095 10.225 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.567 -2.550 7.913 1.00 0.00 H new ATOM 0 HA LYS B 180 4.349 -4.065 10.059 1.00 0.00 H new ATOM 0 HB2 LYS B 180 4.000 -4.416 7.576 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.682 -4.886 7.434 1.00 0.00 H new ATOM 0 HG2 LYS B 180 4.322 -6.886 7.480 1.00 0.00 H new ATOM 0 HG3 LYS B 180 5.264 -6.821 8.956 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.293 -5.993 10.215 1.00 0.00 H new ATOM 0 HD3 LYS B 180 2.342 -5.949 8.744 1.00 0.00 H new ATOM 0 HE2 LYS B 180 2.665 -8.425 8.466 1.00 0.00 H new ATOM 0 HE3 LYS B 180 3.601 -8.465 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 1.314 -9.105 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 1.662 -7.661 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 0.755 -7.623 9.726 1.00 0.00 H new ATOM 2432 N GLN B 181 7.599 -4.136 9.773 1.00 0.00 N ATOM 2433 CA GLN B 181 8.847 -4.533 10.439 1.00 0.00 C ATOM 2434 C GLN B 181 9.024 -3.873 11.824 1.00 0.00 C ATOM 2435 O GLN B 181 9.524 -4.512 12.751 1.00 0.00 O ATOM 2436 CB GLN B 181 10.017 -4.211 9.494 1.00 0.00 C ATOM 2437 CG GLN B 181 11.391 -4.609 10.066 1.00 0.00 C ATOM 2438 CD GLN B 181 12.493 -4.672 9.003 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.326 -5.566 9.002 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.533 -3.769 8.044 1.00 0.00 N ATOM 0 H GLN B 181 7.749 -3.479 9.008 1.00 0.00 H new ATOM 0 HA GLN B 181 8.816 -5.604 10.641 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.862 -4.728 8.547 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.017 -3.143 9.278 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.678 -3.892 10.836 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.307 -5.581 10.551 1.00 0.00 H new ATOM 0 HE21 GLN B 181 11.847 -3.014 8.025 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.250 -3.825 7.320 1.00 0.00 H new ATOM 2449 N GLN B 182 8.594 -2.615 11.986 1.00 0.00 N ATOM 2450 CA GLN B 182 8.704 -1.889 13.266 1.00 0.00 C ATOM 2451 C GLN B 182 7.597 -2.228 14.280 1.00 0.00 C ATOM 2452 O GLN B 182 7.834 -2.147 15.485 1.00 0.00 O ATOM 2453 CB GLN B 182 8.807 -0.373 13.008 1.00 0.00 C ATOM 2454 CG GLN B 182 7.556 0.262 12.371 1.00 0.00 C ATOM 2455 CD GLN B 182 6.461 0.679 13.357 1.00 0.00 C ATOM 2456 OE1 GLN B 182 6.694 1.273 14.400 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.212 0.392 13.054 1.00 0.00 N ATOM 0 H GLN B 182 8.161 -2.071 11.240 1.00 0.00 H new ATOM 0 HA GLN B 182 9.623 -2.232 13.741 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.010 0.129 13.954 1.00 0.00 H new ATOM 0 HB3 GLN B 182 9.662 -0.187 12.358 1.00 0.00 H new ATOM 0 HG2 GLN B 182 7.863 1.140 11.802 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.131 -0.446 11.660 1.00 0.00 H new ATOM 0 HE21 GLN B 182 4.998 -0.103 12.188 1.00 0.00 H new ATOM 0 HE22 GLN B 182 4.459 0.665 13.685 1.00 0.00 H new