USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=21 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= -1.1 F(o=-1.9!,f=-1.1) USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.297 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.831 K(o=1.1,f=-4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.432 USER MOD Single : A 19 GLN : amide:sc= 0.989 K(o=0.99,f=-0.005) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.13) USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00424 USER MOD Single : A 62 SER OG : rot -109:sc= 0.438 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 2.2 (180deg=1.04) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.335 F(o=-1.4,f=-0.33) USER MOD Single : A 73 MET CE :methyl 167:sc= -0.251 (180deg=-0.356) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 1.33 (180deg=0.967) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0.879 (180deg=0.69) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0.176 K(o=0.18,f=-0.47) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : B 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 TYR OH : rot 150:sc= 0 USER MOD Single : B 162 SER OG : rot 180:sc= 0 USER MOD Single : B 165 SER OG : rot -160:sc= 0.815 USER MOD Single : B 169 LYS NZ :NH3+ 162:sc= 1.91 (180deg=1.5) USER MOD Single : B 171 GLN : amide:sc= 1.21 K(o=1.2,f=-4.6!) USER MOD Single : B 173 MET CE :methyl -177:sc= -0.414 (180deg=-0.425) USER MOD Single : B 178 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0211) USER MOD Single : B 180 LYS NZ :NH3+ -110:sc= 0.946 (180deg=0.173) USER MOD Single : B 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 182 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -7.477 -8.279 7.670 1.00 0.00 N ATOM 133 CA GLU A 11 -7.810 -7.091 6.869 1.00 0.00 C ATOM 134 C GLU A 11 -7.377 -7.262 5.405 1.00 0.00 C ATOM 135 O GLU A 11 -8.093 -6.863 4.487 1.00 0.00 O ATOM 136 CB GLU A 11 -7.152 -5.832 7.461 1.00 0.00 C ATOM 137 CG GLU A 11 -7.401 -5.625 8.970 1.00 0.00 C ATOM 138 CD GLU A 11 -8.872 -5.843 9.371 1.00 0.00 C ATOM 139 OE1 GLU A 11 -9.147 -6.713 10.233 1.00 0.00 O ATOM 140 OE2 GLU A 11 -9.761 -5.148 8.825 1.00 0.00 O1- ATOM 0 HA GLU A 11 -8.893 -6.974 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.077 -5.884 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.520 -4.959 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.770 -6.312 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.100 -4.615 9.247 1.00 0.00 H new ATOM 147 N LEU A 12 -6.238 -7.918 5.170 1.00 0.00 N ATOM 148 CA LEU A 12 -5.705 -8.221 3.837 1.00 0.00 C ATOM 149 C LEU A 12 -6.654 -9.160 3.079 1.00 0.00 C ATOM 150 O LEU A 12 -6.978 -8.924 1.913 1.00 0.00 O ATOM 151 CB LEU A 12 -4.318 -8.878 3.992 1.00 0.00 C ATOM 152 CG LEU A 12 -3.126 -7.953 4.286 1.00 0.00 C ATOM 153 CD1 LEU A 12 -2.817 -7.094 3.067 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.312 -7.042 5.505 1.00 0.00 C ATOM 0 H LEU A 12 -5.643 -8.264 5.923 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.614 -7.298 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.381 -9.612 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.101 -9.426 3.075 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.296 -8.619 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.971 -6.442 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.571 -7.737 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.688 -6.487 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.423 -6.425 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.180 -6.400 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.466 -7.652 6.395 1.00 0.00 H new ATOM 166 N SER A 13 -7.134 -10.204 3.757 1.00 0.00 N ATOM 167 CA SER A 13 -8.072 -11.180 3.198 1.00 0.00 C ATOM 168 C SER A 13 -9.469 -10.579 2.968 1.00 0.00 C ATOM 169 O SER A 13 -10.171 -10.981 2.037 1.00 0.00 O ATOM 170 CB SER A 13 -8.142 -12.410 4.104 1.00 0.00 C ATOM 171 OG SER A 13 -6.843 -12.953 4.303 1.00 0.00 O ATOM 0 H SER A 13 -6.878 -10.398 4.725 1.00 0.00 H new ATOM 0 HA SER A 13 -7.700 -11.480 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.580 -12.138 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.793 -13.162 3.658 1.00 0.00 H new ATOM 0 HG SER A 13 -6.903 -13.738 4.886 1.00 0.00 H new ATOM 177 N GLU A 14 -9.867 -9.572 3.754 1.00 0.00 N ATOM 178 CA GLU A 14 -11.076 -8.766 3.517 1.00 0.00 C ATOM 179 C GLU A 14 -10.940 -7.871 2.269 1.00 0.00 C ATOM 180 O GLU A 14 -11.840 -7.868 1.430 1.00 0.00 O ATOM 181 CB GLU A 14 -11.418 -7.970 4.789 1.00 0.00 C ATOM 182 CG GLU A 14 -12.577 -6.978 4.598 1.00 0.00 C ATOM 183 CD GLU A 14 -13.162 -6.494 5.941 1.00 0.00 C ATOM 184 OE1 GLU A 14 -13.146 -5.268 6.200 1.00 0.00 O ATOM 185 OE2 GLU A 14 -13.674 -7.330 6.731 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.351 -9.288 4.587 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.910 -9.434 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.675 -8.667 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.533 -7.424 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.226 -6.119 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.364 -7.451 4.011 1.00 0.00 H new ATOM 192 N ILE A 15 -9.812 -7.164 2.096 1.00 0.00 N ATOM 193 CA ILE A 15 -9.509 -6.341 0.900 1.00 0.00 C ATOM 194 C ILE A 15 -9.492 -7.174 -0.399 1.00 0.00 C ATOM 195 O ILE A 15 -9.884 -6.680 -1.459 1.00 0.00 O ATOM 196 CB ILE A 15 -8.181 -5.569 1.120 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.336 -4.441 2.161 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.588 -4.981 -0.171 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.412 -3.395 1.864 1.00 0.00 C ATOM 0 H ILE A 15 -9.067 -7.144 2.793 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.313 -5.616 0.771 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.485 -6.320 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.555 -4.894 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.378 -3.930 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.661 -4.456 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.382 -5.786 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.299 -4.284 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.429 -2.654 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.190 -2.903 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.385 -3.882 1.800 1.00 0.00 H new ATOM 211 N GLU A 16 -9.086 -8.444 -0.331 1.00 0.00 N ATOM 212 CA GLU A 16 -9.170 -9.390 -1.458 1.00 0.00 C ATOM 213 C GLU A 16 -10.596 -9.921 -1.721 1.00 0.00 C ATOM 214 O GLU A 16 -10.880 -10.406 -2.823 1.00 0.00 O ATOM 215 CB GLU A 16 -8.214 -10.567 -1.214 1.00 0.00 C ATOM 216 CG GLU A 16 -6.739 -10.155 -1.367 1.00 0.00 C ATOM 217 CD GLU A 16 -5.783 -11.306 -1.002 1.00 0.00 C ATOM 218 OE1 GLU A 16 -4.804 -11.061 -0.254 1.00 0.00 O ATOM 219 OE2 GLU A 16 -5.999 -12.463 -1.437 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.685 -8.853 0.513 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.881 -8.835 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.377 -10.964 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.441 -11.369 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.554 -9.841 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.534 -9.296 -0.729 1.00 0.00 H new ATOM 226 N GLY A 17 -11.500 -9.836 -0.733 1.00 0.00 N ATOM 227 CA GLY A 17 -12.893 -10.295 -0.824 1.00 0.00 C ATOM 228 C GLY A 17 -13.855 -9.242 -1.400 1.00 0.00 C ATOM 229 O GLY A 17 -14.693 -9.567 -2.246 1.00 0.00 O ATOM 0 H GLY A 17 -11.275 -9.434 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.932 -11.189 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.237 -10.583 0.169 1.00 0.00 H new ATOM 233 N LEU A 18 -13.738 -7.987 -0.952 1.00 0.00 N ATOM 234 CA LEU A 18 -14.534 -6.845 -1.436 1.00 0.00 C ATOM 235 C LEU A 18 -14.133 -6.372 -2.847 1.00 0.00 C ATOM 236 O LEU A 18 -13.037 -6.670 -3.326 1.00 0.00 O ATOM 237 CB LEU A 18 -14.562 -5.746 -0.360 1.00 0.00 C ATOM 238 CG LEU A 18 -13.230 -5.078 0.031 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.722 -4.014 -0.944 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.434 -4.389 1.382 1.00 0.00 C ATOM 0 H LEU A 18 -13.072 -7.727 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.564 -7.170 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.240 -4.963 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.998 -6.174 0.543 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.486 -5.874 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.780 -3.606 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.566 -4.464 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.457 -3.214 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.506 -3.905 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.221 -3.641 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.720 -5.130 2.129 1.00 0.00 H new ATOM 252 N GLN A 19 -15.038 -5.651 -3.519 1.00 0.00 N ATOM 253 CA GLN A 19 -14.898 -5.244 -4.925 1.00 0.00 C ATOM 254 C GLN A 19 -14.588 -3.741 -5.111 1.00 0.00 C ATOM 255 O GLN A 19 -14.567 -2.968 -4.154 1.00 0.00 O ATOM 256 CB GLN A 19 -16.116 -5.715 -5.745 1.00 0.00 C ATOM 257 CG GLN A 19 -17.422 -4.949 -5.481 1.00 0.00 C ATOM 258 CD GLN A 19 -18.550 -5.905 -5.105 1.00 0.00 C ATOM 259 OE1 GLN A 19 -19.347 -6.341 -5.928 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.623 -6.299 -3.853 1.00 0.00 N ATOM 0 H GLN A 19 -15.906 -5.327 -3.093 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.014 -5.747 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.874 -5.633 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.286 -6.772 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.269 -4.228 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.701 -4.383 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.961 -5.938 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.341 -6.965 -3.569 1.00 0.00 H new ATOM 269 N ASP A 20 -14.364 -3.307 -6.354 1.00 0.00 N ATOM 270 CA ASP A 20 -14.028 -1.918 -6.698 1.00 0.00 C ATOM 271 C ASP A 20 -15.111 -0.887 -6.309 1.00 0.00 C ATOM 272 O ASP A 20 -14.776 0.252 -5.984 1.00 0.00 O ATOM 273 CB ASP A 20 -13.678 -1.792 -8.191 1.00 0.00 C ATOM 274 CG ASP A 20 -14.777 -2.185 -9.204 1.00 0.00 C ATOM 275 OD1 ASP A 20 -15.761 -2.882 -8.853 1.00 0.00 O ATOM 276 OD2 ASP A 20 -14.640 -1.798 -10.391 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.411 -3.921 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.154 -1.674 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.391 -0.759 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.801 -2.408 -8.387 1.00 0.00 H new ATOM 281 N ASP A 21 -16.390 -1.278 -6.266 1.00 0.00 N ATOM 282 CA ASP A 21 -17.475 -0.444 -5.729 1.00 0.00 C ATOM 283 C ASP A 21 -17.346 -0.210 -4.211 1.00 0.00 C ATOM 284 O ASP A 21 -17.674 0.867 -3.713 1.00 0.00 O ATOM 285 CB ASP A 21 -18.836 -1.089 -6.042 1.00 0.00 C ATOM 286 CG ASP A 21 -19.188 -1.136 -7.539 1.00 0.00 C ATOM 287 OD1 ASP A 21 -19.961 -2.040 -7.941 1.00 0.00 O ATOM 288 OD2 ASP A 21 -18.755 -0.249 -8.315 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.705 -2.187 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.402 0.529 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.842 -2.105 -5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.615 -0.538 -5.515 1.00 0.00 H new ATOM 293 N ASP A 22 -16.827 -1.192 -3.464 1.00 0.00 N ATOM 294 CA ASP A 22 -16.549 -1.079 -2.026 1.00 0.00 C ATOM 295 C ASP A 22 -15.272 -0.268 -1.754 1.00 0.00 C ATOM 296 O ASP A 22 -15.238 0.549 -0.830 1.00 0.00 O ATOM 297 CB ASP A 22 -16.426 -2.475 -1.399 1.00 0.00 C ATOM 298 CG ASP A 22 -17.606 -3.414 -1.702 1.00 0.00 C ATOM 299 OD1 ASP A 22 -17.345 -4.591 -2.065 1.00 0.00 O ATOM 300 OD2 ASP A 22 -18.782 -2.995 -1.568 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.584 -2.105 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.385 -0.548 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.507 -2.940 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.331 -2.368 -0.318 1.00 0.00 H new ATOM 305 N LEU A 23 -14.240 -0.425 -2.596 1.00 0.00 N ATOM 306 CA LEU A 23 -13.031 0.405 -2.564 1.00 0.00 C ATOM 307 C LEU A 23 -13.370 1.880 -2.816 1.00 0.00 C ATOM 308 O LEU A 23 -12.956 2.743 -2.048 1.00 0.00 O ATOM 309 CB LEU A 23 -11.991 -0.096 -3.589 1.00 0.00 C ATOM 310 CG LEU A 23 -11.427 -1.502 -3.308 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.577 -1.989 -4.484 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.527 -1.513 -2.074 1.00 0.00 C ATOM 0 H LEU A 23 -14.223 -1.139 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.596 0.322 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.448 -0.095 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.163 0.612 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.288 -2.151 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.188 -2.984 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.190 -2.029 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.746 -1.301 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.149 -2.522 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.690 -0.832 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.099 -1.193 -1.203 1.00 0.00 H new ATOM 324 N ALA A 24 -14.179 2.183 -3.836 1.00 0.00 N ATOM 325 CA ALA A 24 -14.643 3.541 -4.122 1.00 0.00 C ATOM 326 C ALA A 24 -15.492 4.139 -2.984 1.00 0.00 C ATOM 327 O ALA A 24 -15.411 5.342 -2.731 1.00 0.00 O ATOM 328 CB ALA A 24 -15.411 3.526 -5.447 1.00 0.00 C ATOM 0 H ALA A 24 -14.532 1.485 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.772 4.192 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.764 4.532 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.753 3.183 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.264 2.852 -5.366 1.00 0.00 H new ATOM 334 N ALA A 25 -16.251 3.324 -2.244 1.00 0.00 N ATOM 335 CA ALA A 25 -17.013 3.775 -1.081 1.00 0.00 C ATOM 336 C ALA A 25 -16.114 4.202 0.104 1.00 0.00 C ATOM 337 O ALA A 25 -16.442 5.177 0.789 1.00 0.00 O ATOM 338 CB ALA A 25 -18.006 2.677 -0.681 1.00 0.00 C ATOM 0 H ALA A 25 -16.353 2.328 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.560 4.676 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.580 3.004 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.684 2.480 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.461 1.766 -0.433 1.00 0.00 H new ATOM 344 N LEU A 26 -14.987 3.513 0.336 1.00 0.00 N ATOM 345 CA LEU A 26 -14.088 3.782 1.475 1.00 0.00 C ATOM 346 C LEU A 26 -12.933 4.761 1.144 1.00 0.00 C ATOM 347 O LEU A 26 -12.500 5.498 2.029 1.00 0.00 O ATOM 348 CB LEU A 26 -13.671 2.446 2.142 1.00 0.00 C ATOM 349 CG LEU A 26 -12.420 1.728 1.585 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.176 2.046 2.427 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.597 0.207 1.616 1.00 0.00 C ATOM 0 H LEU A 26 -14.670 2.750 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.639 4.343 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.504 2.637 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.513 1.758 2.071 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.294 2.082 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.313 1.527 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.994 3.121 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.337 1.716 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.702 -0.272 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.757 -0.120 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.458 -0.072 1.008 1.00 0.00 H new ATOM 363 N LEU A 27 -12.470 4.821 -0.114 1.00 0.00 N ATOM 364 CA LEU A 27 -11.497 5.819 -0.610 1.00 0.00 C ATOM 365 C LEU A 27 -12.160 7.154 -0.994 1.00 0.00 C ATOM 366 O LEU A 27 -11.559 8.221 -0.834 1.00 0.00 O ATOM 367 CB LEU A 27 -10.743 5.256 -1.837 1.00 0.00 C ATOM 368 CG LEU A 27 -9.512 4.396 -1.510 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.784 3.151 -0.673 1.00 0.00 C ATOM 370 CD2 LEU A 27 -8.841 3.933 -2.802 1.00 0.00 C ATOM 0 H LEU A 27 -12.766 4.163 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.803 6.017 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.437 4.658 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.428 6.090 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.879 5.052 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.849 2.617 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.217 3.443 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.480 2.501 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.969 3.324 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.546 3.342 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.528 4.802 -3.381 1.00 0.00 H new ATOM 382 N GLY A 28 -13.398 7.112 -1.497 1.00 0.00 N ATOM 383 CA GLY A 28 -14.192 8.291 -1.868 1.00 0.00 C ATOM 384 C GLY A 28 -13.595 9.072 -3.047 1.00 0.00 C ATOM 385 O GLY A 28 -13.137 8.480 -4.027 1.00 0.00 O ATOM 0 H GLY A 28 -13.890 6.234 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.203 7.975 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.274 8.953 -1.006 1.00 0.00 H new ATOM 389 N LYS A 29 -13.568 10.408 -2.938 1.00 0.00 N ATOM 390 CA LYS A 29 -13.038 11.323 -3.970 1.00 0.00 C ATOM 391 C LYS A 29 -11.546 11.097 -4.282 1.00 0.00 C ATOM 392 O LYS A 29 -11.093 11.430 -5.377 1.00 0.00 O ATOM 393 CB LYS A 29 -13.306 12.768 -3.507 1.00 0.00 C ATOM 394 CG LYS A 29 -12.964 13.874 -4.521 1.00 0.00 C ATOM 395 CD LYS A 29 -13.664 13.772 -5.886 1.00 0.00 C ATOM 396 CE LYS A 29 -15.195 13.808 -5.747 1.00 0.00 C ATOM 397 NZ LYS A 29 -15.854 13.783 -7.080 1.00 0.00 N1+ ATOM 0 H LYS A 29 -13.920 10.897 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.552 11.120 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.361 12.855 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.736 12.949 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.214 14.837 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.886 13.869 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.338 14.593 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.365 12.847 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.530 12.955 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.493 14.707 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.886 13.808 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.551 14.610 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.586 12.913 -7.583 1.00 0.00 H new ATOM 411 N GLU A 30 -10.796 10.517 -3.342 1.00 0.00 N ATOM 412 CA GLU A 30 -9.364 10.200 -3.479 1.00 0.00 C ATOM 413 C GLU A 30 -9.071 8.775 -4.006 1.00 0.00 C ATOM 414 O GLU A 30 -7.928 8.318 -4.003 1.00 0.00 O ATOM 415 CB GLU A 30 -8.628 10.556 -2.171 1.00 0.00 C ATOM 416 CG GLU A 30 -7.124 10.856 -2.305 1.00 0.00 C ATOM 417 CD GLU A 30 -6.791 11.872 -3.418 1.00 0.00 C ATOM 418 OE1 GLU A 30 -5.782 11.690 -4.143 1.00 0.00 O ATOM 419 OE2 GLU A 30 -7.538 12.856 -3.626 1.00 0.00 O1- ATOM 0 H GLU A 30 -11.176 10.245 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.960 10.828 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.114 11.426 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.753 9.730 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.752 11.238 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.593 9.925 -2.504 1.00 0.00 H new ATOM 426 N PHE A 31 -10.091 8.071 -4.512 1.00 0.00 N ATOM 427 CA PHE A 31 -9.927 6.886 -5.372 1.00 0.00 C ATOM 428 C PHE A 31 -9.091 7.240 -6.624 1.00 0.00 C ATOM 429 O PHE A 31 -9.256 8.320 -7.207 1.00 0.00 O ATOM 430 CB PHE A 31 -11.319 6.325 -5.715 1.00 0.00 C ATOM 431 CG PHE A 31 -11.338 5.033 -6.512 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.183 5.063 -7.910 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.532 3.800 -5.860 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.204 3.867 -8.653 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.591 2.609 -6.606 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.421 2.639 -8.001 1.00 0.00 C ATOM 0 H PHE A 31 -11.067 8.309 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.373 6.106 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.863 6.163 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.866 7.083 -6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.047 6.008 -8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.636 3.769 -4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.054 3.892 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.767 1.668 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.457 1.722 -8.571 1.00 0.00 H new ATOM 446 N ILE A 32 -8.178 6.349 -7.036 1.00 0.00 N ATOM 447 CA ILE A 32 -7.190 6.625 -8.102 1.00 0.00 C ATOM 448 C ILE A 32 -7.852 6.939 -9.462 1.00 0.00 C ATOM 449 O ILE A 32 -8.898 6.383 -9.804 1.00 0.00 O ATOM 450 CB ILE A 32 -6.150 5.476 -8.187 1.00 0.00 C ATOM 451 CG1 ILE A 32 -4.743 5.970 -8.591 1.00 0.00 C ATOM 452 CG2 ILE A 32 -6.561 4.366 -9.169 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.055 6.783 -7.488 1.00 0.00 C ATOM 0 H ILE A 32 -8.099 5.412 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.654 7.535 -7.832 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.118 5.071 -7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.121 5.111 -8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.823 6.582 -9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.794 3.592 -9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.509 3.932 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.672 4.787 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.071 7.102 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.658 7.659 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.946 6.166 -6.596 1.00 0.00 H new ATOM 722 N TRP A 56 6.970 -14.029 7.734 1.00 0.00 N ATOM 723 CA TRP A 56 5.827 -13.096 7.727 1.00 0.00 C ATOM 724 C TRP A 56 6.048 -11.920 6.756 1.00 0.00 C ATOM 725 O TRP A 56 5.115 -11.501 6.068 1.00 0.00 O ATOM 726 CB TRP A 56 5.579 -12.582 9.157 1.00 0.00 C ATOM 727 CG TRP A 56 6.711 -11.808 9.780 1.00 0.00 C ATOM 728 CD1 TRP A 56 7.668 -12.332 10.579 1.00 0.00 C ATOM 729 CD2 TRP A 56 7.072 -10.392 9.611 1.00 0.00 C ATOM 730 NE1 TRP A 56 8.608 -11.366 10.885 1.00 0.00 N ATOM 731 CE2 TRP A 56 8.313 -10.166 10.277 1.00 0.00 C ATOM 732 CE3 TRP A 56 6.499 -9.291 8.934 1.00 0.00 C ATOM 733 CZ2 TRP A 56 8.984 -8.937 10.219 1.00 0.00 C ATOM 734 CZ3 TRP A 56 7.161 -8.049 8.874 1.00 0.00 C ATOM 735 CH2 TRP A 56 8.408 -7.881 9.494 1.00 0.00 C ATOM 0 HA TRP A 56 4.948 -13.636 7.375 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.693 -11.948 9.146 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.353 -13.436 9.796 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.694 -13.354 10.927 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.418 -11.522 11.485 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.538 -9.404 8.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.929 -8.804 10.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.706 -7.222 8.348 1.00 0.00 H new ATOM 0 HH2 TRP A 56 8.927 -6.937 9.414 1.00 0.00 H new ATOM 746 N LYS A 57 7.289 -11.416 6.665 1.00 0.00 N ATOM 747 CA LYS A 57 7.678 -10.316 5.769 1.00 0.00 C ATOM 748 C LYS A 57 7.608 -10.695 4.290 1.00 0.00 C ATOM 749 O LYS A 57 7.233 -9.875 3.447 1.00 0.00 O ATOM 750 CB LYS A 57 9.053 -9.743 6.186 1.00 0.00 C ATOM 751 CG LYS A 57 10.331 -10.548 5.875 1.00 0.00 C ATOM 752 CD LYS A 57 10.484 -11.871 6.653 1.00 0.00 C ATOM 753 CE LYS A 57 11.924 -12.412 6.596 1.00 0.00 C ATOM 754 NZ LYS A 57 12.348 -12.777 5.220 1.00 0.00 N1+ ATOM 0 H LYS A 57 8.066 -11.769 7.224 1.00 0.00 H new ATOM 0 HA LYS A 57 6.942 -9.520 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.158 -8.766 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.025 -9.575 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.350 -10.769 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.196 -9.920 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.196 -11.715 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.801 -12.614 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.606 -11.660 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.004 -13.288 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.318 -13.151 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.707 -13.502 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.316 -11.934 4.612 1.00 0.00 H new ATOM 768 N ASP A 58 7.924 -11.954 3.977 1.00 0.00 N ATOM 769 CA ASP A 58 7.812 -12.515 2.622 1.00 0.00 C ATOM 770 C ASP A 58 6.344 -12.771 2.249 1.00 0.00 C ATOM 771 O ASP A 58 5.917 -12.384 1.164 1.00 0.00 O ATOM 772 CB ASP A 58 8.638 -13.806 2.510 1.00 0.00 C ATOM 773 CG ASP A 58 10.091 -13.627 2.960 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.780 -12.688 2.496 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.566 -14.421 3.803 1.00 0.00 O1- ATOM 0 H ASP A 58 8.270 -12.624 4.664 1.00 0.00 H new ATOM 0 HA ASP A 58 8.211 -11.786 1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.170 -14.584 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.623 -14.152 1.476 1.00 0.00 H new ATOM 780 N ASP A 59 5.553 -13.353 3.160 1.00 0.00 N ATOM 781 CA ASP A 59 4.118 -13.616 2.979 1.00 0.00 C ATOM 782 C ASP A 59 3.326 -12.318 2.720 1.00 0.00 C ATOM 783 O ASP A 59 2.548 -12.228 1.766 1.00 0.00 O ATOM 784 CB ASP A 59 3.596 -14.347 4.227 1.00 0.00 C ATOM 785 CG ASP A 59 2.118 -14.770 4.169 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.487 -14.861 5.252 1.00 0.00 O ATOM 787 OD2 ASP A 59 1.590 -15.035 3.065 1.00 0.00 O1- ATOM 0 H ASP A 59 5.902 -13.662 4.067 1.00 0.00 H new ATOM 0 HA ASP A 59 3.976 -14.242 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.206 -15.236 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.738 -13.701 5.093 1.00 0.00 H new ATOM 792 N TYR A 60 3.580 -11.278 3.528 1.00 0.00 N ATOM 793 CA TYR A 60 2.979 -9.946 3.386 1.00 0.00 C ATOM 794 C TYR A 60 3.356 -9.291 2.046 1.00 0.00 C ATOM 795 O TYR A 60 2.473 -8.927 1.274 1.00 0.00 O ATOM 796 CB TYR A 60 3.394 -9.096 4.599 1.00 0.00 C ATOM 797 CG TYR A 60 2.771 -7.717 4.688 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.583 -6.569 4.795 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.368 -7.588 4.726 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.998 -5.300 4.955 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.783 -6.318 4.883 1.00 0.00 C ATOM 802 CZ TYR A 60 1.594 -5.170 4.998 1.00 0.00 C ATOM 803 OH TYR A 60 1.031 -3.949 5.190 1.00 0.00 O ATOM 0 H TYR A 60 4.224 -11.343 4.316 1.00 0.00 H new ATOM 0 HA TYR A 60 1.892 -10.030 3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.143 -9.646 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.478 -8.983 4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.658 -6.665 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.742 -8.464 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.624 -4.425 5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.292 -6.222 4.916 1.00 0.00 H new ATOM 0 HH TYR A 60 0.055 -4.036 5.192 1.00 0.00 H new ATOM 813 N LEU A 61 4.646 -9.193 1.720 1.00 0.00 N ATOM 814 CA LEU A 61 5.094 -8.568 0.465 1.00 0.00 C ATOM 815 C LEU A 61 4.642 -9.346 -0.791 1.00 0.00 C ATOM 816 O LEU A 61 4.259 -8.733 -1.791 1.00 0.00 O ATOM 817 CB LEU A 61 6.622 -8.398 0.545 1.00 0.00 C ATOM 818 CG LEU A 61 7.248 -7.649 -0.643 1.00 0.00 C ATOM 819 CD1 LEU A 61 6.771 -6.197 -0.759 1.00 0.00 C ATOM 820 CD2 LEU A 61 8.772 -7.625 -0.487 1.00 0.00 C ATOM 0 H LEU A 61 5.405 -9.539 2.307 1.00 0.00 H new ATOM 0 HA LEU A 61 4.622 -7.592 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.867 -7.864 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.080 -9.384 0.618 1.00 0.00 H new ATOM 0 HG LEU A 61 6.937 -8.184 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.250 -5.724 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.689 -6.179 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.035 -5.654 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.216 -7.094 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.035 -7.117 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.151 -8.647 -0.462 1.00 0.00 H new ATOM 832 N SER A 62 4.624 -10.686 -0.726 1.00 0.00 N ATOM 833 CA SER A 62 4.201 -11.574 -1.823 1.00 0.00 C ATOM 834 C SER A 62 2.720 -11.438 -2.176 1.00 0.00 C ATOM 835 O SER A 62 2.375 -11.539 -3.352 1.00 0.00 O ATOM 836 CB SER A 62 4.533 -13.027 -1.468 1.00 0.00 C ATOM 837 OG SER A 62 4.129 -13.926 -2.492 1.00 0.00 O ATOM 0 H SER A 62 4.910 -11.196 0.110 1.00 0.00 H new ATOM 0 HA SER A 62 4.755 -11.268 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.606 -13.124 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.040 -13.295 -0.534 1.00 0.00 H new ATOM 0 HG SER A 62 3.361 -14.450 -2.183 1.00 0.00 H new ATOM 843 N ARG A 63 1.823 -11.181 -1.205 1.00 0.00 N ATOM 844 CA ARG A 63 0.411 -10.860 -1.503 1.00 0.00 C ATOM 845 C ARG A 63 0.209 -9.396 -1.912 1.00 0.00 C ATOM 846 O ARG A 63 -0.511 -9.144 -2.875 1.00 0.00 O ATOM 847 CB ARG A 63 -0.543 -11.356 -0.391 1.00 0.00 C ATOM 848 CG ARG A 63 -0.541 -10.558 0.923 1.00 0.00 C ATOM 849 CD ARG A 63 -1.267 -11.291 2.067 1.00 0.00 C ATOM 850 NE ARG A 63 -2.701 -11.526 1.799 1.00 0.00 N ATOM 851 CZ ARG A 63 -3.554 -12.155 2.588 1.00 0.00 C ATOM 852 NH1 ARG A 63 -4.797 -12.243 2.238 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -3.213 -12.687 3.730 1.00 0.00 N ATOM 0 H ARG A 63 2.048 -11.189 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 63 0.130 -11.426 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.558 -11.356 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.290 -12.391 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.489 -10.359 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.017 -9.592 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.777 -12.248 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.167 -10.708 2.983 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.069 -11.167 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.110 -11.829 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.463 -12.727 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.247 -12.628 4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.913 -13.162 4.301 1.00 0.00 H new ATOM 867 N LEU A 64 0.910 -8.443 -1.283 1.00 0.00 N ATOM 868 CA LEU A 64 0.825 -7.002 -1.599 1.00 0.00 C ATOM 869 C LEU A 64 1.107 -6.677 -3.079 1.00 0.00 C ATOM 870 O LEU A 64 0.434 -5.817 -3.647 1.00 0.00 O ATOM 871 CB LEU A 64 1.800 -6.219 -0.692 1.00 0.00 C ATOM 872 CG LEU A 64 1.115 -5.437 0.445 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.325 -6.304 1.421 1.00 0.00 C ATOM 874 CD2 LEU A 64 2.154 -4.649 1.244 1.00 0.00 C ATOM 0 H LEU A 64 1.564 -8.650 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.205 -6.698 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.515 -6.918 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.369 -5.521 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 64 0.403 -4.779 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.123 -5.672 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.461 -6.834 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.994 -7.025 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.658 -4.100 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.882 -5.338 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.664 -3.946 0.585 1.00 0.00 H new ATOM 886 N SER A 65 2.046 -7.369 -3.729 1.00 0.00 N ATOM 887 CA SER A 65 2.372 -7.145 -5.151 1.00 0.00 C ATOM 888 C SER A 65 1.233 -7.535 -6.118 1.00 0.00 C ATOM 889 O SER A 65 1.160 -7.004 -7.231 1.00 0.00 O ATOM 890 CB SER A 65 3.666 -7.883 -5.511 1.00 0.00 C ATOM 891 OG SER A 65 3.497 -9.283 -5.438 1.00 0.00 O ATOM 0 H SER A 65 2.605 -8.101 -3.290 1.00 0.00 H new ATOM 0 HA SER A 65 2.510 -6.071 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.978 -7.604 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.463 -7.575 -4.834 1.00 0.00 H new ATOM 0 HG SER A 65 4.338 -9.727 -5.674 1.00 0.00 H new ATOM 897 N ARG A 66 0.316 -8.422 -5.700 1.00 0.00 N ATOM 898 CA ARG A 66 -0.827 -8.932 -6.483 1.00 0.00 C ATOM 899 C ARG A 66 -2.061 -8.023 -6.400 1.00 0.00 C ATOM 900 O ARG A 66 -2.885 -8.010 -7.318 1.00 0.00 O ATOM 901 CB ARG A 66 -1.180 -10.355 -6.014 1.00 0.00 C ATOM 902 CG ARG A 66 0.037 -11.300 -5.950 1.00 0.00 C ATOM 903 CD ARG A 66 -0.331 -12.680 -5.400 1.00 0.00 C ATOM 904 NE ARG A 66 0.885 -13.377 -4.936 1.00 0.00 N ATOM 905 CZ ARG A 66 1.307 -14.596 -5.211 1.00 0.00 C ATOM 906 NH1 ARG A 66 0.660 -15.396 -6.014 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 2.403 -15.040 -4.672 1.00 0.00 N ATOM 0 H ARG A 66 0.351 -8.824 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.522 -8.948 -7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.640 -10.300 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.924 -10.778 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.462 -11.410 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.808 -10.854 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.038 -12.576 -4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.826 -13.269 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 66 1.486 -12.838 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.206 -15.085 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.020 -16.332 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.936 -14.446 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.730 -15.983 -4.884 1.00 0.00 H new ATOM 921 N LEU A 67 -2.185 -7.252 -5.318 1.00 0.00 N ATOM 922 CA LEU A 67 -3.243 -6.261 -5.093 1.00 0.00 C ATOM 923 C LEU A 67 -3.094 -5.050 -6.036 1.00 0.00 C ATOM 924 O LEU A 67 -1.982 -4.682 -6.438 1.00 0.00 O ATOM 925 CB LEU A 67 -3.227 -5.841 -3.602 1.00 0.00 C ATOM 926 CG LEU A 67 -4.129 -6.696 -2.683 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.760 -8.173 -2.649 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.036 -6.182 -1.249 1.00 0.00 C ATOM 0 H LEU A 67 -1.525 -7.302 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.211 -6.706 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.202 -5.894 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.539 -4.799 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.133 -6.605 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.440 -8.703 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.838 -8.591 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.738 -8.284 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.673 -6.787 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.004 -6.248 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.365 -5.143 -1.213 1.00 0.00 H new ATOM 940 N SER A 68 -4.215 -4.415 -6.389 1.00 0.00 N ATOM 941 CA SER A 68 -4.241 -3.139 -7.124 1.00 0.00 C ATOM 942 C SER A 68 -3.739 -1.957 -6.273 1.00 0.00 C ATOM 943 O SER A 68 -3.634 -2.059 -5.049 1.00 0.00 O ATOM 944 CB SER A 68 -5.659 -2.841 -7.627 1.00 0.00 C ATOM 945 OG SER A 68 -6.512 -2.444 -6.569 1.00 0.00 O ATOM 0 H SER A 68 -5.145 -4.774 -6.171 1.00 0.00 H new ATOM 0 HA SER A 68 -3.562 -3.250 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.621 -2.054 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.068 -3.727 -8.112 1.00 0.00 H new ATOM 0 HG SER A 68 -7.407 -2.260 -6.922 1.00 0.00 H new ATOM 951 N LYS A 69 -3.482 -0.800 -6.906 1.00 0.00 N ATOM 952 CA LYS A 69 -3.175 0.460 -6.201 1.00 0.00 C ATOM 953 C LYS A 69 -4.304 0.868 -5.237 1.00 0.00 C ATOM 954 O LYS A 69 -4.030 1.309 -4.123 1.00 0.00 O ATOM 955 CB LYS A 69 -2.868 1.546 -7.254 1.00 0.00 C ATOM 956 CG LYS A 69 -2.685 2.975 -6.700 1.00 0.00 C ATOM 957 CD LYS A 69 -1.585 3.120 -5.638 1.00 0.00 C ATOM 958 CE LYS A 69 -1.551 4.548 -5.077 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.827 5.484 -5.970 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.481 -0.710 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.297 0.324 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.961 1.263 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.677 1.559 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.459 3.645 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.630 3.307 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.759 2.411 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.617 2.873 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.571 4.904 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.073 4.540 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.237 6.436 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.177 5.513 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.913 5.161 -6.955 1.00 0.00 H new ATOM 973 N ASN A 70 -5.566 0.659 -5.617 1.00 0.00 N ATOM 974 CA ASN A 70 -6.721 0.938 -4.754 1.00 0.00 C ATOM 975 C ASN A 70 -6.757 0.017 -3.521 1.00 0.00 C ATOM 976 O ASN A 70 -6.964 0.486 -2.401 1.00 0.00 O ATOM 977 CB ASN A 70 -8.015 0.809 -5.570 1.00 0.00 C ATOM 978 CG ASN A 70 -8.037 1.727 -6.778 1.00 0.00 C ATOM 979 OD1 ASN A 70 -8.460 2.956 -6.610 1.00 0.00 O flip ATOM 980 ND2 ASN A 70 -7.667 1.344 -7.878 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.819 0.291 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.628 1.958 -4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.130 -0.223 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.868 1.036 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.339 0.386 -8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.686 1.982 -8.673 1.00 0.00 H new ATOM 987 N GLN A 71 -6.490 -1.279 -3.706 1.00 0.00 N ATOM 988 CA GLN A 71 -6.388 -2.250 -2.613 1.00 0.00 C ATOM 989 C GLN A 71 -5.180 -1.973 -1.699 1.00 0.00 C ATOM 990 O GLN A 71 -5.306 -2.064 -0.478 1.00 0.00 O ATOM 991 CB GLN A 71 -6.306 -3.663 -3.206 1.00 0.00 C ATOM 992 CG GLN A 71 -7.634 -4.144 -3.808 1.00 0.00 C ATOM 993 CD GLN A 71 -7.502 -5.540 -4.422 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.684 -5.785 -5.298 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.283 -6.505 -3.981 1.00 0.00 N ATOM 0 H GLN A 71 -6.337 -1.688 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.277 -2.159 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.537 -3.682 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.994 -4.359 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.401 -4.158 -3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.964 -3.440 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.969 -6.313 -3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.202 -7.445 -4.370 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.028 -1.578 -2.261 1.00 0.00 N ATOM 1005 CA LEU A 72 -2.832 -1.161 -1.508 1.00 0.00 C ATOM 1006 C LEU A 72 -3.094 0.063 -0.615 1.00 0.00 C ATOM 1007 O LEU A 72 -2.624 0.105 0.527 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.674 -0.876 -2.485 1.00 0.00 C ATOM 1009 CG LEU A 72 -0.950 -2.143 -2.961 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.210 -1.865 -4.264 1.00 0.00 C ATOM 1011 CD2 LEU A 72 0.092 -2.584 -1.931 1.00 0.00 C ATOM 0 H LEU A 72 -3.897 -1.538 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.560 -1.982 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.063 -0.342 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.954 -0.216 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.701 -2.921 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.300 -2.770 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.922 -1.552 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.522 -1.073 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.595 -3.484 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.825 -1.789 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.401 -2.794 -0.982 1.00 0.00 H new ATOM 1023 N MET A 73 -3.880 1.032 -1.090 1.00 0.00 N ATOM 1024 CA MET A 73 -4.345 2.153 -0.262 1.00 0.00 C ATOM 1025 C MET A 73 -5.371 1.713 0.789 1.00 0.00 C ATOM 1026 O MET A 73 -5.290 2.139 1.937 1.00 0.00 O ATOM 1027 CB MET A 73 -4.925 3.257 -1.150 1.00 0.00 C ATOM 1028 CG MET A 73 -3.818 3.956 -1.942 1.00 0.00 C ATOM 1029 SD MET A 73 -4.318 5.503 -2.737 1.00 0.00 S ATOM 1030 CE MET A 73 -5.416 4.903 -4.041 1.00 0.00 C ATOM 0 H MET A 73 -4.212 1.064 -2.054 1.00 0.00 H new ATOM 0 HA MET A 73 -3.482 2.541 0.279 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.656 2.831 -1.837 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.453 3.985 -0.534 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.984 4.161 -1.271 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.450 3.272 -2.707 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.975 5.740 -4.460 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.825 4.432 -4.826 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.112 4.175 -3.624 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.313 0.831 0.437 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.369 0.382 1.340 1.00 0.00 C ATOM 1042 C ALA A 74 -6.857 -0.485 2.514 1.00 0.00 C ATOM 1043 O ALA A 74 -7.301 -0.290 3.647 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.428 -0.347 0.506 1.00 0.00 C ATOM 0 H ALA A 74 -6.361 0.408 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.805 1.256 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.230 -0.693 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.836 0.335 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.972 -1.202 0.006 1.00 0.00 H new ATOM 1050 N LEU A 75 -5.893 -1.385 2.285 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.274 -2.173 3.361 1.00 0.00 C ATOM 1052 C LEU A 75 -4.486 -1.276 4.328 1.00 0.00 C ATOM 1053 O LEU A 75 -4.553 -1.471 5.544 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.454 -3.348 2.776 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.029 -3.033 2.271 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -1.959 -3.262 3.344 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -2.652 -3.913 1.083 1.00 0.00 C ATOM 0 H LEU A 75 -5.522 -1.588 1.357 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.058 -2.628 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.378 -4.121 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.019 -3.775 1.947 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.055 -1.980 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.977 -3.025 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.160 -2.619 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.978 -4.305 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.643 -3.665 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.689 -4.961 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.354 -3.742 0.266 1.00 0.00 H new ATOM 1069 N ALA A 76 -3.802 -0.248 3.810 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.098 0.758 4.603 1.00 0.00 C ATOM 1071 C ALA A 76 -4.062 1.617 5.449 1.00 0.00 C ATOM 1072 O ALA A 76 -3.801 1.883 6.623 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.238 1.606 3.660 1.00 0.00 C ATOM 0 H ALA A 76 -3.723 -0.092 2.805 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.453 0.259 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.705 2.363 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.519 0.966 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.877 2.093 2.924 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.212 2.003 4.882 1.00 0.00 N ATOM 1080 CA LEU A 77 -6.284 2.718 5.581 1.00 0.00 C ATOM 1081 C LEU A 77 -6.835 1.887 6.752 1.00 0.00 C ATOM 1082 O LEU A 77 -6.879 2.374 7.887 1.00 0.00 O ATOM 1083 CB LEU A 77 -7.373 3.088 4.548 1.00 0.00 C ATOM 1084 CG LEU A 77 -8.277 4.298 4.858 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -9.139 4.135 6.110 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -7.477 5.598 4.979 1.00 0.00 C ATOM 0 H LEU A 77 -5.427 1.822 3.901 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.899 3.635 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.880 3.274 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.014 2.217 4.411 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.948 4.350 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.743 5.030 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.793 3.271 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.496 3.987 6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.155 6.423 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.749 5.503 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.957 5.794 4.041 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.181 0.614 6.511 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.704 -0.301 7.544 1.00 0.00 C ATOM 1100 C LYS A 78 -6.719 -0.522 8.692 1.00 0.00 C ATOM 1101 O LYS A 78 -7.114 -0.387 9.852 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.141 -1.640 6.926 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.473 -1.501 6.164 1.00 0.00 C ATOM 1104 CD LYS A 78 -9.897 -2.842 5.541 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.194 -2.710 4.729 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.400 -2.666 5.595 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.106 0.185 5.589 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.580 0.184 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.367 -1.998 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.246 -2.388 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.250 -1.151 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.371 -0.749 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.100 -3.211 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.036 -3.581 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.151 -1.804 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.275 -3.550 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.167 -2.171 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.702 -3.636 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.177 -2.160 6.476 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.439 -0.807 8.404 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.433 -1.044 9.453 1.00 0.00 C ATOM 1122 C LEU A 79 -4.078 0.221 10.256 1.00 0.00 C ATOM 1123 O LEU A 79 -3.682 0.099 11.420 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.220 -1.812 8.899 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.280 -1.052 7.948 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.251 -0.162 8.658 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.487 -2.053 7.104 1.00 0.00 C ATOM 0 H LEU A 79 -5.076 -0.879 7.454 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.887 -1.698 10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.630 -2.167 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.589 -2.694 8.375 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.930 -0.412 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.628 0.338 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.769 0.585 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.623 -0.776 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.821 -1.514 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.898 -2.695 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.176 -2.664 6.521 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.268 1.426 9.693 1.00 0.00 N ATOM 1140 CA LYS A 80 -4.164 2.700 10.432 1.00 0.00 C ATOM 1141 C LYS A 80 -5.392 2.967 11.311 1.00 0.00 C ATOM 1142 O LYS A 80 -5.243 3.380 12.463 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.901 3.857 9.443 1.00 0.00 C ATOM 1144 CG LYS A 80 -3.589 5.149 10.213 1.00 0.00 C ATOM 1145 CD LYS A 80 -3.199 6.320 9.305 1.00 0.00 C ATOM 1146 CE LYS A 80 -2.803 7.509 10.192 1.00 0.00 C ATOM 1147 NZ LYS A 80 -2.441 8.706 9.393 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.499 1.547 8.707 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.319 2.627 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.067 3.604 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.772 4.006 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.461 5.431 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.778 4.958 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.370 6.037 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.032 6.591 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.630 7.755 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.960 7.226 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.915 9.376 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.848 8.420 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.306 9.163 9.040 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.596 2.676 10.819 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.849 2.935 11.538 1.00 0.00 C ATOM 1163 C GLN A 81 -7.961 2.094 12.821 1.00 0.00 C ATOM 1164 O GLN A 81 -8.431 2.581 13.851 1.00 0.00 O ATOM 1165 CB GLN A 81 -9.024 2.693 10.575 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.401 2.991 11.196 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.504 3.157 10.150 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -12.239 4.139 10.131 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.655 2.231 9.221 1.00 0.00 N ATOM 0 H GLN A 81 -6.733 2.250 9.902 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.869 3.973 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.892 3.315 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.002 1.655 10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.670 2.182 11.875 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.335 3.900 11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.054 1.407 9.220 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.373 2.340 8.505 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.497 0.839 12.777 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.490 -0.070 13.927 1.00 0.00 C ATOM 1180 C GLN A 82 -6.326 0.161 14.914 1.00 0.00 C ATOM 1181 O GLN A 82 -6.484 -0.136 16.101 1.00 0.00 O ATOM 1182 CB GLN A 82 -7.561 -1.522 13.415 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.309 -2.002 12.665 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.208 -2.557 13.571 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -5.433 -3.329 14.493 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -3.963 -2.197 13.343 1.00 0.00 N ATOM 0 H GLN A 82 -7.111 0.422 11.930 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.374 0.147 14.527 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.735 -2.184 14.264 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.422 -1.618 12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.600 -2.773 11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.904 -1.171 12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.749 -1.554 12.580 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.212 -2.561 13.929 1.00 0.00 H new ATOM 1403 N GLU B 111 8.801 6.667 7.889 1.00 0.00 N ATOM 1404 CA GLU B 111 8.657 5.992 6.598 1.00 0.00 C ATOM 1405 C GLU B 111 8.263 6.935 5.459 1.00 0.00 C ATOM 1406 O GLU B 111 8.876 6.904 4.392 1.00 0.00 O ATOM 1407 CB GLU B 111 7.636 4.847 6.716 1.00 0.00 C ATOM 1408 CG GLU B 111 8.044 3.722 7.683 1.00 0.00 C ATOM 1409 CD GLU B 111 7.825 4.002 9.189 1.00 0.00 C ATOM 1410 OE1 GLU B 111 7.240 5.046 9.569 1.00 0.00 O ATOM 1411 OE2 GLU B 111 8.235 3.153 10.017 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.639 5.594 6.342 1.00 0.00 H new ATOM 0 HB2 GLU B 111 6.682 5.261 7.043 1.00 0.00 H new ATOM 0 HB3 GLU B 111 7.475 4.418 5.727 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.487 2.823 7.417 1.00 0.00 H new ATOM 0 HG3 GLU B 111 9.100 3.501 7.526 1.00 0.00 H new ATOM 1418 N LEU B 112 7.281 7.817 5.681 1.00 0.00 N ATOM 1419 CA LEU B 112 6.776 8.724 4.647 1.00 0.00 C ATOM 1420 C LEU B 112 7.852 9.724 4.177 1.00 0.00 C ATOM 1421 O LEU B 112 7.877 10.088 3.002 1.00 0.00 O ATOM 1422 CB LEU B 112 5.528 9.474 5.158 1.00 0.00 C ATOM 1423 CG LEU B 112 4.206 8.680 5.279 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.776 8.050 3.949 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.231 7.590 6.350 1.00 0.00 C ATOM 0 H LEU B 112 6.815 7.921 6.583 1.00 0.00 H new ATOM 0 HA LEU B 112 6.501 8.117 3.785 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.763 9.884 6.140 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.351 10.320 4.494 1.00 0.00 H new ATOM 0 HG LEU B 112 3.478 9.433 5.581 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.843 7.505 4.090 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.630 8.834 3.206 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.549 7.363 3.605 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.268 7.080 6.372 1.00 0.00 H new ATOM 0 HD22 LEU B 112 5.017 6.871 6.119 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.425 8.041 7.323 1.00 0.00 H new ATOM 1437 N SER B 113 8.762 10.136 5.072 1.00 0.00 N ATOM 1438 CA SER B 113 9.918 10.978 4.743 1.00 0.00 C ATOM 1439 C SER B 113 11.028 10.201 4.023 1.00 0.00 C ATOM 1440 O SER B 113 11.578 10.685 3.031 1.00 0.00 O ATOM 1441 CB SER B 113 10.497 11.614 6.015 1.00 0.00 C ATOM 1442 OG SER B 113 9.516 12.387 6.692 1.00 0.00 O ATOM 0 H SER B 113 8.713 9.889 6.060 1.00 0.00 H new ATOM 0 HA SER B 113 9.555 11.751 4.066 1.00 0.00 H new ATOM 0 HB2 SER B 113 10.871 10.834 6.678 1.00 0.00 H new ATOM 0 HB3 SER B 113 11.347 12.246 5.755 1.00 0.00 H new ATOM 0 HG SER B 113 9.909 12.780 7.499 1.00 0.00 H new ATOM 1448 N GLU B 114 11.361 8.988 4.479 1.00 0.00 N ATOM 1449 CA GLU B 114 12.447 8.162 3.919 1.00 0.00 C ATOM 1450 C GLU B 114 12.126 7.633 2.508 1.00 0.00 C ATOM 1451 O GLU B 114 12.943 7.769 1.595 1.00 0.00 O ATOM 1452 CB GLU B 114 12.758 7.006 4.888 1.00 0.00 C ATOM 1453 CG GLU B 114 13.886 6.065 4.416 1.00 0.00 C ATOM 1454 CD GLU B 114 15.249 6.754 4.198 1.00 0.00 C ATOM 1455 OE1 GLU B 114 16.078 6.227 3.417 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.533 7.808 4.818 1.00 0.00 O1- ATOM 0 H GLU B 114 10.879 8.542 5.259 1.00 0.00 H new ATOM 0 HA GLU B 114 13.328 8.795 3.809 1.00 0.00 H new ATOM 0 HB2 GLU B 114 13.031 7.424 5.857 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.851 6.420 5.038 1.00 0.00 H new ATOM 0 HG2 GLU B 114 14.009 5.270 5.151 1.00 0.00 H new ATOM 0 HG3 GLU B 114 13.580 5.592 3.483 1.00 0.00 H new ATOM 1463 N ILE B 115 10.931 7.063 2.322 1.00 0.00 N ATOM 1464 CA ILE B 115 10.459 6.468 1.061 1.00 0.00 C ATOM 1465 C ILE B 115 10.264 7.516 -0.056 1.00 0.00 C ATOM 1466 O ILE B 115 10.367 7.186 -1.245 1.00 0.00 O ATOM 1467 CB ILE B 115 9.194 5.620 1.338 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.460 4.437 2.311 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.551 5.081 0.052 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.598 3.488 1.934 1.00 0.00 C ATOM 0 H ILE B 115 10.240 6.999 3.069 1.00 0.00 H new ATOM 0 HA ILE B 115 11.232 5.804 0.674 1.00 0.00 H new ATOM 0 HB ILE B 115 8.498 6.310 1.815 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.671 4.848 3.298 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.543 3.854 2.398 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.668 4.494 0.305 1.00 0.00 H new ATOM 0 HG22 ILE B 115 8.261 5.915 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE B 115 9.267 4.451 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.685 2.706 2.689 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.388 3.035 0.965 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.533 4.045 1.880 1.00 0.00 H new ATOM 1482 N GLU B 116 10.039 8.791 0.287 1.00 0.00 N ATOM 1483 CA GLU B 116 10.040 9.919 -0.663 1.00 0.00 C ATOM 1484 C GLU B 116 11.451 10.427 -1.029 1.00 0.00 C ATOM 1485 O GLU B 116 11.639 10.996 -2.107 1.00 0.00 O ATOM 1486 CB GLU B 116 9.222 11.081 -0.077 1.00 0.00 C ATOM 1487 CG GLU B 116 7.715 10.811 -0.154 1.00 0.00 C ATOM 1488 CD GLU B 116 6.870 11.919 0.505 1.00 0.00 C ATOM 1489 OE1 GLU B 116 5.619 11.818 0.485 1.00 0.00 O ATOM 1490 OE2 GLU B 116 7.411 12.896 1.075 1.00 0.00 O1- ATOM 0 H GLU B 116 9.848 9.076 1.248 1.00 0.00 H new ATOM 0 HA GLU B 116 9.594 9.545 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.510 11.241 0.962 1.00 0.00 H new ATOM 0 HB3 GLU B 116 9.455 11.999 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU B 116 7.422 10.712 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU B 116 7.497 9.859 0.330 1.00 0.00 H new ATOM 1497 N GLY B 117 12.449 10.230 -0.158 1.00 0.00 N ATOM 1498 CA GLY B 117 13.837 10.677 -0.378 1.00 0.00 C ATOM 1499 C GLY B 117 14.659 9.753 -1.295 1.00 0.00 C ATOM 1500 O GLY B 117 15.473 10.227 -2.093 1.00 0.00 O ATOM 0 H GLY B 117 12.317 9.750 0.732 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.821 11.678 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY B 117 14.339 10.754 0.586 1.00 0.00 H new ATOM 1504 N LEU B 118 14.428 8.439 -1.199 1.00 0.00 N ATOM 1505 CA LEU B 118 15.041 7.392 -2.040 1.00 0.00 C ATOM 1506 C LEU B 118 14.419 7.303 -3.453 1.00 0.00 C ATOM 1507 O LEU B 118 13.460 8.016 -3.771 1.00 0.00 O ATOM 1508 CB LEU B 118 15.031 6.071 -1.248 1.00 0.00 C ATOM 1509 CG LEU B 118 13.665 5.468 -0.870 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.874 4.880 -2.037 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.883 4.348 0.150 1.00 0.00 C ATOM 0 H LEU B 118 13.784 8.055 -0.507 1.00 0.00 H new ATOM 0 HA LEU B 118 16.078 7.651 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.575 5.328 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.593 6.229 -0.328 1.00 0.00 H new ATOM 0 HG LEU B 118 13.079 6.299 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU B 118 11.928 4.480 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.678 5.660 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.451 4.080 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU B 118 12.922 3.914 0.425 1.00 0.00 H new ATOM 0 HD22 LEU B 118 14.518 3.577 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU B 118 14.365 4.754 1.039 1.00 0.00 H new ATOM 1523 N GLN B 119 14.958 6.426 -4.309 1.00 0.00 N ATOM 1524 CA GLN B 119 14.520 6.220 -5.699 1.00 0.00 C ATOM 1525 C GLN B 119 14.309 4.734 -6.059 1.00 0.00 C ATOM 1526 O GLN B 119 14.527 3.839 -5.244 1.00 0.00 O ATOM 1527 CB GLN B 119 15.478 6.951 -6.662 1.00 0.00 C ATOM 1528 CG GLN B 119 16.899 6.365 -6.740 1.00 0.00 C ATOM 1529 CD GLN B 119 17.935 7.339 -6.185 1.00 0.00 C ATOM 1530 OE1 GLN B 119 18.496 8.172 -6.887 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.206 7.279 -4.902 1.00 0.00 N ATOM 0 H GLN B 119 15.736 5.820 -4.047 1.00 0.00 H new ATOM 0 HA GLN B 119 13.530 6.662 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.042 6.940 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN B 119 15.549 7.995 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN B 119 16.940 5.430 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.140 6.127 -7.776 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.741 6.587 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN B 119 18.882 7.924 -4.493 1.00 0.00 H new ATOM 1540 N ASP B 120 13.879 4.457 -7.296 1.00 0.00 N ATOM 1541 CA ASP B 120 13.479 3.113 -7.755 1.00 0.00 C ATOM 1542 C ASP B 120 14.594 2.057 -7.635 1.00 0.00 C ATOM 1543 O ASP B 120 14.302 0.881 -7.404 1.00 0.00 O ATOM 1544 CB ASP B 120 12.990 3.168 -9.216 1.00 0.00 C ATOM 1545 CG ASP B 120 11.807 4.112 -9.499 1.00 0.00 C ATOM 1546 OD1 ASP B 120 11.124 4.574 -8.554 1.00 0.00 O ATOM 1547 OD2 ASP B 120 11.526 4.358 -10.699 1.00 0.00 O1- ATOM 0 H ASP B 120 13.796 5.169 -8.021 1.00 0.00 H new ATOM 0 HA ASP B 120 12.673 2.802 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP B 120 13.827 3.468 -9.847 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.706 2.161 -9.521 1.00 0.00 H new ATOM 1552 N ASP B 121 15.867 2.449 -7.747 1.00 0.00 N ATOM 1553 CA ASP B 121 17.018 1.554 -7.528 1.00 0.00 C ATOM 1554 C ASP B 121 17.113 1.060 -6.069 1.00 0.00 C ATOM 1555 O ASP B 121 17.507 -0.082 -5.817 1.00 0.00 O ATOM 1556 CB ASP B 121 18.322 2.274 -7.913 1.00 0.00 C ATOM 1557 CG ASP B 121 18.414 2.707 -9.389 1.00 0.00 C ATOM 1558 OD1 ASP B 121 19.225 3.615 -9.690 1.00 0.00 O ATOM 1559 OD2 ASP B 121 17.725 2.129 -10.267 1.00 0.00 O1- ATOM 0 H ASP B 121 16.134 3.402 -7.994 1.00 0.00 H new ATOM 0 HA ASP B 121 16.869 0.679 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.432 3.157 -7.283 1.00 0.00 H new ATOM 0 HB3 ASP B 121 19.162 1.617 -7.690 1.00 0.00 H new ATOM 1564 N ASP B 122 16.712 1.896 -5.104 1.00 0.00 N ATOM 1565 CA ASP B 122 16.636 1.547 -3.677 1.00 0.00 C ATOM 1566 C ASP B 122 15.385 0.708 -3.362 1.00 0.00 C ATOM 1567 O ASP B 122 15.444 -0.223 -2.555 1.00 0.00 O ATOM 1568 CB ASP B 122 16.640 2.817 -2.814 1.00 0.00 C ATOM 1569 CG ASP B 122 17.726 3.827 -3.214 1.00 0.00 C ATOM 1570 OD1 ASP B 122 17.365 4.977 -3.564 1.00 0.00 O ATOM 1571 OD2 ASP B 122 18.930 3.487 -3.152 1.00 0.00 O1- ATOM 0 H ASP B 122 16.425 2.856 -5.296 1.00 0.00 H new ATOM 0 HA ASP B 122 17.514 0.946 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.664 3.298 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.782 2.537 -1.770 1.00 0.00 H new ATOM 1576 N LEU B 123 14.260 0.987 -4.030 1.00 0.00 N ATOM 1577 CA LEU B 123 13.040 0.167 -3.935 1.00 0.00 C ATOM 1578 C LEU B 123 13.296 -1.261 -4.448 1.00 0.00 C ATOM 1579 O LEU B 123 12.948 -2.229 -3.770 1.00 0.00 O ATOM 1580 CB LEU B 123 11.877 0.837 -4.697 1.00 0.00 C ATOM 1581 CG LEU B 123 11.421 2.194 -4.127 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.391 2.864 -5.036 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.775 2.045 -2.745 1.00 0.00 C ATOM 0 H LEU B 123 14.167 1.789 -4.654 1.00 0.00 H new ATOM 0 HA LEU B 123 12.756 0.093 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.177 0.978 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.025 0.157 -4.701 1.00 0.00 H new ATOM 0 HG LEU B 123 12.323 2.802 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.091 3.819 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU B 123 10.829 3.032 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.517 2.219 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.468 3.025 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.903 1.396 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.494 1.608 -2.052 1.00 0.00 H new ATOM 1595 N ALA B 124 13.971 -1.405 -5.595 1.00 0.00 N ATOM 1596 CA ALA B 124 14.376 -2.707 -6.114 1.00 0.00 C ATOM 1597 C ALA B 124 15.392 -3.437 -5.213 1.00 0.00 C ATOM 1598 O ALA B 124 15.341 -4.664 -5.118 1.00 0.00 O ATOM 1599 CB ALA B 124 14.910 -2.531 -7.538 1.00 0.00 C ATOM 0 H ALA B 124 14.249 -0.621 -6.185 1.00 0.00 H new ATOM 0 HA ALA B 124 13.496 -3.350 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.215 -3.499 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.128 -2.110 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA B 124 15.767 -1.858 -7.525 1.00 0.00 H new ATOM 1605 N ALA B 125 16.267 -2.714 -4.507 1.00 0.00 N ATOM 1606 CA ALA B 125 17.180 -3.302 -3.531 1.00 0.00 C ATOM 1607 C ALA B 125 16.453 -3.819 -2.271 1.00 0.00 C ATOM 1608 O ALA B 125 16.775 -4.910 -1.790 1.00 0.00 O ATOM 1609 CB ALA B 125 18.257 -2.271 -3.172 1.00 0.00 C ATOM 0 H ALA B 125 16.360 -1.702 -4.599 1.00 0.00 H new ATOM 0 HA ALA B 125 17.646 -4.178 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA B 125 18.944 -2.701 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.808 -1.993 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.785 -1.385 -2.747 1.00 0.00 H new ATOM 1615 N LEU B 126 15.475 -3.076 -1.730 1.00 0.00 N ATOM 1616 CA LEU B 126 14.767 -3.451 -0.493 1.00 0.00 C ATOM 1617 C LEU B 126 13.632 -4.474 -0.719 1.00 0.00 C ATOM 1618 O LEU B 126 13.427 -5.337 0.139 1.00 0.00 O ATOM 1619 CB LEU B 126 14.368 -2.177 0.294 1.00 0.00 C ATOM 1620 CG LEU B 126 13.039 -1.490 -0.082 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.876 -2.012 0.766 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.130 0.021 0.169 1.00 0.00 C ATOM 0 H LEU B 126 15.152 -2.198 -2.137 1.00 0.00 H new ATOM 0 HA LEU B 126 15.453 -4.006 0.147 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.324 -2.436 1.352 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.168 -1.446 0.178 1.00 0.00 H new ATOM 0 HG LEU B 126 12.862 -1.707 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.956 -1.506 0.473 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.765 -3.085 0.610 1.00 0.00 H new ATOM 0 HD13 LEU B 126 12.078 -1.818 1.819 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.185 0.492 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.338 0.203 1.223 1.00 0.00 H new ATOM 0 HD23 LEU B 126 13.932 0.443 -0.437 1.00 0.00 H new ATOM 1634 N LEU B 127 12.930 -4.450 -1.867 1.00 0.00 N ATOM 1635 CA LEU B 127 11.984 -5.509 -2.269 1.00 0.00 C ATOM 1636 C LEU B 127 12.706 -6.761 -2.801 1.00 0.00 C ATOM 1637 O LEU B 127 12.270 -7.885 -2.538 1.00 0.00 O ATOM 1638 CB LEU B 127 10.995 -5.002 -3.341 1.00 0.00 C ATOM 1639 CG LEU B 127 9.760 -4.270 -2.786 1.00 0.00 C ATOM 1640 CD1 LEU B 127 10.012 -2.821 -2.390 1.00 0.00 C ATOM 1641 CD2 LEU B 127 8.666 -4.266 -3.854 1.00 0.00 C ATOM 0 H LEU B 127 13.003 -3.692 -2.546 1.00 0.00 H new ATOM 0 HA LEU B 127 11.433 -5.782 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.525 -4.330 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.659 -5.851 -3.936 1.00 0.00 H new ATOM 0 HG LEU B 127 9.475 -4.810 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU B 127 9.090 -2.382 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.778 -2.783 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.349 -2.259 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU B 127 7.786 -3.750 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.029 -3.753 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.402 -5.293 -4.109 1.00 0.00 H new ATOM 1653 N GLY B 128 13.797 -6.586 -3.553 1.00 0.00 N ATOM 1654 CA GLY B 128 14.539 -7.690 -4.175 1.00 0.00 C ATOM 1655 C GLY B 128 13.720 -8.387 -5.268 1.00 0.00 C ATOM 1656 O GLY B 128 13.108 -7.731 -6.115 1.00 0.00 O ATOM 0 H GLY B 128 14.194 -5.667 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY B 128 15.466 -7.308 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.817 -8.416 -3.411 1.00 0.00 H new ATOM 1660 N LYS B 129 13.675 -9.724 -5.242 1.00 0.00 N ATOM 1661 CA LYS B 129 12.937 -10.549 -6.223 1.00 0.00 C ATOM 1662 C LYS B 129 11.410 -10.355 -6.228 1.00 0.00 C ATOM 1663 O LYS B 129 10.769 -10.720 -7.211 1.00 0.00 O ATOM 1664 CB LYS B 129 13.307 -12.026 -6.043 1.00 0.00 C ATOM 1665 CG LYS B 129 12.951 -12.570 -4.652 1.00 0.00 C ATOM 1666 CD LYS B 129 12.890 -14.095 -4.703 1.00 0.00 C ATOM 1667 CE LYS B 129 12.645 -14.724 -3.321 1.00 0.00 C ATOM 1668 NZ LYS B 129 11.281 -14.443 -2.805 1.00 0.00 N1+ ATOM 0 H LYS B 129 14.155 -10.277 -4.532 1.00 0.00 H new ATOM 0 HA LYS B 129 13.255 -10.196 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS B 129 12.794 -12.618 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS B 129 14.377 -12.150 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS B 129 13.695 -12.249 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS B 129 11.992 -12.168 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS B 129 12.095 -14.401 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS B 129 13.825 -14.479 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS B 129 12.792 -15.802 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS B 129 13.383 -14.343 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 11.164 -14.887 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 11.148 -13.415 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 10.574 -14.829 -3.463 1.00 0.00 H new ATOM 1682 N GLU B 130 10.827 -9.760 -5.187 1.00 0.00 N ATOM 1683 CA GLU B 130 9.395 -9.384 -5.117 1.00 0.00 C ATOM 1684 C GLU B 130 9.052 -8.070 -5.861 1.00 0.00 C ATOM 1685 O GLU B 130 7.885 -7.673 -5.911 1.00 0.00 O ATOM 1686 CB GLU B 130 8.955 -9.308 -3.638 1.00 0.00 C ATOM 1687 CG GLU B 130 8.314 -10.601 -3.110 1.00 0.00 C ATOM 1688 CD GLU B 130 9.262 -11.810 -3.167 1.00 0.00 C ATOM 1689 OE1 GLU B 130 10.261 -11.853 -2.409 1.00 0.00 O ATOM 1690 OE2 GLU B 130 9.011 -12.758 -3.945 1.00 0.00 O1- ATOM 0 H GLU B 130 11.342 -9.515 -4.341 1.00 0.00 H new ATOM 0 HA GLU B 130 8.838 -10.164 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU B 130 9.822 -9.067 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU B 130 8.245 -8.489 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU B 130 7.993 -10.446 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.419 -10.820 -3.693 1.00 0.00 H new ATOM 1697 N PHE B 131 10.043 -7.392 -6.451 1.00 0.00 N ATOM 1698 CA PHE B 131 9.857 -6.109 -7.157 1.00 0.00 C ATOM 1699 C PHE B 131 8.937 -6.209 -8.398 1.00 0.00 C ATOM 1700 O PHE B 131 8.843 -7.257 -9.048 1.00 0.00 O ATOM 1701 CB PHE B 131 11.233 -5.521 -7.504 1.00 0.00 C ATOM 1702 CG PHE B 131 11.198 -4.131 -8.117 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.124 -2.998 -7.282 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.230 -3.962 -9.515 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.116 -1.704 -7.841 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.214 -2.672 -10.071 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.166 -1.540 -9.237 1.00 0.00 C ATOM 0 H PHE B 131 11.009 -7.718 -6.454 1.00 0.00 H new ATOM 0 HA PHE B 131 9.332 -5.433 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.837 -5.487 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.736 -6.195 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.073 -3.122 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.267 -4.827 -10.161 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.071 -0.838 -7.197 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.239 -2.549 -11.144 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.168 -0.549 -9.667 1.00 0.00 H new ATOM 1717 N ILE B 132 8.239 -5.115 -8.728 1.00 0.00 N ATOM 1718 CA ILE B 132 7.214 -5.079 -9.791 1.00 0.00 C ATOM 1719 C ILE B 132 7.788 -5.379 -11.193 1.00 0.00 C ATOM 1720 O ILE B 132 8.878 -4.929 -11.543 1.00 0.00 O ATOM 1721 CB ILE B 132 6.427 -3.741 -9.738 1.00 0.00 C ATOM 1722 CG1 ILE B 132 5.044 -3.819 -10.412 1.00 0.00 C ATOM 1723 CG2 ILE B 132 7.185 -2.576 -10.401 1.00 0.00 C ATOM 1724 CD1 ILE B 132 4.066 -4.750 -9.683 1.00 0.00 C ATOM 0 H ILE B 132 8.368 -4.217 -8.262 1.00 0.00 H new ATOM 0 HA ILE B 132 6.510 -5.888 -9.597 1.00 0.00 H new ATOM 0 HB ILE B 132 6.307 -3.557 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.614 -2.818 -10.461 1.00 0.00 H new ATOM 0 HG13 ILE B 132 5.167 -4.164 -11.439 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.587 -1.667 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE B 132 8.136 -2.423 -9.890 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.370 -2.812 -11.449 1.00 0.00 H new ATOM 0 HD11 ILE B 132 3.112 -4.759 -10.209 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.476 -5.760 -9.657 1.00 0.00 H new ATOM 0 HD13 ILE B 132 3.915 -4.393 -8.664 1.00 0.00 H new ATOM 1993 N TRP B 156 -6.700 12.812 9.729 1.00 0.00 N ATOM 1994 CA TRP B 156 -5.663 11.763 9.834 1.00 0.00 C ATOM 1995 C TRP B 156 -5.737 10.709 8.715 1.00 0.00 C ATOM 1996 O TRP B 156 -4.700 10.186 8.292 1.00 0.00 O ATOM 1997 CB TRP B 156 -5.726 11.107 11.225 1.00 0.00 C ATOM 1998 CG TRP B 156 -6.970 10.337 11.562 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -7.986 10.801 12.327 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -7.369 8.986 11.158 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -8.979 9.845 12.423 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -8.659 8.712 11.705 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -6.783 7.965 10.371 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -9.353 7.520 11.441 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -7.468 6.767 10.093 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.758 6.552 10.614 1.00 0.00 C ATOM 0 HA TRP B 156 -4.698 12.253 9.705 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -4.875 10.433 11.320 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -5.599 11.889 11.974 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -8.016 11.775 12.793 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -9.840 9.962 12.957 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -5.788 8.109 9.975 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -10.330 7.350 11.868 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -7.003 6.011 9.478 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -9.291 5.643 10.378 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.946 10.406 8.227 1.00 0.00 N ATOM 2018 CA LYS B 157 -7.198 9.513 7.087 1.00 0.00 C ATOM 2019 C LYS B 157 -7.014 10.208 5.735 1.00 0.00 C ATOM 2020 O LYS B 157 -6.481 9.605 4.809 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.584 8.836 7.208 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.850 9.689 6.964 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.157 10.788 7.990 1.00 0.00 C ATOM 2024 CE LYS B 157 -10.411 10.212 9.387 1.00 0.00 C ATOM 2025 NZ LYS B 157 -11.861 10.145 9.702 1.00 0.00 N1+ ATOM 0 H LYS B 157 -7.804 10.787 8.627 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.440 8.730 7.124 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.607 8.002 6.507 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -8.659 8.412 8.209 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -9.760 10.156 5.983 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -10.708 9.018 6.920 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -9.323 11.488 8.032 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -11.031 11.353 7.666 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -9.979 9.214 9.452 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -9.906 10.828 10.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -11.991 9.750 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -12.269 11.101 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -12.339 9.537 9.007 1.00 0.00 H new ATOM 2039 N ASP B 158 -7.418 11.472 5.632 1.00 0.00 N ATOM 2040 CA ASP B 158 -7.399 12.252 4.386 1.00 0.00 C ATOM 2041 C ASP B 158 -5.971 12.613 3.949 1.00 0.00 C ATOM 2042 O ASP B 158 -5.624 12.438 2.783 1.00 0.00 O ATOM 2043 CB ASP B 158 -8.245 13.525 4.540 1.00 0.00 C ATOM 2044 CG ASP B 158 -9.741 13.273 4.773 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -10.299 12.282 4.247 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -10.381 14.099 5.469 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.777 11.999 6.428 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.829 11.625 3.605 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.854 14.107 5.374 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -8.128 14.134 3.644 1.00 0.00 H new ATOM 2051 N ASP B 159 -5.124 13.061 4.883 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.713 13.384 4.627 1.00 0.00 C ATOM 2053 C ASP B 159 -2.922 12.139 4.174 1.00 0.00 C ATOM 2054 O ASP B 159 -2.216 12.160 3.160 1.00 0.00 O ATOM 2055 CB ASP B 159 -3.123 13.992 5.908 1.00 0.00 C ATOM 2056 CG ASP B 159 -1.651 14.439 5.775 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -1.228 14.854 4.670 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -0.923 14.415 6.797 1.00 0.00 O1- ATOM 0 H ASP B 159 -5.402 13.212 5.853 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.641 14.104 3.812 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -3.727 14.851 6.201 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -3.198 13.260 6.712 1.00 0.00 H new ATOM 2063 N TYR B 160 -3.102 11.023 4.893 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.456 9.736 4.605 1.00 0.00 C ATOM 2065 C TYR B 160 -2.887 9.164 3.250 1.00 0.00 C ATOM 2066 O TYR B 160 -2.040 8.836 2.421 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.769 8.781 5.762 1.00 0.00 C ATOM 2068 CG TYR B 160 -2.049 7.448 5.722 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.645 7.400 5.873 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.782 6.251 5.602 1.00 0.00 C ATOM 2071 CE1 TYR B 160 0.020 6.160 5.904 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -2.117 5.012 5.645 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.715 4.960 5.792 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.078 3.760 5.838 1.00 0.00 O ATOM 0 H TYR B 160 -3.714 10.989 5.708 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.378 9.876 4.527 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.521 9.280 6.699 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.843 8.594 5.775 1.00 0.00 H new ATOM 0 HD1 TYR B 160 -0.081 8.317 5.965 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.854 6.284 5.477 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.094 6.126 6.014 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.683 4.096 5.565 1.00 0.00 H new ATOM 0 HH TYR B 160 -0.678 3.086 6.220 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.195 9.116 2.968 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.725 8.628 1.691 1.00 0.00 C ATOM 2086 C LEU B 161 -4.320 9.526 0.507 1.00 0.00 C ATOM 2087 O LEU B 161 -3.983 9.009 -0.556 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.254 8.477 1.804 1.00 0.00 C ATOM 2089 CG LEU B 161 -6.944 7.968 0.525 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.449 6.583 0.095 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.448 7.864 0.747 1.00 0.00 C ATOM 0 H LEU B 161 -4.917 9.416 3.623 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.286 7.653 1.482 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.479 7.790 2.620 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.682 9.443 2.073 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.702 8.688 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -6.970 6.276 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.377 6.624 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.647 5.863 0.889 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -8.926 7.503 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.648 7.169 1.562 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.847 8.846 1.002 1.00 0.00 H new ATOM 2103 N SER B 162 -4.281 10.852 0.688 1.00 0.00 N ATOM 2104 CA SER B 162 -3.793 11.790 -0.326 1.00 0.00 C ATOM 2105 C SER B 162 -2.316 11.541 -0.665 1.00 0.00 C ATOM 2106 O SER B 162 -1.959 11.431 -1.846 1.00 0.00 O ATOM 2107 CB SER B 162 -4.005 13.233 0.170 1.00 0.00 C ATOM 2108 OG SER B 162 -3.559 14.180 -0.789 1.00 0.00 O ATOM 0 H SER B 162 -4.589 11.305 1.548 1.00 0.00 H new ATOM 0 HA SER B 162 -4.361 11.635 -1.243 1.00 0.00 H new ATOM 0 HB2 SER B 162 -5.062 13.396 0.380 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.467 13.380 1.107 1.00 0.00 H new ATOM 0 HG SER B 162 -3.708 15.086 -0.447 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.463 11.360 0.351 1.00 0.00 N ATOM 2115 CA ARG B 163 -0.031 11.064 0.191 1.00 0.00 C ATOM 2116 C ARG B 163 0.195 9.723 -0.505 1.00 0.00 C ATOM 2117 O ARG B 163 0.899 9.668 -1.512 1.00 0.00 O ATOM 2118 CB ARG B 163 0.649 11.164 1.569 1.00 0.00 C ATOM 2119 CG ARG B 163 2.163 11.398 1.481 1.00 0.00 C ATOM 2120 CD ARG B 163 2.709 11.794 2.859 1.00 0.00 C ATOM 2121 NE ARG B 163 4.109 12.244 2.785 1.00 0.00 N ATOM 2122 CZ ARG B 163 4.787 12.903 3.708 1.00 0.00 C ATOM 2123 NH1 ARG B 163 6.010 13.276 3.480 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 4.272 13.197 4.872 1.00 0.00 N ATOM 0 H ARG B 163 -1.753 11.416 1.327 1.00 0.00 H new ATOM 0 HA ARG B 163 0.431 11.799 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.194 11.978 2.133 1.00 0.00 H new ATOM 0 HB3 ARG B 163 0.462 10.246 2.127 1.00 0.00 H new ATOM 0 HG2 ARG B 163 2.660 10.494 1.129 1.00 0.00 H new ATOM 0 HG3 ARG B 163 2.377 12.183 0.756 1.00 0.00 H new ATOM 0 HD2 ARG B 163 2.093 12.590 3.279 1.00 0.00 H new ATOM 0 HD3 ARG B 163 2.636 10.943 3.537 1.00 0.00 H new ATOM 0 HE ARG B 163 4.611 12.022 1.925 1.00 0.00 H new ATOM 0 HH11 ARG B 163 6.451 13.060 2.586 1.00 0.00 H new ATOM 0 HH12 ARG B 163 6.530 13.785 4.195 1.00 0.00 H new ATOM 0 HH21 ARG B 163 3.316 12.916 5.092 1.00 0.00 H new ATOM 0 HH22 ARG B 163 4.825 13.707 5.560 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.458 8.651 -0.047 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.377 7.317 -0.666 1.00 0.00 C ATOM 2140 C LEU B 164 -0.949 7.291 -2.102 1.00 0.00 C ATOM 2141 O LEU B 164 -0.426 6.576 -2.955 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.080 6.286 0.240 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.157 5.608 1.273 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.428 6.550 2.324 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -0.919 4.496 1.994 1.00 0.00 C ATOM 0 H LEU B 164 -1.065 8.681 0.772 1.00 0.00 H new ATOM 0 HA LEU B 164 0.676 7.054 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -1.894 6.781 0.769 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -1.529 5.516 -0.388 1.00 0.00 H new ATOM 0 HG LEU B 164 0.683 5.221 0.697 1.00 0.00 H new ATOM 0 HD11 LEU B 164 1.063 5.985 3.006 1.00 0.00 H new ATOM 0 HD12 LEU B 164 1.020 7.321 1.832 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.382 7.017 2.885 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.264 4.019 2.723 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -1.783 4.920 2.505 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.254 3.755 1.268 1.00 0.00 H new ATOM 2157 N SER B 165 -1.957 8.111 -2.416 1.00 0.00 N ATOM 2158 CA SER B 165 -2.482 8.269 -3.785 1.00 0.00 C ATOM 2159 C SER B 165 -1.422 8.803 -4.756 1.00 0.00 C ATOM 2160 O SER B 165 -1.303 8.293 -5.875 1.00 0.00 O ATOM 2161 CB SER B 165 -3.742 9.143 -3.743 1.00 0.00 C ATOM 2162 OG SER B 165 -4.207 9.499 -5.027 1.00 0.00 O ATOM 0 H SER B 165 -2.438 8.689 -1.727 1.00 0.00 H new ATOM 0 HA SER B 165 -2.755 7.288 -4.175 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.530 8.610 -3.212 1.00 0.00 H new ATOM 0 HB3 SER B 165 -3.531 10.049 -3.175 1.00 0.00 H new ATOM 0 HG SER B 165 -4.789 10.284 -4.958 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.575 9.735 -4.308 1.00 0.00 N ATOM 2169 CA ARG B 166 0.524 10.335 -5.097 1.00 0.00 C ATOM 2170 C ARG B 166 1.791 9.472 -5.188 1.00 0.00 C ATOM 2171 O ARG B 166 2.528 9.577 -6.171 1.00 0.00 O ATOM 2172 CB ARG B 166 0.824 11.737 -4.534 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.297 12.719 -4.923 1.00 0.00 C ATOM 2174 CD ARG B 166 -0.560 13.784 -3.840 1.00 0.00 C ATOM 2175 NE ARG B 166 -1.778 14.573 -4.124 1.00 0.00 N ATOM 2176 CZ ARG B 166 -3.027 14.135 -4.148 1.00 0.00 C ATOM 2177 NH1 ARG B 166 -3.341 12.923 -3.800 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -4.011 14.896 -4.524 1.00 0.00 N ATOM 0 H ARG B 166 -0.630 10.109 -3.360 1.00 0.00 H new ATOM 0 HA ARG B 166 0.183 10.405 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG B 166 0.915 11.689 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.779 12.094 -4.918 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.032 13.215 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.215 12.161 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG B 166 -0.661 13.297 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.298 14.453 -3.773 1.00 0.00 H new ATOM 0 HE ARG B 166 -1.641 15.564 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG B 166 -2.614 12.275 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG B 166 -4.314 12.620 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -3.831 15.858 -4.811 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -4.963 14.531 -4.532 1.00 0.00 H new ATOM 2192 N LEU B 167 2.053 8.616 -4.201 1.00 0.00 N ATOM 2193 CA LEU B 167 3.179 7.665 -4.190 1.00 0.00 C ATOM 2194 C LEU B 167 2.976 6.478 -5.152 1.00 0.00 C ATOM 2195 O LEU B 167 1.851 6.093 -5.484 1.00 0.00 O ATOM 2196 CB LEU B 167 3.435 7.187 -2.748 1.00 0.00 C ATOM 2197 CG LEU B 167 4.537 7.963 -2.000 1.00 0.00 C ATOM 2198 CD1 LEU B 167 4.267 9.462 -1.872 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.693 7.393 -0.590 1.00 0.00 C ATOM 0 H LEU B 167 1.476 8.558 -3.362 1.00 0.00 H new ATOM 0 HA LEU B 167 4.060 8.191 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.506 7.266 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.705 6.131 -2.772 1.00 0.00 H new ATOM 0 HG LEU B 167 5.441 7.843 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU B 167 5.088 9.935 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU B 167 4.183 9.903 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.337 9.619 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.472 7.941 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.750 7.491 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.968 6.340 -0.652 1.00 0.00 H new ATOM 2211 N SER B 168 4.081 5.868 -5.590 1.00 0.00 N ATOM 2212 CA SER B 168 4.104 4.668 -6.447 1.00 0.00 C ATOM 2213 C SER B 168 3.672 3.392 -5.707 1.00 0.00 C ATOM 2214 O SER B 168 3.808 3.287 -4.484 1.00 0.00 O ATOM 2215 CB SER B 168 5.521 4.503 -7.025 1.00 0.00 C ATOM 2216 OG SER B 168 5.605 3.367 -7.871 1.00 0.00 O ATOM 0 H SER B 168 5.015 6.202 -5.354 1.00 0.00 H new ATOM 0 HA SER B 168 3.378 4.812 -7.247 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.794 5.397 -7.586 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.239 4.406 -6.211 1.00 0.00 H new ATOM 0 HG SER B 168 6.516 3.289 -8.224 1.00 0.00 H new ATOM 2222 N LYS B 169 3.215 2.371 -6.450 1.00 0.00 N ATOM 2223 CA LYS B 169 2.915 1.022 -5.922 1.00 0.00 C ATOM 2224 C LYS B 169 4.113 0.419 -5.174 1.00 0.00 C ATOM 2225 O LYS B 169 3.956 -0.097 -4.066 1.00 0.00 O ATOM 2226 CB LYS B 169 2.415 0.147 -7.097 1.00 0.00 C ATOM 2227 CG LYS B 169 2.369 -1.357 -6.781 1.00 0.00 C ATOM 2228 CD LYS B 169 1.345 -2.110 -7.640 1.00 0.00 C ATOM 2229 CE LYS B 169 1.409 -3.608 -7.313 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.360 -4.388 -8.013 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.039 2.457 -7.451 1.00 0.00 H new ATOM 0 HA LYS B 169 2.127 1.077 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.417 0.478 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.064 0.307 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS B 169 3.358 -1.788 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS B 169 2.126 -1.496 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.342 -1.727 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.552 -1.948 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.390 -3.995 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.303 -3.746 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.618 -5.395 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.549 -4.264 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.275 -4.053 -8.994 1.00 0.00 H new ATOM 2244 N ASN B 170 5.326 0.557 -5.719 1.00 0.00 N ATOM 2245 CA ASN B 170 6.573 0.165 -5.047 1.00 0.00 C ATOM 2246 C ASN B 170 6.816 0.906 -3.717 1.00 0.00 C ATOM 2247 O ASN B 170 7.221 0.291 -2.733 1.00 0.00 O ATOM 2248 CB ASN B 170 7.741 0.412 -6.016 1.00 0.00 C ATOM 2249 CG ASN B 170 7.599 -0.347 -7.314 1.00 0.00 C ATOM 2250 OD1 ASN B 170 7.929 -1.612 -7.324 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 7.161 0.180 -8.323 1.00 0.00 N flip ATOM 0 H ASN B 170 5.473 0.948 -6.649 1.00 0.00 H new ATOM 0 HA ASN B 170 6.493 -0.890 -4.786 1.00 0.00 H new ATOM 0 HB2 ASN B 170 7.809 1.479 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.674 0.124 -5.533 1.00 0.00 H new ATOM 0 HD21 ASN B 170 6.904 1.167 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN B 170 7.051 -0.366 -9.177 1.00 0.00 H new ATOM 2258 N GLN B 171 6.543 2.213 -3.674 1.00 0.00 N ATOM 2259 CA GLN B 171 6.663 3.022 -2.454 1.00 0.00 C ATOM 2260 C GLN B 171 5.636 2.615 -1.385 1.00 0.00 C ATOM 2261 O GLN B 171 5.990 2.512 -0.211 1.00 0.00 O ATOM 2262 CB GLN B 171 6.545 4.516 -2.800 1.00 0.00 C ATOM 2263 CG GLN B 171 7.770 5.045 -3.556 1.00 0.00 C ATOM 2264 CD GLN B 171 7.602 6.509 -3.951 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.711 6.868 -4.711 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.438 7.408 -3.474 1.00 0.00 N ATOM 0 H GLN B 171 6.231 2.744 -4.487 1.00 0.00 H new ATOM 0 HA GLN B 171 7.648 2.836 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.652 4.676 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.414 5.089 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.657 4.936 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN B 171 7.933 4.443 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN B 171 9.185 7.124 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.338 8.388 -3.738 1.00 0.00 H new ATOM 2275 N LEU B 172 4.391 2.320 -1.775 1.00 0.00 N ATOM 2276 CA LEU B 172 3.355 1.803 -0.870 1.00 0.00 C ATOM 2277 C LEU B 172 3.751 0.452 -0.265 1.00 0.00 C ATOM 2278 O LEU B 172 3.602 0.265 0.945 1.00 0.00 O ATOM 2279 CB LEU B 172 1.993 1.709 -1.593 1.00 0.00 C ATOM 2280 CG LEU B 172 1.126 2.960 -1.377 1.00 0.00 C ATOM 2281 CD1 LEU B 172 1.769 4.228 -1.936 1.00 0.00 C ATOM 2282 CD2 LEU B 172 -0.238 2.784 -2.036 1.00 0.00 C ATOM 0 H LEU B 172 4.070 2.434 -2.736 1.00 0.00 H new ATOM 0 HA LEU B 172 3.257 2.510 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.161 1.567 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.455 0.831 -1.235 1.00 0.00 H new ATOM 0 HG LEU B 172 1.022 3.074 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU B 172 1.112 5.079 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU B 172 2.727 4.397 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU B 172 1.927 4.113 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -0.839 3.679 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -0.107 2.624 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -0.744 1.923 -1.600 1.00 0.00 H new ATOM 2294 N MET B 173 4.311 -0.466 -1.060 1.00 0.00 N ATOM 2295 CA MET B 173 4.853 -1.719 -0.531 1.00 0.00 C ATOM 2296 C MET B 173 6.009 -1.480 0.455 1.00 0.00 C ATOM 2297 O MET B 173 6.037 -2.096 1.523 1.00 0.00 O ATOM 2298 CB MET B 173 5.284 -2.650 -1.673 1.00 0.00 C ATOM 2299 CG MET B 173 4.075 -3.199 -2.441 1.00 0.00 C ATOM 2300 SD MET B 173 4.426 -4.534 -3.618 1.00 0.00 S ATOM 2301 CE MET B 173 5.159 -3.594 -4.983 1.00 0.00 C ATOM 0 H MET B 173 4.400 -0.364 -2.071 1.00 0.00 H new ATOM 0 HA MET B 173 4.055 -2.207 0.028 1.00 0.00 H new ATOM 0 HB2 MET B 173 5.936 -2.108 -2.358 1.00 0.00 H new ATOM 0 HB3 MET B 173 5.865 -3.478 -1.268 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.343 -3.560 -1.718 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.609 -2.376 -2.983 1.00 0.00 H new ATOM 0 HE1 MET B 173 5.381 -4.268 -5.811 1.00 0.00 H new ATOM 0 HE2 MET B 173 4.458 -2.829 -5.316 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.080 -3.119 -4.645 1.00 0.00 H new ATOM 2311 N ALA B 174 6.927 -0.556 0.157 1.00 0.00 N ATOM 2312 CA ALA B 174 8.057 -0.232 1.025 1.00 0.00 C ATOM 2313 C ALA B 174 7.639 0.419 2.366 1.00 0.00 C ATOM 2314 O ALA B 174 8.075 -0.041 3.425 1.00 0.00 O ATOM 2315 CB ALA B 174 9.032 0.636 0.227 1.00 0.00 C ATOM 0 H ALA B 174 6.904 -0.008 -0.703 1.00 0.00 H new ATOM 0 HA ALA B 174 8.548 -1.158 1.326 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.887 0.893 0.853 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.376 0.086 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.529 1.549 -0.092 1.00 0.00 H new ATOM 2321 N LEU B 175 6.777 1.446 2.350 1.00 0.00 N ATOM 2322 CA LEU B 175 6.334 2.141 3.568 1.00 0.00 C ATOM 2323 C LEU B 175 5.484 1.230 4.471 1.00 0.00 C ATOM 2324 O LEU B 175 5.666 1.229 5.688 1.00 0.00 O ATOM 2325 CB LEU B 175 5.660 3.492 3.219 1.00 0.00 C ATOM 2326 CG LEU B 175 4.212 3.459 2.682 1.00 0.00 C ATOM 2327 CD1 LEU B 175 3.168 3.631 3.789 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.984 4.599 1.684 1.00 0.00 C ATOM 0 H LEU B 175 6.367 1.818 1.493 1.00 0.00 H new ATOM 0 HA LEU B 175 7.212 2.388 4.165 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.670 4.112 4.115 1.00 0.00 H new ATOM 0 HB3 LEU B 175 6.281 3.994 2.477 1.00 0.00 H new ATOM 0 HG LEU B 175 4.093 2.481 2.215 1.00 0.00 H new ATOM 0 HD11 LEU B 175 2.169 3.600 3.355 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.273 2.826 4.516 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.318 4.590 4.285 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.959 4.561 1.316 1.00 0.00 H new ATOM 0 HD22 LEU B 175 4.157 5.555 2.178 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.674 4.493 0.847 1.00 0.00 H new ATOM 2340 N ALA B 176 4.624 0.393 3.879 1.00 0.00 N ATOM 2341 CA ALA B 176 3.808 -0.581 4.597 1.00 0.00 C ATOM 2342 C ALA B 176 4.659 -1.680 5.267 1.00 0.00 C ATOM 2343 O ALA B 176 4.417 -2.028 6.425 1.00 0.00 O ATOM 2344 CB ALA B 176 2.786 -1.182 3.626 1.00 0.00 C ATOM 0 H ALA B 176 4.476 0.377 2.870 1.00 0.00 H new ATOM 0 HA ALA B 176 3.288 -0.069 5.407 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.170 -1.912 4.152 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.151 -0.390 3.230 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.309 -1.673 2.805 1.00 0.00 H new ATOM 2350 N LEU B 177 5.688 -2.197 4.578 1.00 0.00 N ATOM 2351 CA LEU B 177 6.632 -3.175 5.134 1.00 0.00 C ATOM 2352 C LEU B 177 7.380 -2.581 6.343 1.00 0.00 C ATOM 2353 O LEU B 177 7.369 -3.174 7.422 1.00 0.00 O ATOM 2354 CB LEU B 177 7.569 -3.644 3.998 1.00 0.00 C ATOM 2355 CG LEU B 177 8.471 -4.866 4.236 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.569 -4.654 5.281 1.00 0.00 C ATOM 2357 CD2 LEU B 177 7.659 -6.110 4.596 1.00 0.00 C ATOM 0 H LEU B 177 5.889 -1.945 3.610 1.00 0.00 H new ATOM 0 HA LEU B 177 6.107 -4.049 5.519 1.00 0.00 H new ATOM 0 HB2 LEU B 177 6.950 -3.856 3.126 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.213 -2.805 3.735 1.00 0.00 H new ATOM 0 HG LEU B 177 8.973 -5.016 3.280 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.155 -5.567 5.383 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.219 -3.838 4.965 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.115 -4.405 6.240 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.334 -6.951 4.756 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.090 -5.922 5.507 1.00 0.00 H new ATOM 0 HD23 LEU B 177 6.973 -6.345 3.782 1.00 0.00 H new ATOM 2369 N LYS B 178 7.958 -1.376 6.203 1.00 0.00 N ATOM 2370 CA LYS B 178 8.711 -0.702 7.280 1.00 0.00 C ATOM 2371 C LYS B 178 7.854 -0.429 8.521 1.00 0.00 C ATOM 2372 O LYS B 178 8.253 -0.821 9.623 1.00 0.00 O ATOM 2373 CB LYS B 178 9.324 0.608 6.767 1.00 0.00 C ATOM 2374 CG LYS B 178 10.582 0.397 5.916 1.00 0.00 C ATOM 2375 CD LYS B 178 11.168 1.763 5.526 1.00 0.00 C ATOM 2376 CE LYS B 178 12.486 1.644 4.753 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.588 1.152 5.616 1.00 0.00 N1+ ATOM 0 H LYS B 178 7.917 -0.838 5.337 1.00 0.00 H new ATOM 0 HA LYS B 178 9.505 -1.385 7.581 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.580 1.142 6.176 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.572 1.243 7.618 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.319 -0.182 6.473 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.338 -0.175 5.021 1.00 0.00 H new ATOM 0 HD2 LYS B 178 10.443 2.304 4.918 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.333 2.354 6.427 1.00 0.00 H new ATOM 0 HE2 LYS B 178 12.353 0.965 3.911 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.754 2.616 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 14.480 1.165 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.676 1.766 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.382 0.179 5.921 1.00 0.00 H new ATOM 2391 N LEU B 179 6.666 0.179 8.372 1.00 0.00 N ATOM 2392 CA LEU B 179 5.811 0.514 9.524 1.00 0.00 C ATOM 2393 C LEU B 179 5.239 -0.732 10.233 1.00 0.00 C ATOM 2394 O LEU B 179 4.969 -0.668 11.433 1.00 0.00 O ATOM 2395 CB LEU B 179 4.737 1.546 9.133 1.00 0.00 C ATOM 2396 CG LEU B 179 3.564 1.046 8.270 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.422 0.441 9.084 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.959 2.210 7.482 1.00 0.00 C ATOM 0 H LEU B 179 6.276 0.448 7.469 1.00 0.00 H new ATOM 0 HA LEU B 179 6.445 0.988 10.273 1.00 0.00 H new ATOM 0 HB2 LEU B 179 4.326 1.970 10.049 1.00 0.00 H new ATOM 0 HB3 LEU B 179 5.228 2.359 8.598 1.00 0.00 H new ATOM 0 HG LEU B 179 3.989 0.277 7.625 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.631 0.110 8.411 1.00 0.00 H new ATOM 0 HD12 LEU B 179 2.793 -0.411 9.654 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.026 1.191 9.769 1.00 0.00 H new ATOM 0 HD21 LEU B 179 2.130 1.846 6.875 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.595 2.969 8.175 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.720 2.645 6.834 1.00 0.00 H new ATOM 2410 N LYS B 180 5.086 -1.858 9.527 1.00 0.00 N ATOM 2411 CA LYS B 180 4.672 -3.149 10.105 1.00 0.00 C ATOM 2412 C LYS B 180 5.825 -3.889 10.799 1.00 0.00 C ATOM 2413 O LYS B 180 5.602 -4.540 11.819 1.00 0.00 O ATOM 2414 CB LYS B 180 4.020 -4.001 9.004 1.00 0.00 C ATOM 2415 CG LYS B 180 3.195 -5.169 9.573 1.00 0.00 C ATOM 2416 CD LYS B 180 2.372 -5.833 8.459 1.00 0.00 C ATOM 2417 CE LYS B 180 1.402 -6.864 9.036 1.00 0.00 C ATOM 2418 NZ LYS B 180 0.505 -7.387 7.978 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.248 -1.902 8.521 1.00 0.00 H new ATOM 0 HA LYS B 180 3.943 -2.957 10.892 1.00 0.00 H new ATOM 0 HB2 LYS B 180 3.375 -3.369 8.394 1.00 0.00 H new ATOM 0 HB3 LYS B 180 4.795 -4.394 8.347 1.00 0.00 H new ATOM 0 HG2 LYS B 180 3.858 -5.903 10.031 1.00 0.00 H new ATOM 0 HG3 LYS B 180 2.531 -4.806 10.358 1.00 0.00 H new ATOM 0 HD2 LYS B 180 1.816 -5.073 7.910 1.00 0.00 H new ATOM 0 HD3 LYS B 180 3.041 -6.316 7.746 1.00 0.00 H new ATOM 0 HE2 LYS B 180 1.961 -7.685 9.485 1.00 0.00 H new ATOM 0 HE3 LYS B 180 0.810 -6.409 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 -0.461 -7.036 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 0.841 -7.066 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 0.504 -8.427 8.006 1.00 0.00 H new ATOM 2432 N GLN B 181 7.052 -3.745 10.294 1.00 0.00 N ATOM 2433 CA GLN B 181 8.257 -4.362 10.860 1.00 0.00 C ATOM 2434 C GLN B 181 8.649 -3.756 12.220 1.00 0.00 C ATOM 2435 O GLN B 181 9.060 -4.481 13.131 1.00 0.00 O ATOM 2436 CB GLN B 181 9.393 -4.231 9.833 1.00 0.00 C ATOM 2437 CG GLN B 181 10.721 -4.842 10.307 1.00 0.00 C ATOM 2438 CD GLN B 181 11.698 -5.100 9.154 1.00 0.00 C ATOM 2439 OE1 GLN B 181 12.237 -6.191 8.992 1.00 0.00 O ATOM 2440 NE2 GLN B 181 11.960 -4.135 8.298 1.00 0.00 N ATOM 0 H GLN B 181 7.241 -3.185 9.463 1.00 0.00 H new ATOM 0 HA GLN B 181 8.055 -5.414 11.060 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.090 -4.715 8.904 1.00 0.00 H new ATOM 0 HB3 GLN B 181 9.548 -3.176 9.607 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.187 -4.172 11.030 1.00 0.00 H new ATOM 0 HG3 GLN B 181 10.520 -5.780 10.825 1.00 0.00 H new ATOM 0 HE21 GLN B 181 11.524 -3.220 8.412 1.00 0.00 H new ATOM 0 HE22 GLN B 181 12.599 -4.302 7.521 1.00 0.00 H new ATOM 2449 N GLN B 182 8.501 -2.435 12.382 1.00 0.00 N ATOM 2450 CA GLN B 182 8.824 -1.741 13.635 1.00 0.00 C ATOM 2451 C GLN B 182 7.741 -1.886 14.718 1.00 0.00 C ATOM 2452 O GLN B 182 8.079 -1.950 15.902 1.00 0.00 O ATOM 2453 CB GLN B 182 9.159 -0.268 13.321 1.00 0.00 C ATOM 2454 CG GLN B 182 7.991 0.590 12.798 1.00 0.00 C ATOM 2455 CD GLN B 182 7.058 1.129 13.883 1.00 0.00 C ATOM 2456 OE1 GLN B 182 7.405 1.296 15.045 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.821 1.419 13.552 1.00 0.00 N ATOM 0 H GLN B 182 8.154 -1.817 11.648 1.00 0.00 H new ATOM 0 HA GLN B 182 9.699 -2.221 14.072 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.549 0.197 14.226 1.00 0.00 H new ATOM 0 HB3 GLN B 182 9.960 -0.247 12.582 1.00 0.00 H new ATOM 0 HG2 GLN B 182 8.399 1.431 12.238 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.406 -0.006 12.098 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.507 1.289 12.590 1.00 0.00 H new ATOM 0 HE22 GLN B 182 5.175 1.774 14.256 1.00 0.00 H new