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= 0.0512 USER MOD Set 1.2: B 170 ASN : amide:sc= -1.17 X(o=-1.1,f=-0.71) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.0051 X(o=0.0051,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0.972 (180deg=0.682) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.19) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -84:sc= 0.846 USER MOD Single : A 65 SER OG : rot 180:sc=-0.000434 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 1.72 (180deg=0.844) USER MOD Single : A 70 ASN : amide:sc= -1.47 X(o=-1.5,f=-0.98) USER MOD Single : A 71 GLN : amide:sc= 0.944 K(o=0.94,f=-4.1!) USER MOD Single : A 73 MET CE :methyl -119:sc= 0 (180deg=-0.435) USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.987) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.67) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 157 LYS NZ :NH3+ 170:sc= 1.05 (180deg=0.902) USER MOD Single : B 160 TYR OH : rot 150:sc= 0 USER MOD Single : B 162 SER OG : rot 130:sc= 0.794 USER MOD Single : B 165 SER OG : rot 180:sc= 0 USER MOD Single : B 169 LYS NZ :NH3+ 152:sc= 1.82 (180deg=0.96) USER MOD Single : B 171 GLN : amide:sc= 1.04 K(o=1,f=-4.7!) USER MOD Single : B 173 MET CE :methyl -113:sc= -0.387 (180deg=-0.469) USER MOD Single : B 178 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.12) USER MOD Single : B 180 LYS NZ :NH3+ -112:sc= 0.518 (180deg=0) USER MOD Single : B 181 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : B 182 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -6.978 -7.458 8.151 1.00 0.00 N ATOM 133 CA GLU A 11 -7.595 -6.638 7.089 1.00 0.00 C ATOM 134 C GLU A 11 -7.514 -7.296 5.701 1.00 0.00 C ATOM 135 O GLU A 11 -8.373 -7.061 4.849 1.00 0.00 O ATOM 136 CB GLU A 11 -6.892 -5.267 7.009 1.00 0.00 C ATOM 137 CG GLU A 11 -6.992 -4.379 8.264 1.00 0.00 C ATOM 138 CD GLU A 11 -6.117 -4.805 9.465 1.00 0.00 C ATOM 139 OE1 GLU A 11 -5.176 -5.624 9.309 1.00 0.00 O ATOM 140 OE2 GLU A 11 -6.375 -4.321 10.593 1.00 0.00 O1- ATOM 0 HA GLU A 11 -8.646 -6.531 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.837 -5.435 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.309 -4.717 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.723 -3.360 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.033 -4.357 8.587 1.00 0.00 H new ATOM 147 N LEU A 12 -6.481 -8.110 5.456 1.00 0.00 N ATOM 148 CA LEU A 12 -6.128 -8.629 4.130 1.00 0.00 C ATOM 149 C LEU A 12 -7.227 -9.521 3.525 1.00 0.00 C ATOM 150 O LEU A 12 -7.560 -9.373 2.348 1.00 0.00 O ATOM 151 CB LEU A 12 -4.791 -9.400 4.210 1.00 0.00 C ATOM 152 CG LEU A 12 -3.492 -8.584 4.396 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.280 -7.581 3.260 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.393 -7.823 5.718 1.00 0.00 C ATOM 0 H LEU A 12 -5.853 -8.434 6.191 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.022 -7.772 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.862 -10.107 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.689 -9.987 3.297 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.714 -9.347 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.356 -7.029 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.215 -8.114 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.118 -6.885 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.448 -7.281 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.220 -7.116 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.441 -8.528 6.548 1.00 0.00 H new ATOM 166 N SER A 13 -7.842 -10.402 4.325 1.00 0.00 N ATOM 167 CA SER A 13 -8.936 -11.284 3.877 1.00 0.00 C ATOM 168 C SER A 13 -10.226 -10.517 3.530 1.00 0.00 C ATOM 169 O SER A 13 -10.973 -10.937 2.647 1.00 0.00 O ATOM 170 CB SER A 13 -9.221 -12.353 4.937 1.00 0.00 C ATOM 171 OG SER A 13 -9.640 -11.762 6.160 1.00 0.00 O ATOM 0 H SER A 13 -7.596 -10.526 5.307 1.00 0.00 H new ATOM 0 HA SER A 13 -8.599 -11.760 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.993 -13.032 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.325 -12.950 5.106 1.00 0.00 H new ATOM 0 HG SER A 13 -9.817 -12.465 6.819 1.00 0.00 H new ATOM 177 N GLU A 14 -10.481 -9.364 4.163 1.00 0.00 N ATOM 178 CA GLU A 14 -11.584 -8.464 3.805 1.00 0.00 C ATOM 179 C GLU A 14 -11.297 -7.720 2.487 1.00 0.00 C ATOM 180 O GLU A 14 -12.136 -7.718 1.581 1.00 0.00 O ATOM 181 CB GLU A 14 -11.875 -7.495 4.968 1.00 0.00 C ATOM 182 CG GLU A 14 -13.038 -6.538 4.663 1.00 0.00 C ATOM 183 CD GLU A 14 -13.506 -5.819 5.940 1.00 0.00 C ATOM 184 OE1 GLU A 14 -14.377 -6.362 6.665 1.00 0.00 O ATOM 185 OE2 GLU A 14 -13.005 -4.706 6.235 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.921 -9.027 4.946 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.480 -9.060 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.108 -8.069 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.979 -6.914 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.725 -5.803 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.868 -7.095 4.229 1.00 0.00 H new ATOM 192 N ILE A 15 -10.100 -7.134 2.348 1.00 0.00 N ATOM 193 CA ILE A 15 -9.658 -6.381 1.157 1.00 0.00 C ATOM 194 C ILE A 15 -9.539 -7.258 -0.102 1.00 0.00 C ATOM 195 O ILE A 15 -9.821 -6.798 -1.211 1.00 0.00 O ATOM 196 CB ILE A 15 -8.334 -5.649 1.488 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.556 -4.516 2.510 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.627 -5.084 0.236 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.565 -3.434 2.109 1.00 0.00 C ATOM 0 H ILE A 15 -9.390 -7.169 3.079 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.425 -5.646 0.912 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.682 -6.406 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.885 -4.961 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.597 -4.036 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.706 -4.583 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.392 -5.899 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.284 -4.371 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.638 -2.692 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.234 -2.950 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.542 -3.890 1.947 1.00 0.00 H new ATOM 211 N GLU A 16 -9.165 -8.529 0.051 1.00 0.00 N ATOM 212 CA GLU A 16 -9.173 -9.523 -1.033 1.00 0.00 C ATOM 213 C GLU A 16 -10.588 -10.045 -1.370 1.00 0.00 C ATOM 214 O GLU A 16 -10.809 -10.525 -2.487 1.00 0.00 O ATOM 215 CB GLU A 16 -8.251 -10.695 -0.651 1.00 0.00 C ATOM 216 CG GLU A 16 -6.761 -10.318 -0.700 1.00 0.00 C ATOM 217 CD GLU A 16 -5.853 -11.405 -0.091 1.00 0.00 C ATOM 218 OE1 GLU A 16 -4.734 -11.087 0.383 1.00 0.00 O ATOM 219 OE2 GLU A 16 -6.208 -12.608 -0.100 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.843 -8.906 0.942 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.808 -9.027 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.502 -11.037 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.433 -11.530 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.468 -10.144 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.609 -9.381 -0.164 1.00 0.00 H new ATOM 226 N GLY A 17 -11.544 -9.966 -0.432 1.00 0.00 N ATOM 227 CA GLY A 17 -12.912 -10.484 -0.580 1.00 0.00 C ATOM 228 C GLY A 17 -13.914 -9.503 -1.209 1.00 0.00 C ATOM 229 O GLY A 17 -14.835 -9.925 -1.921 1.00 0.00 O ATOM 0 H GLY A 17 -11.382 -9.528 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.878 -11.387 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.282 -10.777 0.403 1.00 0.00 H new ATOM 233 N LEU A 18 -13.745 -8.200 -0.962 1.00 0.00 N ATOM 234 CA LEU A 18 -14.562 -7.110 -1.512 1.00 0.00 C ATOM 235 C LEU A 18 -14.325 -6.856 -3.023 1.00 0.00 C ATOM 236 O LEU A 18 -13.481 -7.501 -3.651 1.00 0.00 O ATOM 237 CB LEU A 18 -14.367 -5.864 -0.621 1.00 0.00 C ATOM 238 CG LEU A 18 -12.958 -5.245 -0.528 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.453 -4.651 -1.837 1.00 0.00 C ATOM 240 CD2 LEU A 18 -12.980 -4.122 0.511 1.00 0.00 C ATOM 0 H LEU A 18 -13.005 -7.860 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.613 -7.398 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.047 -5.090 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.683 -6.125 0.389 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.286 -6.059 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.456 -4.236 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.412 -5.430 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.130 -3.861 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.988 -3.676 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.698 -3.360 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.269 -4.529 1.480 1.00 0.00 H new ATOM 252 N GLN A 19 -15.059 -5.898 -3.602 1.00 0.00 N ATOM 253 CA GLN A 19 -14.911 -5.451 -4.997 1.00 0.00 C ATOM 254 C GLN A 19 -14.682 -3.929 -5.116 1.00 0.00 C ATOM 255 O GLN A 19 -14.781 -3.185 -4.140 1.00 0.00 O ATOM 256 CB GLN A 19 -16.092 -5.952 -5.844 1.00 0.00 C ATOM 257 CG GLN A 19 -17.419 -5.211 -5.581 1.00 0.00 C ATOM 258 CD GLN A 19 -18.567 -6.180 -5.313 1.00 0.00 C ATOM 259 OE1 GLN A 19 -19.393 -6.483 -6.170 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.641 -6.709 -4.115 1.00 0.00 N ATOM 0 H GLN A 19 -15.793 -5.397 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.003 -5.900 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.836 -5.852 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.238 -7.015 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.300 -4.544 -4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.663 -4.587 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.955 -6.457 -3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.384 -7.372 -3.895 1.00 0.00 H new ATOM 269 N ASP A 20 -14.391 -3.444 -6.326 1.00 0.00 N ATOM 270 CA ASP A 20 -14.034 -2.037 -6.595 1.00 0.00 C ATOM 271 C ASP A 20 -15.119 -1.017 -6.194 1.00 0.00 C ATOM 272 O ASP A 20 -14.795 0.120 -5.851 1.00 0.00 O ATOM 273 CB ASP A 20 -13.690 -1.854 -8.081 1.00 0.00 C ATOM 274 CG ASP A 20 -12.715 -2.906 -8.642 1.00 0.00 C ATOM 275 OD1 ASP A 20 -13.115 -4.090 -8.801 1.00 0.00 O ATOM 276 OD2 ASP A 20 -11.549 -2.549 -8.949 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.395 -4.024 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.169 -1.830 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.612 -1.885 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.257 -0.864 -8.222 1.00 0.00 H new ATOM 281 N ASP A 21 -16.397 -1.416 -6.187 1.00 0.00 N ATOM 282 CA ASP A 21 -17.510 -0.592 -5.689 1.00 0.00 C ATOM 283 C ASP A 21 -17.391 -0.293 -4.173 1.00 0.00 C ATOM 284 O ASP A 21 -17.732 0.794 -3.701 1.00 0.00 O ATOM 285 CB ASP A 21 -18.823 -1.343 -5.984 1.00 0.00 C ATOM 286 CG ASP A 21 -20.088 -0.518 -5.685 1.00 0.00 C ATOM 287 OD1 ASP A 21 -21.104 -1.117 -5.250 1.00 0.00 O ATOM 288 OD2 ASP A 21 -20.104 0.711 -5.937 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.693 -2.330 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.489 0.373 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.833 -1.641 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.849 -2.258 -5.393 1.00 0.00 H new ATOM 293 N ASP A 22 -16.850 -1.246 -3.406 1.00 0.00 N ATOM 294 CA ASP A 22 -16.561 -1.105 -1.972 1.00 0.00 C ATOM 295 C ASP A 22 -15.316 -0.240 -1.717 1.00 0.00 C ATOM 296 O ASP A 22 -15.288 0.543 -0.767 1.00 0.00 O ATOM 297 CB ASP A 22 -16.382 -2.500 -1.339 1.00 0.00 C ATOM 298 CG ASP A 22 -17.520 -3.477 -1.662 1.00 0.00 C ATOM 299 OD1 ASP A 22 -18.707 -3.134 -1.422 1.00 0.00 O ATOM 300 OD2 ASP A 22 -17.239 -4.605 -2.130 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.594 -2.162 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.407 -0.597 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.440 -2.927 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.305 -2.391 -0.257 1.00 0.00 H new ATOM 305 N LEU A 23 -14.301 -0.330 -2.586 1.00 0.00 N ATOM 306 CA LEU A 23 -13.110 0.535 -2.562 1.00 0.00 C ATOM 307 C LEU A 23 -13.468 1.991 -2.892 1.00 0.00 C ATOM 308 O LEU A 23 -13.062 2.902 -2.170 1.00 0.00 O ATOM 309 CB LEU A 23 -12.038 -0.007 -3.529 1.00 0.00 C ATOM 310 CG LEU A 23 -11.506 -1.401 -3.144 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.621 -1.999 -4.231 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.677 -1.346 -1.858 1.00 0.00 C ATOM 0 H LEU A 23 -14.282 -1.017 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.701 0.524 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.457 -0.053 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.204 0.694 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.389 -2.024 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.270 -2.981 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.194 -2.098 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.765 -1.346 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.317 -2.345 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.827 -0.679 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.296 -0.974 -1.042 1.00 0.00 H new ATOM 324 N ALA A 24 -14.288 2.227 -3.919 1.00 0.00 N ATOM 325 CA ALA A 24 -14.772 3.560 -4.278 1.00 0.00 C ATOM 326 C ALA A 24 -15.589 4.231 -3.150 1.00 0.00 C ATOM 327 O ALA A 24 -15.553 5.456 -2.999 1.00 0.00 O ATOM 328 CB ALA A 24 -15.589 3.445 -5.571 1.00 0.00 C ATOM 0 H ALA A 24 -14.638 1.489 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.911 4.211 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.959 4.430 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.957 3.051 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.432 2.773 -5.410 1.00 0.00 H new ATOM 334 N ALA A 25 -16.275 3.434 -2.323 1.00 0.00 N ATOM 335 CA ALA A 25 -17.034 3.920 -1.170 1.00 0.00 C ATOM 336 C ALA A 25 -16.170 4.388 0.027 1.00 0.00 C ATOM 337 O ALA A 25 -16.686 5.114 0.886 1.00 0.00 O ATOM 338 CB ALA A 25 -18.011 2.812 -0.754 1.00 0.00 C ATOM 0 H ALA A 25 -16.318 2.422 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.562 4.823 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.593 3.144 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.683 2.589 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.452 1.915 -0.489 1.00 0.00 H new ATOM 344 N LEU A 26 -14.882 4.013 0.097 1.00 0.00 N ATOM 345 CA LEU A 26 -13.966 4.392 1.193 1.00 0.00 C ATOM 346 C LEU A 26 -12.758 5.237 0.749 1.00 0.00 C ATOM 347 O LEU A 26 -12.287 6.066 1.532 1.00 0.00 O ATOM 348 CB LEU A 26 -13.613 3.147 2.047 1.00 0.00 C ATOM 349 CG LEU A 26 -12.433 2.284 1.549 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.139 2.627 2.298 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.703 0.797 1.792 1.00 0.00 C ATOM 0 H LEU A 26 -14.439 3.431 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.499 5.085 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.389 3.480 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.498 2.513 2.109 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.327 2.492 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.327 2.003 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.893 3.677 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.276 2.445 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.858 0.210 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.839 0.622 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.605 0.499 1.257 1.00 0.00 H new ATOM 363 N LEU A 27 -12.281 5.095 -0.494 1.00 0.00 N ATOM 364 CA LEU A 27 -11.276 5.985 -1.098 1.00 0.00 C ATOM 365 C LEU A 27 -11.897 7.308 -1.581 1.00 0.00 C ATOM 366 O LEU A 27 -11.285 8.366 -1.426 1.00 0.00 O ATOM 367 CB LEU A 27 -10.582 5.274 -2.277 1.00 0.00 C ATOM 368 CG LEU A 27 -9.382 4.394 -1.903 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.701 3.248 -0.946 1.00 0.00 C ATOM 370 CD2 LEU A 27 -8.795 3.783 -3.170 1.00 0.00 C ATOM 0 H LEU A 27 -12.585 4.349 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.543 6.223 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.318 4.655 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.249 6.029 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.687 5.057 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.792 2.682 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.096 3.652 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.442 2.591 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.942 3.157 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.553 3.177 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.470 4.578 -3.841 1.00 0.00 H new ATOM 382 N GLY A 28 -13.104 7.255 -2.161 1.00 0.00 N ATOM 383 CA GLY A 28 -13.887 8.422 -2.595 1.00 0.00 C ATOM 384 C GLY A 28 -13.111 9.370 -3.514 1.00 0.00 C ATOM 385 O GLY A 28 -12.713 9.006 -4.622 1.00 0.00 O ATOM 0 H GLY A 28 -13.578 6.371 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.782 8.077 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.221 8.973 -1.716 1.00 0.00 H new ATOM 389 N LYS A 29 -12.889 10.599 -3.030 1.00 0.00 N ATOM 390 CA LYS A 29 -12.129 11.678 -3.693 1.00 0.00 C ATOM 391 C LYS A 29 -10.700 11.269 -4.117 1.00 0.00 C ATOM 392 O LYS A 29 -10.175 11.807 -5.090 1.00 0.00 O ATOM 393 CB LYS A 29 -12.145 12.877 -2.719 1.00 0.00 C ATOM 394 CG LYS A 29 -11.176 14.032 -3.021 1.00 0.00 C ATOM 395 CD LYS A 29 -11.405 14.718 -4.379 1.00 0.00 C ATOM 396 CE LYS A 29 -10.205 15.589 -4.770 1.00 0.00 C ATOM 397 NZ LYS A 29 -8.999 14.772 -5.060 1.00 0.00 N1+ ATOM 0 H LYS A 29 -13.251 10.887 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.600 11.936 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.157 13.281 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.927 12.504 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.263 14.779 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.155 13.651 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.575 13.963 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.304 15.333 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.459 16.185 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.985 16.287 -3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.303 15.350 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.582 14.439 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.266 13.954 -5.644 1.00 0.00 H new ATOM 411 N GLU A 30 -10.084 10.306 -3.431 1.00 0.00 N ATOM 412 CA GLU A 30 -8.723 9.813 -3.708 1.00 0.00 C ATOM 413 C GLU A 30 -8.687 8.440 -4.420 1.00 0.00 C ATOM 414 O GLU A 30 -7.641 7.790 -4.464 1.00 0.00 O ATOM 415 CB GLU A 30 -7.875 9.856 -2.423 1.00 0.00 C ATOM 416 CG GLU A 30 -7.668 11.271 -1.856 1.00 0.00 C ATOM 417 CD GLU A 30 -7.057 12.246 -2.879 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.039 11.905 -3.526 1.00 0.00 O ATOM 419 OE2 GLU A 30 -7.594 13.363 -3.059 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.525 9.830 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.272 10.490 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.354 9.238 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.901 9.412 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.626 11.664 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.018 11.215 -0.983 1.00 0.00 H new ATOM 426 N PHE A 31 -9.800 7.982 -5.013 1.00 0.00 N ATOM 427 CA PHE A 31 -9.832 6.783 -5.860 1.00 0.00 C ATOM 428 C PHE A 31 -9.025 6.997 -7.162 1.00 0.00 C ATOM 429 O PHE A 31 -9.169 8.023 -7.835 1.00 0.00 O ATOM 430 CB PHE A 31 -11.290 6.391 -6.141 1.00 0.00 C ATOM 431 CG PHE A 31 -11.461 5.044 -6.819 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.421 4.952 -8.222 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.652 3.879 -6.054 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.552 3.705 -8.856 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.821 2.638 -6.691 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.757 2.546 -8.090 1.00 0.00 C ATOM 0 H PHE A 31 -10.708 8.437 -4.917 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.354 5.958 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.838 6.381 -5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.745 7.159 -6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.289 5.845 -8.815 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.669 3.939 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.495 3.638 -9.932 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.001 1.751 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.865 1.587 -8.576 1.00 0.00 H new ATOM 446 N ILE A 32 -8.177 6.022 -7.514 1.00 0.00 N ATOM 447 CA ILE A 32 -7.238 6.085 -8.649 1.00 0.00 C ATOM 448 C ILE A 32 -7.952 6.088 -10.026 1.00 0.00 C ATOM 449 O ILE A 32 -9.026 5.502 -10.182 1.00 0.00 O ATOM 450 CB ILE A 32 -6.195 4.943 -8.510 1.00 0.00 C ATOM 451 CG1 ILE A 32 -4.802 5.336 -9.036 1.00 0.00 C ATOM 452 CG2 ILE A 32 -6.647 3.642 -9.197 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.054 6.273 -8.078 1.00 0.00 C ATOM 0 H ILE A 32 -8.121 5.140 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.714 7.040 -8.614 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.121 4.765 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.209 4.435 -9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.907 5.822 -10.006 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.881 2.878 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.580 3.299 -8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.801 3.827 -10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.078 6.519 -8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.630 7.188 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.921 5.779 -7.115 1.00 0.00 H new ATOM 722 N TRP A 56 7.559 -13.792 7.707 1.00 0.00 N ATOM 723 CA TRP A 56 6.656 -12.637 7.864 1.00 0.00 C ATOM 724 C TRP A 56 6.754 -11.625 6.705 1.00 0.00 C ATOM 725 O TRP A 56 5.728 -11.161 6.202 1.00 0.00 O ATOM 726 CB TRP A 56 6.946 -11.959 9.218 1.00 0.00 C ATOM 727 CG TRP A 56 8.289 -11.313 9.367 1.00 0.00 C ATOM 728 CD1 TRP A 56 9.399 -11.911 9.861 1.00 0.00 C ATOM 729 CD2 TRP A 56 8.707 -9.964 8.979 1.00 0.00 C ATOM 730 NE1 TRP A 56 10.473 -11.052 9.765 1.00 0.00 N ATOM 731 CE2 TRP A 56 10.110 -9.841 9.213 1.00 0.00 C ATOM 732 CE3 TRP A 56 8.045 -8.837 8.444 1.00 0.00 C ATOM 733 CZ2 TRP A 56 10.825 -8.679 8.890 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.751 -7.653 8.132 1.00 0.00 C ATOM 735 CH2 TRP A 56 10.141 -7.578 8.349 1.00 0.00 C ATOM 0 HA TRP A 56 5.631 -13.008 7.840 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.182 -11.201 9.391 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.838 -12.706 10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.437 -12.910 10.269 1.00 0.00 H new ATOM 0 HE1 TRP A 56 11.420 -11.283 10.065 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.980 -8.881 8.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 11.891 -8.631 9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.223 -6.803 7.726 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.680 -6.676 8.100 1.00 0.00 H new ATOM 746 N LYS A 57 7.979 -11.316 6.253 1.00 0.00 N ATOM 747 CA LYS A 57 8.234 -10.353 5.167 1.00 0.00 C ATOM 748 C LYS A 57 7.885 -10.891 3.779 1.00 0.00 C ATOM 749 O LYS A 57 7.524 -10.114 2.899 1.00 0.00 O ATOM 750 CB LYS A 57 9.681 -9.823 5.243 1.00 0.00 C ATOM 751 CG LYS A 57 10.826 -10.701 4.726 1.00 0.00 C ATOM 752 CD LYS A 57 11.008 -12.045 5.441 1.00 0.00 C ATOM 753 CE LYS A 57 12.299 -12.705 4.939 1.00 0.00 C ATOM 754 NZ LYS A 57 12.310 -14.170 5.178 1.00 0.00 N1+ ATOM 0 H LYS A 57 8.830 -11.731 6.634 1.00 0.00 H new ATOM 0 HA LYS A 57 7.554 -9.515 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.715 -8.882 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.891 -9.591 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.661 -10.894 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.756 -10.138 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.056 -11.895 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.153 -12.693 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.413 -12.512 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.155 -12.251 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.239 -14.557 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.126 -14.359 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.572 -14.621 4.601 1.00 0.00 H new ATOM 768 N ASP A 58 7.954 -12.210 3.603 1.00 0.00 N ATOM 769 CA ASP A 58 7.611 -12.899 2.353 1.00 0.00 C ATOM 770 C ASP A 58 6.090 -13.007 2.188 1.00 0.00 C ATOM 771 O ASP A 58 5.545 -12.590 1.164 1.00 0.00 O ATOM 772 CB ASP A 58 8.270 -14.293 2.328 1.00 0.00 C ATOM 773 CG ASP A 58 9.786 -14.256 2.567 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.504 -13.488 1.880 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.268 -15.002 3.451 1.00 0.00 O1- ATOM 0 H ASP A 58 8.256 -12.846 4.340 1.00 0.00 H new ATOM 0 HA ASP A 58 7.992 -12.317 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.805 -14.920 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.073 -14.762 1.364 1.00 0.00 H new ATOM 780 N ASP A 59 5.392 -13.525 3.201 1.00 0.00 N ATOM 781 CA ASP A 59 3.944 -13.764 3.183 1.00 0.00 C ATOM 782 C ASP A 59 3.106 -12.468 3.111 1.00 0.00 C ATOM 783 O ASP A 59 1.972 -12.478 2.627 1.00 0.00 O ATOM 784 CB ASP A 59 3.576 -14.579 4.437 1.00 0.00 C ATOM 785 CG ASP A 59 2.103 -15.025 4.465 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.451 -14.898 5.535 1.00 0.00 O ATOM 787 OD2 ASP A 59 1.595 -15.547 3.446 1.00 0.00 O1- ATOM 0 H ASP A 59 5.829 -13.798 4.081 1.00 0.00 H new ATOM 0 HA ASP A 59 3.705 -14.315 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.216 -15.460 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.784 -13.981 5.324 1.00 0.00 H new ATOM 792 N TYR A 60 3.657 -11.336 3.568 1.00 0.00 N ATOM 793 CA TYR A 60 3.049 -10.011 3.402 1.00 0.00 C ATOM 794 C TYR A 60 3.329 -9.421 2.012 1.00 0.00 C ATOM 795 O TYR A 60 2.397 -9.193 1.236 1.00 0.00 O ATOM 796 CB TYR A 60 3.524 -9.113 4.553 1.00 0.00 C ATOM 797 CG TYR A 60 2.818 -7.777 4.696 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.584 -6.600 4.828 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.412 -7.717 4.797 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.940 -5.372 5.069 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.773 -6.480 5.012 1.00 0.00 C ATOM 802 CZ TYR A 60 1.532 -5.303 5.154 1.00 0.00 C ATOM 803 OH TYR A 60 0.912 -4.128 5.433 1.00 0.00 O ATOM 0 H TYR A 60 4.546 -11.315 4.068 1.00 0.00 H new ATOM 0 HA TYR A 60 1.963 -10.090 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.408 -9.663 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.590 -8.925 4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.660 -6.641 4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.825 -8.620 4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.528 -4.474 5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.305 -6.434 5.068 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.058 -4.266 5.451 1.00 0.00 H new ATOM 813 N LEU A 61 4.603 -9.237 1.648 1.00 0.00 N ATOM 814 CA LEU A 61 4.990 -8.584 0.390 1.00 0.00 C ATOM 815 C LEU A 61 4.500 -9.335 -0.864 1.00 0.00 C ATOM 816 O LEU A 61 4.087 -8.694 -1.833 1.00 0.00 O ATOM 817 CB LEU A 61 6.521 -8.399 0.383 1.00 0.00 C ATOM 818 CG LEU A 61 7.080 -7.676 -0.856 1.00 0.00 C ATOM 819 CD1 LEU A 61 6.568 -6.243 -0.981 1.00 0.00 C ATOM 820 CD2 LEU A 61 8.602 -7.620 -0.777 1.00 0.00 C ATOM 0 H LEU A 61 5.395 -9.536 2.216 1.00 0.00 H new ATOM 0 HA LEU A 61 4.498 -7.613 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.809 -7.840 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.991 -9.380 0.457 1.00 0.00 H new ATOM 0 HG LEU A 61 6.744 -8.243 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.994 -5.781 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.481 -6.251 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.863 -5.673 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.993 -7.108 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.900 -7.079 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.002 -8.633 -0.740 1.00 0.00 H new ATOM 832 N SER A 62 4.492 -10.675 -0.839 1.00 0.00 N ATOM 833 CA SER A 62 4.054 -11.499 -1.976 1.00 0.00 C ATOM 834 C SER A 62 2.560 -11.371 -2.303 1.00 0.00 C ATOM 835 O SER A 62 2.164 -11.651 -3.438 1.00 0.00 O ATOM 836 CB SER A 62 4.402 -12.977 -1.759 1.00 0.00 C ATOM 837 OG SER A 62 3.673 -13.539 -0.682 1.00 0.00 O ATOM 0 H SER A 62 4.789 -11.219 -0.029 1.00 0.00 H new ATOM 0 HA SER A 62 4.602 -11.108 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.192 -13.537 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.470 -13.074 -1.564 1.00 0.00 H new ATOM 0 HG SER A 62 4.135 -13.348 0.161 1.00 0.00 H new ATOM 843 N ARG A 63 1.729 -10.921 -1.350 1.00 0.00 N ATOM 844 CA ARG A 63 0.319 -10.559 -1.599 1.00 0.00 C ATOM 845 C ARG A 63 0.216 -9.125 -2.101 1.00 0.00 C ATOM 846 O ARG A 63 -0.370 -8.888 -3.157 1.00 0.00 O ATOM 847 CB ARG A 63 -0.527 -10.778 -0.330 1.00 0.00 C ATOM 848 CG ARG A 63 -0.442 -12.225 0.175 1.00 0.00 C ATOM 849 CD ARG A 63 -1.354 -12.464 1.390 1.00 0.00 C ATOM 850 NE ARG A 63 -2.689 -12.951 0.983 1.00 0.00 N ATOM 851 CZ ARG A 63 -3.048 -14.214 0.822 1.00 0.00 C ATOM 852 NH1 ARG A 63 -4.258 -14.515 0.467 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -2.223 -15.206 1.014 1.00 0.00 N ATOM 0 H ARG A 63 2.015 -10.796 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.078 -11.210 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.188 -10.100 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.567 -10.528 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.722 -12.907 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.589 -12.455 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.889 -13.190 2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.461 -11.537 1.953 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.403 -12.244 0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.942 -13.775 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.526 -15.492 0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.261 -15.022 1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.540 -16.166 0.879 1.00 0.00 H new ATOM 867 N LEU A 64 0.837 -8.181 -1.386 1.00 0.00 N ATOM 868 CA LEU A 64 0.781 -6.741 -1.670 1.00 0.00 C ATOM 869 C LEU A 64 1.259 -6.379 -3.092 1.00 0.00 C ATOM 870 O LEU A 64 0.719 -5.448 -3.696 1.00 0.00 O ATOM 871 CB LEU A 64 1.600 -5.986 -0.602 1.00 0.00 C ATOM 872 CG LEU A 64 0.776 -5.518 0.617 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.149 -6.638 1.444 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.645 -4.673 1.549 1.00 0.00 C ATOM 0 H LEU A 64 1.409 -8.403 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.264 -6.436 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.406 -6.633 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.066 -5.117 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.045 -4.943 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.408 -6.208 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.527 -7.219 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.934 -7.288 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.053 -4.349 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.490 -5.267 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.013 -3.799 1.011 1.00 0.00 H new ATOM 886 N SER A 65 2.212 -7.120 -3.663 1.00 0.00 N ATOM 887 CA SER A 65 2.663 -6.925 -5.052 1.00 0.00 C ATOM 888 C SER A 65 1.610 -7.290 -6.114 1.00 0.00 C ATOM 889 O SER A 65 1.567 -6.632 -7.161 1.00 0.00 O ATOM 890 CB SER A 65 3.971 -7.684 -5.292 1.00 0.00 C ATOM 891 OG SER A 65 3.788 -9.076 -5.113 1.00 0.00 O ATOM 0 H SER A 65 2.697 -7.875 -3.178 1.00 0.00 H new ATOM 0 HA SER A 65 2.831 -5.855 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.330 -7.487 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.737 -7.323 -4.606 1.00 0.00 H new ATOM 0 HG SER A 65 4.636 -9.541 -5.273 1.00 0.00 H new ATOM 897 N ARG A 66 0.709 -8.247 -5.846 1.00 0.00 N ATOM 898 CA ARG A 66 -0.401 -8.624 -6.746 1.00 0.00 C ATOM 899 C ARG A 66 -1.716 -7.873 -6.479 1.00 0.00 C ATOM 900 O ARG A 66 -2.572 -7.836 -7.361 1.00 0.00 O ATOM 901 CB ARG A 66 -0.631 -10.151 -6.736 1.00 0.00 C ATOM 902 CG ARG A 66 0.477 -10.927 -7.475 1.00 0.00 C ATOM 903 CD ARG A 66 1.601 -11.391 -6.541 1.00 0.00 C ATOM 904 NE ARG A 66 2.819 -11.787 -7.279 1.00 0.00 N ATOM 905 CZ ARG A 66 3.992 -12.052 -6.726 1.00 0.00 C ATOM 906 NH1 ARG A 66 4.137 -12.167 -5.442 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 5.065 -12.194 -7.447 1.00 0.00 N ATOM 0 H ARG A 66 0.728 -8.792 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.082 -8.315 -7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.686 -10.499 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.593 -10.372 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.039 -11.795 -7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.898 -10.294 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.846 -10.589 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.250 -12.234 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 66 2.750 -11.862 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.332 -12.053 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.056 -12.372 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.014 -12.101 -8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.958 -12.398 -6.998 1.00 0.00 H new ATOM 921 N LEU A 67 -1.875 -7.235 -5.312 1.00 0.00 N ATOM 922 CA LEU A 67 -3.026 -6.367 -5.005 1.00 0.00 C ATOM 923 C LEU A 67 -3.049 -5.110 -5.898 1.00 0.00 C ATOM 924 O LEU A 67 -2.008 -4.600 -6.324 1.00 0.00 O ATOM 925 CB LEU A 67 -3.038 -5.999 -3.506 1.00 0.00 C ATOM 926 CG LEU A 67 -3.996 -6.871 -2.669 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.605 -8.347 -2.608 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.044 -6.354 -1.231 1.00 0.00 C ATOM 0 H LEU A 67 -1.205 -7.305 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.936 -6.925 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.028 -6.096 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.324 -4.953 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.962 -6.800 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.329 -8.890 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.592 -8.762 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.614 -8.443 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.722 -6.973 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.046 -6.396 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.399 -5.323 -1.227 1.00 0.00 H new ATOM 940 N SER A 68 -4.257 -4.608 -6.166 1.00 0.00 N ATOM 941 CA SER A 68 -4.513 -3.356 -6.894 1.00 0.00 C ATOM 942 C SER A 68 -4.027 -2.140 -6.096 1.00 0.00 C ATOM 943 O SER A 68 -4.047 -2.172 -4.866 1.00 0.00 O ATOM 944 CB SER A 68 -6.021 -3.237 -7.151 1.00 0.00 C ATOM 945 OG SER A 68 -6.346 -1.996 -7.756 1.00 0.00 O ATOM 0 H SER A 68 -5.115 -5.076 -5.874 1.00 0.00 H new ATOM 0 HA SER A 68 -3.966 -3.377 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.348 -4.054 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.561 -3.337 -6.210 1.00 0.00 H new ATOM 0 HG SER A 68 -7.313 -1.950 -7.909 1.00 0.00 H new ATOM 951 N LYS A 69 -3.677 -1.031 -6.762 1.00 0.00 N ATOM 952 CA LYS A 69 -3.389 0.266 -6.115 1.00 0.00 C ATOM 953 C LYS A 69 -4.540 0.716 -5.198 1.00 0.00 C ATOM 954 O LYS A 69 -4.283 1.251 -4.125 1.00 0.00 O ATOM 955 CB LYS A 69 -3.069 1.295 -7.228 1.00 0.00 C ATOM 956 CG LYS A 69 -2.824 2.746 -6.780 1.00 0.00 C ATOM 957 CD LYS A 69 -1.702 2.924 -5.741 1.00 0.00 C ATOM 958 CE LYS A 69 -1.579 4.399 -5.324 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.789 5.221 -6.282 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.584 -1.004 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.525 0.173 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.185 0.951 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.895 1.294 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.585 3.346 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.750 3.144 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.909 2.309 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.756 2.578 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.577 4.826 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.113 4.453 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.147 6.198 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.212 5.218 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.880 4.823 -7.238 1.00 0.00 H new ATOM 973 N ASN A 70 -5.796 0.433 -5.558 1.00 0.00 N ATOM 974 CA ASN A 70 -6.965 0.717 -4.714 1.00 0.00 C ATOM 975 C ASN A 70 -6.988 -0.139 -3.427 1.00 0.00 C ATOM 976 O ASN A 70 -7.138 0.393 -2.324 1.00 0.00 O ATOM 977 CB ASN A 70 -8.248 0.505 -5.541 1.00 0.00 C ATOM 978 CG ASN A 70 -8.366 1.416 -6.747 1.00 0.00 C ATOM 979 OD1 ASN A 70 -8.261 0.998 -7.891 1.00 0.00 O ATOM 980 ND2 ASN A 70 -8.602 2.689 -6.534 1.00 0.00 N ATOM 0 H ASN A 70 -6.033 -0.003 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.904 1.755 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.283 -0.531 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.113 0.660 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.698 3.329 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.690 3.039 -5.580 1.00 0.00 H new ATOM 987 N GLN A 71 -6.793 -1.458 -3.556 1.00 0.00 N ATOM 988 CA GLN A 71 -6.717 -2.402 -2.427 1.00 0.00 C ATOM 989 C GLN A 71 -5.529 -2.109 -1.497 1.00 0.00 C ATOM 990 O GLN A 71 -5.660 -2.143 -0.276 1.00 0.00 O ATOM 991 CB GLN A 71 -6.578 -3.832 -2.961 1.00 0.00 C ATOM 992 CG GLN A 71 -7.844 -4.374 -3.633 1.00 0.00 C ATOM 993 CD GLN A 71 -7.605 -5.768 -4.213 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.768 -5.964 -5.088 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.312 -6.776 -3.753 1.00 0.00 N ATOM 0 H GLN A 71 -6.681 -1.910 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.635 -2.287 -1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.757 -3.863 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.306 -4.491 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.656 -4.413 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.157 -3.695 -4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.010 -6.620 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.163 -7.715 -4.124 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.375 -1.798 -2.080 1.00 0.00 N ATOM 1005 CA LEU A 72 -3.117 -1.513 -1.393 1.00 0.00 C ATOM 1006 C LEU A 72 -3.195 -0.236 -0.538 1.00 0.00 C ATOM 1007 O LEU A 72 -2.646 -0.197 0.565 1.00 0.00 O ATOM 1008 CB LEU A 72 -2.032 -1.431 -2.483 1.00 0.00 C ATOM 1009 CG LEU A 72 -0.585 -1.376 -1.980 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.212 -2.642 -1.219 1.00 0.00 C ATOM 1011 CD2 LEU A 72 0.322 -1.269 -3.203 1.00 0.00 C ATOM 0 H LEU A 72 -4.286 -1.735 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.880 -2.302 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.136 -2.295 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.220 -0.546 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.473 -0.525 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.820 -2.570 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.872 -2.758 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.317 -3.506 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.363 -1.228 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.174 -2.139 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.078 -0.364 -3.759 1.00 0.00 H new ATOM 1023 N MET A 73 -3.942 0.776 -0.997 1.00 0.00 N ATOM 1024 CA MET A 73 -4.324 1.929 -0.181 1.00 0.00 C ATOM 1025 C MET A 73 -5.366 1.579 0.892 1.00 0.00 C ATOM 1026 O MET A 73 -5.246 2.038 2.023 1.00 0.00 O ATOM 1027 CB MET A 73 -4.838 3.076 -1.069 1.00 0.00 C ATOM 1028 CG MET A 73 -3.706 3.691 -1.895 1.00 0.00 C ATOM 1029 SD MET A 73 -4.106 5.287 -2.666 1.00 0.00 S ATOM 1030 CE MET A 73 -5.278 4.762 -3.939 1.00 0.00 C ATOM 0 H MET A 73 -4.299 0.815 -1.952 1.00 0.00 H new ATOM 0 HA MET A 73 -3.424 2.253 0.342 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.615 2.702 -1.735 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.295 3.845 -0.446 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.836 3.822 -1.252 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.422 2.987 -2.677 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.886 5.019 -4.923 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.424 3.684 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.232 5.266 -3.785 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.363 0.746 0.584 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.429 0.386 1.521 1.00 0.00 C ATOM 1042 C ALA A 74 -6.948 -0.439 2.735 1.00 0.00 C ATOM 1043 O ALA A 74 -7.328 -0.119 3.864 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.544 -0.318 0.748 1.00 0.00 C ATOM 0 H ALA A 74 -6.454 0.300 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.810 1.307 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.345 -0.592 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.935 0.352 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.148 -1.217 0.275 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.073 -1.443 2.553 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.496 -2.202 3.679 1.00 0.00 C ATOM 1052 C LEU A 75 -4.623 -1.316 4.582 1.00 0.00 C ATOM 1053 O LEU A 75 -4.700 -1.414 5.807 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.760 -3.468 3.170 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.376 -3.257 2.512 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.219 -3.526 3.477 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.207 -4.213 1.334 1.00 0.00 C ATOM 0 H LEU A 75 -5.749 -1.749 1.636 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.314 -2.546 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.635 -4.149 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.406 -3.969 2.448 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.345 -2.214 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.271 -3.363 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.291 -2.850 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.269 -4.557 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.230 -4.058 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.283 -5.242 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.987 -4.023 0.597 1.00 0.00 H new ATOM 1069 N ALA A 76 -3.854 -0.403 3.979 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.004 0.558 4.668 1.00 0.00 C ATOM 1071 C ALA A 76 -3.823 1.599 5.461 1.00 0.00 C ATOM 1072 O ALA A 76 -3.483 1.920 6.601 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.093 1.206 3.620 1.00 0.00 C ATOM 0 H ALA A 76 -3.809 -0.315 2.964 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.399 0.049 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.441 1.933 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.486 0.438 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.702 1.708 2.869 1.00 0.00 H new ATOM 1079 N LEU A 77 -4.932 2.094 4.896 1.00 0.00 N ATOM 1080 CA LEU A 77 -5.867 2.999 5.571 1.00 0.00 C ATOM 1081 C LEU A 77 -6.550 2.308 6.763 1.00 0.00 C ATOM 1082 O LEU A 77 -6.542 2.843 7.873 1.00 0.00 O ATOM 1083 CB LEU A 77 -6.855 3.551 4.513 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.821 4.690 4.918 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.928 4.274 5.886 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -7.076 5.897 5.496 1.00 0.00 C ATOM 0 H LEU A 77 -5.208 1.872 3.940 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.338 3.845 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.268 3.902 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.459 2.716 4.158 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.304 4.966 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.555 5.136 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.536 3.493 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.483 3.896 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.793 6.672 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.521 5.591 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.383 6.288 4.751 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.069 1.080 6.576 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.717 0.289 7.638 1.00 0.00 C ATOM 1100 C LYS A 78 -6.779 0.015 8.819 1.00 0.00 C ATOM 1101 O LYS A 78 -7.157 0.294 9.961 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.260 -1.031 7.076 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.572 -0.844 6.295 1.00 0.00 C ATOM 1104 CD LYS A 78 -10.009 -2.184 5.681 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.301 -2.041 4.861 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.513 -2.020 5.722 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.050 0.605 5.674 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.547 0.887 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.512 -1.478 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.425 -1.730 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.350 -0.467 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.435 -0.101 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.214 -2.568 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.161 -2.915 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.258 -1.123 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.374 -2.867 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.246 -1.433 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.871 -2.989 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.271 -1.623 6.652 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.555 -0.477 8.583 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.622 -0.828 9.667 1.00 0.00 C ATOM 1122 C LEU A 79 -4.159 0.396 10.483 1.00 0.00 C ATOM 1123 O LEU A 79 -3.924 0.260 11.689 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.476 -1.723 9.147 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.385 -1.047 8.299 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.280 -0.389 9.136 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.695 -2.079 7.400 1.00 0.00 C ATOM 0 H LEU A 79 -5.185 -0.642 7.647 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.167 -1.432 10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.995 -2.189 10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.916 -2.525 8.554 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.903 -0.278 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.545 0.068 8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.716 0.377 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.793 -1.144 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.925 -1.587 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.238 -2.852 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.431 -2.533 6.736 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.080 1.586 9.868 1.00 0.00 N ATOM 1140 CA LYS A 80 -3.809 2.865 10.554 1.00 0.00 C ATOM 1141 C LYS A 80 -5.023 3.398 11.322 1.00 0.00 C ATOM 1142 O LYS A 80 -4.860 3.921 12.424 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.321 3.925 9.546 1.00 0.00 C ATOM 1144 CG LYS A 80 -1.910 3.692 8.974 1.00 0.00 C ATOM 1145 CD LYS A 80 -0.757 3.625 9.987 1.00 0.00 C ATOM 1146 CE LYS A 80 -0.670 4.869 10.880 1.00 0.00 C ATOM 1147 NZ LYS A 80 0.469 4.778 11.831 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.205 1.691 8.861 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.027 2.665 11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.028 3.967 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.341 4.900 10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.921 2.760 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.694 4.491 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.883 2.742 10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.184 3.503 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.556 5.757 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.601 4.985 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.499 5.635 12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.347 3.944 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.359 4.692 11.300 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.238 3.220 10.797 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.477 3.673 11.445 1.00 0.00 C ATOM 1163 C GLN A 81 -7.772 2.883 12.730 1.00 0.00 C ATOM 1164 O GLN A 81 -8.161 3.464 13.748 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.624 3.570 10.427 1.00 0.00 C ATOM 1166 CG GLN A 81 -9.981 4.011 11.010 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.135 4.075 9.995 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -12.241 4.487 10.321 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -10.965 3.690 8.749 1.00 0.00 N ATOM 0 H GLN A 81 -6.393 2.754 9.903 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.366 4.711 11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.389 4.186 9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.701 2.541 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.257 3.322 11.809 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.862 4.995 11.464 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.057 3.341 8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.741 3.740 8.089 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.558 1.563 12.709 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.823 0.682 13.854 1.00 0.00 C ATOM 1180 C GLN A 82 -6.717 0.699 14.932 1.00 0.00 C ATOM 1181 O GLN A 82 -6.994 0.323 16.072 1.00 0.00 O ATOM 1182 CB GLN A 82 -8.130 -0.733 13.339 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.922 -1.457 12.721 1.00 0.00 C ATOM 1184 CD GLN A 82 -6.034 -2.157 13.750 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -6.479 -2.905 14.611 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.737 -1.935 13.709 1.00 0.00 N ATOM 0 H GLN A 82 -7.194 1.072 11.893 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.697 1.071 14.377 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.515 -1.332 14.164 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.923 -0.672 12.593 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.280 -2.194 12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.322 -0.736 12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.348 -1.315 12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.121 -2.383 14.387 1.00 0.00 H new ATOM 1403 N GLU B 111 8.105 6.421 8.704 1.00 0.00 N ATOM 1404 CA GLU B 111 8.688 5.837 7.485 1.00 0.00 C ATOM 1405 C GLU B 111 8.323 6.578 6.183 1.00 0.00 C ATOM 1406 O GLU B 111 9.099 6.543 5.227 1.00 0.00 O ATOM 1407 CB GLU B 111 8.327 4.335 7.397 1.00 0.00 C ATOM 1408 CG GLU B 111 6.834 3.969 7.297 1.00 0.00 C ATOM 1409 CD GLU B 111 6.012 4.208 8.585 1.00 0.00 C ATOM 1410 OE1 GLU B 111 4.773 4.369 8.497 1.00 0.00 O ATOM 1411 OE2 GLU B 111 6.591 4.239 9.699 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.768 5.954 7.576 1.00 0.00 H new ATOM 0 HB2 GLU B 111 8.835 3.917 6.528 1.00 0.00 H new ATOM 0 HB3 GLU B 111 8.737 3.838 8.276 1.00 0.00 H new ATOM 0 HG2 GLU B 111 6.388 4.547 6.487 1.00 0.00 H new ATOM 0 HG3 GLU B 111 6.751 2.918 7.022 1.00 0.00 H new ATOM 1418 N LEU B 112 7.200 7.308 6.141 1.00 0.00 N ATOM 1419 CA LEU B 112 6.794 8.118 4.983 1.00 0.00 C ATOM 1420 C LEU B 112 7.864 9.147 4.578 1.00 0.00 C ATOM 1421 O LEU B 112 8.108 9.336 3.386 1.00 0.00 O ATOM 1422 CB LEU B 112 5.468 8.855 5.282 1.00 0.00 C ATOM 1423 CG LEU B 112 4.154 8.047 5.341 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.884 7.276 4.052 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.087 7.068 6.511 1.00 0.00 C ATOM 0 H LEU B 112 6.541 7.354 6.918 1.00 0.00 H new ATOM 0 HA LEU B 112 6.662 7.428 4.150 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.584 9.363 6.239 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.344 9.628 4.524 1.00 0.00 H new ATOM 0 HG LEU B 112 3.385 8.807 5.483 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.948 6.725 4.147 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.811 7.975 3.219 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.700 6.577 3.869 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.136 6.537 6.487 1.00 0.00 H new ATOM 0 HD22 LEU B 112 4.905 6.352 6.433 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.173 7.616 7.449 1.00 0.00 H new ATOM 1437 N SER B 113 8.555 9.756 5.546 1.00 0.00 N ATOM 1438 CA SER B 113 9.628 10.728 5.292 1.00 0.00 C ATOM 1439 C SER B 113 10.817 10.112 4.532 1.00 0.00 C ATOM 1440 O SER B 113 11.366 10.727 3.613 1.00 0.00 O ATOM 1441 CB SER B 113 10.105 11.310 6.627 1.00 0.00 C ATOM 1442 OG SER B 113 11.080 12.326 6.424 1.00 0.00 O ATOM 0 H SER B 113 8.385 9.588 6.538 1.00 0.00 H new ATOM 0 HA SER B 113 9.220 11.514 4.657 1.00 0.00 H new ATOM 0 HB2 SER B 113 9.255 11.721 7.172 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.526 10.516 7.244 1.00 0.00 H new ATOM 0 HG SER B 113 11.367 12.682 7.291 1.00 0.00 H new ATOM 1448 N GLU B 114 11.186 8.867 4.862 1.00 0.00 N ATOM 1449 CA GLU B 114 12.223 8.112 4.148 1.00 0.00 C ATOM 1450 C GLU B 114 11.754 7.658 2.753 1.00 0.00 C ATOM 1451 O GLU B 114 12.498 7.812 1.784 1.00 0.00 O ATOM 1452 CB GLU B 114 12.683 6.924 5.011 1.00 0.00 C ATOM 1453 CG GLU B 114 13.881 6.188 4.395 1.00 0.00 C ATOM 1454 CD GLU B 114 14.573 5.282 5.427 1.00 0.00 C ATOM 1455 OE1 GLU B 114 13.989 4.248 5.829 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.725 5.580 5.828 1.00 0.00 O1- ATOM 0 H GLU B 114 10.770 8.352 5.638 1.00 0.00 H new ATOM 0 HA GLU B 114 13.074 8.772 3.979 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.951 7.282 6.005 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.855 6.226 5.136 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.546 5.588 3.549 1.00 0.00 H new ATOM 0 HG3 GLU B 114 14.596 6.914 4.008 1.00 0.00 H new ATOM 1463 N ILE B 115 10.515 7.153 2.640 1.00 0.00 N ATOM 1464 CA ILE B 115 9.933 6.673 1.372 1.00 0.00 C ATOM 1465 C ILE B 115 9.711 7.814 0.356 1.00 0.00 C ATOM 1466 O ILE B 115 9.848 7.604 -0.850 1.00 0.00 O ATOM 1467 CB ILE B 115 8.655 5.852 1.654 1.00 0.00 C ATOM 1468 CG1 ILE B 115 8.960 4.568 2.467 1.00 0.00 C ATOM 1469 CG2 ILE B 115 7.920 5.463 0.357 1.00 0.00 C ATOM 1470 CD1 ILE B 115 9.969 3.600 1.846 1.00 0.00 C ATOM 0 H ILE B 115 9.881 7.065 3.434 1.00 0.00 H new ATOM 0 HA ILE B 115 10.652 6.008 0.893 1.00 0.00 H new ATOM 0 HB ILE B 115 8.009 6.501 2.245 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.329 4.864 3.449 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.024 4.032 2.626 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.028 4.887 0.603 1.00 0.00 H new ATOM 0 HG22 ILE B 115 7.632 6.365 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE B 115 8.579 4.861 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.101 2.741 2.504 1.00 0.00 H new ATOM 0 HD12 ILE B 115 9.600 3.262 0.877 1.00 0.00 H new ATOM 0 HD13 ILE B 115 10.925 4.106 1.714 1.00 0.00 H new ATOM 1482 N GLU B 116 9.422 9.035 0.814 1.00 0.00 N ATOM 1483 CA GLU B 116 9.398 10.248 -0.026 1.00 0.00 C ATOM 1484 C GLU B 116 10.804 10.712 -0.467 1.00 0.00 C ATOM 1485 O GLU B 116 10.962 11.258 -1.565 1.00 0.00 O ATOM 1486 CB GLU B 116 8.724 11.402 0.740 1.00 0.00 C ATOM 1487 CG GLU B 116 7.199 11.257 0.872 1.00 0.00 C ATOM 1488 CD GLU B 116 6.610 12.325 1.824 1.00 0.00 C ATOM 1489 OE1 GLU B 116 7.014 13.514 1.759 1.00 0.00 O ATOM 1490 OE2 GLU B 116 5.711 11.987 2.636 1.00 0.00 O1- ATOM 0 H GLU B 116 9.194 9.217 1.791 1.00 0.00 H new ATOM 0 HA GLU B 116 8.837 9.987 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.160 11.467 1.737 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.947 12.341 0.233 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.737 11.349 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.958 10.262 1.246 1.00 0.00 H new ATOM 1497 N GLY B 117 11.831 10.512 0.371 1.00 0.00 N ATOM 1498 CA GLY B 117 13.192 11.030 0.160 1.00 0.00 C ATOM 1499 C GLY B 117 14.120 10.146 -0.690 1.00 0.00 C ATOM 1500 O GLY B 117 15.052 10.654 -1.324 1.00 0.00 O ATOM 0 H GLY B 117 11.738 9.974 1.233 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.119 12.009 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY B 117 13.658 11.182 1.134 1.00 0.00 H new ATOM 1504 N LEU B 118 13.882 8.833 -0.716 1.00 0.00 N ATOM 1505 CA LEU B 118 14.668 7.837 -1.463 1.00 0.00 C ATOM 1506 C LEU B 118 14.431 7.871 -2.994 1.00 0.00 C ATOM 1507 O LEU B 118 13.623 8.659 -3.501 1.00 0.00 O ATOM 1508 CB LEU B 118 14.412 6.458 -0.817 1.00 0.00 C ATOM 1509 CG LEU B 118 12.983 5.876 -0.865 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.471 5.543 -2.261 1.00 0.00 C ATOM 1511 CD2 LEU B 118 12.963 4.578 -0.064 1.00 0.00 C ATOM 0 H LEU B 118 13.109 8.414 -0.199 1.00 0.00 H new ATOM 0 HA LEU B 118 15.728 8.079 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.079 5.740 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU B 118 14.709 6.522 0.230 1.00 0.00 H new ATOM 0 HG LEU B 118 12.335 6.654 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU B 118 11.460 5.141 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.461 6.447 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.125 4.803 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU B 118 11.960 4.152 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU B 118 13.668 3.870 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU B 118 13.247 4.783 0.968 1.00 0.00 H new ATOM 1523 N GLN B 119 15.119 6.992 -3.731 1.00 0.00 N ATOM 1524 CA GLN B 119 14.944 6.766 -5.179 1.00 0.00 C ATOM 1525 C GLN B 119 14.675 5.288 -5.513 1.00 0.00 C ATOM 1526 O GLN B 119 14.808 4.410 -4.662 1.00 0.00 O ATOM 1527 CB GLN B 119 16.131 7.368 -5.953 1.00 0.00 C ATOM 1528 CG GLN B 119 17.499 6.721 -5.676 1.00 0.00 C ATOM 1529 CD GLN B 119 18.441 7.691 -4.961 1.00 0.00 C ATOM 1530 OE1 GLN B 119 19.181 8.461 -5.561 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.425 7.702 -3.649 1.00 0.00 N ATOM 0 H GLN B 119 15.840 6.395 -3.326 1.00 0.00 H new ATOM 0 HA GLN B 119 14.046 7.289 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.922 7.292 -7.020 1.00 0.00 H new ATOM 0 HB3 GLN B 119 16.196 8.430 -5.715 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.364 5.827 -5.067 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.949 6.401 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.812 7.064 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN B 119 19.026 8.348 -3.137 1.00 0.00 H new ATOM 1540 N ASP B 120 14.283 4.988 -6.758 1.00 0.00 N ATOM 1541 CA ASP B 120 13.849 3.638 -7.159 1.00 0.00 C ATOM 1542 C ASP B 120 14.911 2.530 -6.989 1.00 0.00 C ATOM 1543 O ASP B 120 14.557 1.367 -6.785 1.00 0.00 O ATOM 1544 CB ASP B 120 13.280 3.652 -8.595 1.00 0.00 C ATOM 1545 CG ASP B 120 14.248 4.042 -9.736 1.00 0.00 C ATOM 1546 OD1 ASP B 120 13.859 3.882 -10.919 1.00 0.00 O ATOM 1547 OD2 ASP B 120 15.375 4.530 -9.482 1.00 0.00 O1- ATOM 0 H ASP B 120 14.257 5.670 -7.516 1.00 0.00 H new ATOM 0 HA ASP B 120 13.060 3.371 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP B 120 12.886 2.659 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.436 4.342 -8.617 1.00 0.00 H new ATOM 1552 N ASP B 121 16.202 2.871 -6.991 1.00 0.00 N ATOM 1553 CA ASP B 121 17.301 1.949 -6.664 1.00 0.00 C ATOM 1554 C ASP B 121 17.251 1.456 -5.199 1.00 0.00 C ATOM 1555 O ASP B 121 17.590 0.308 -4.906 1.00 0.00 O ATOM 1556 CB ASP B 121 18.629 2.678 -6.945 1.00 0.00 C ATOM 1557 CG ASP B 121 19.864 1.765 -6.856 1.00 0.00 C ATOM 1558 OD1 ASP B 121 20.929 2.235 -6.389 1.00 0.00 O ATOM 1559 OD2 ASP B 121 19.802 0.593 -7.297 1.00 0.00 O1- ATOM 0 H ASP B 121 16.522 3.811 -7.223 1.00 0.00 H new ATOM 0 HA ASP B 121 17.207 1.057 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.587 3.122 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP B 121 18.741 3.497 -6.235 1.00 0.00 H new ATOM 1564 N ASP B 122 16.775 2.297 -4.278 1.00 0.00 N ATOM 1565 CA ASP B 122 16.564 1.961 -2.865 1.00 0.00 C ATOM 1566 C ASP B 122 15.349 1.046 -2.667 1.00 0.00 C ATOM 1567 O ASP B 122 15.376 0.139 -1.830 1.00 0.00 O ATOM 1568 CB ASP B 122 16.384 3.250 -2.048 1.00 0.00 C ATOM 1569 CG ASP B 122 17.541 4.247 -2.208 1.00 0.00 C ATOM 1570 OD1 ASP B 122 18.720 3.838 -2.074 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.277 5.452 -2.441 1.00 0.00 O1- ATOM 0 H ASP B 122 16.518 3.259 -4.500 1.00 0.00 H new ATOM 0 HA ASP B 122 17.444 1.419 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.455 3.734 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.282 2.991 -0.994 1.00 0.00 H new ATOM 1576 N LEU B 123 14.287 1.247 -3.458 1.00 0.00 N ATOM 1577 CA LEU B 123 13.094 0.389 -3.460 1.00 0.00 C ATOM 1578 C LEU B 123 13.436 -1.009 -3.990 1.00 0.00 C ATOM 1579 O LEU B 123 13.121 -2.011 -3.343 1.00 0.00 O ATOM 1580 CB LEU B 123 11.974 1.041 -4.295 1.00 0.00 C ATOM 1581 CG LEU B 123 11.476 2.380 -3.728 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.512 3.075 -4.690 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.734 2.192 -2.407 1.00 0.00 C ATOM 0 H LEU B 123 14.231 2.019 -4.122 1.00 0.00 H new ATOM 0 HA LEU B 123 12.738 0.279 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.336 1.200 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.134 0.350 -4.361 1.00 0.00 H new ATOM 0 HG LEU B 123 12.368 2.988 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.181 4.018 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU B 123 11.018 3.269 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.648 2.434 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.397 3.161 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.872 1.544 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.402 1.737 -1.676 1.00 0.00 H new ATOM 1595 N ALA B 124 14.149 -1.099 -5.118 1.00 0.00 N ATOM 1596 CA ALA B 124 14.590 -2.371 -5.690 1.00 0.00 C ATOM 1597 C ALA B 124 15.488 -3.184 -4.736 1.00 0.00 C ATOM 1598 O ALA B 124 15.409 -4.413 -4.715 1.00 0.00 O ATOM 1599 CB ALA B 124 15.297 -2.074 -7.019 1.00 0.00 C ATOM 0 H ALA B 124 14.437 -0.285 -5.661 1.00 0.00 H new ATOM 0 HA ALA B 124 13.717 -3.002 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.636 -3.008 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.603 -1.577 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA B 124 16.154 -1.426 -6.838 1.00 0.00 H new ATOM 1605 N ALA B 125 16.284 -2.509 -3.900 1.00 0.00 N ATOM 1606 CA ALA B 125 17.144 -3.143 -2.900 1.00 0.00 C ATOM 1607 C ALA B 125 16.384 -3.825 -1.735 1.00 0.00 C ATOM 1608 O ALA B 125 16.983 -4.659 -1.047 1.00 0.00 O ATOM 1609 CB ALA B 125 18.140 -2.097 -2.386 1.00 0.00 C ATOM 0 H ALA B 125 16.348 -1.491 -3.901 1.00 0.00 H new ATOM 0 HA ALA B 125 17.665 -3.964 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA B 125 18.791 -2.551 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.742 -1.729 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.596 -1.266 -1.937 1.00 0.00 H new ATOM 1615 N LEU B 126 15.098 -3.512 -1.501 1.00 0.00 N ATOM 1616 CA LEU B 126 14.286 -4.116 -0.423 1.00 0.00 C ATOM 1617 C LEU B 126 13.028 -4.867 -0.911 1.00 0.00 C ATOM 1618 O LEU B 126 12.599 -5.814 -0.247 1.00 0.00 O ATOM 1619 CB LEU B 126 14.015 -3.062 0.674 1.00 0.00 C ATOM 1620 CG LEU B 126 12.851 -2.080 0.410 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.573 -2.534 1.121 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.183 -0.685 0.947 1.00 0.00 C ATOM 0 H LEU B 126 14.586 -2.828 -2.058 1.00 0.00 H new ATOM 0 HA LEU B 126 14.872 -4.920 0.023 1.00 0.00 H new ATOM 0 HB2 LEU B 126 13.815 -3.585 1.609 1.00 0.00 H new ATOM 0 HB3 LEU B 126 14.925 -2.481 0.822 1.00 0.00 H new ATOM 0 HG LEU B 126 12.703 -2.057 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.771 -1.824 0.917 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.285 -3.520 0.757 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.751 -2.581 2.195 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.349 -0.011 0.750 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.358 -0.741 2.021 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.079 -0.308 0.453 1.00 0.00 H new ATOM 1634 N LEU B 127 12.466 -4.522 -2.076 1.00 0.00 N ATOM 1635 CA LEU B 127 11.407 -5.290 -2.758 1.00 0.00 C ATOM 1636 C LEU B 127 11.964 -6.540 -3.459 1.00 0.00 C ATOM 1637 O LEU B 127 11.310 -7.585 -3.476 1.00 0.00 O ATOM 1638 CB LEU B 127 10.698 -4.386 -3.786 1.00 0.00 C ATOM 1639 CG LEU B 127 9.545 -3.535 -3.233 1.00 0.00 C ATOM 1640 CD1 LEU B 127 9.861 -2.694 -1.997 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.065 -2.574 -4.320 1.00 0.00 C ATOM 0 H LEU B 127 12.739 -3.682 -2.586 1.00 0.00 H new ATOM 0 HA LEU B 127 10.697 -5.626 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.438 -3.720 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.311 -5.013 -4.589 1.00 0.00 H new ATOM 0 HG LEU B 127 8.795 -4.264 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.973 -2.137 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.170 -3.348 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.666 -1.996 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.246 -1.967 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.887 -1.925 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.718 -3.144 -5.182 1.00 0.00 H new ATOM 1653 N GLY B 128 13.169 -6.441 -4.030 1.00 0.00 N ATOM 1654 CA GLY B 128 13.883 -7.555 -4.671 1.00 0.00 C ATOM 1655 C GLY B 128 13.111 -8.196 -5.830 1.00 0.00 C ATOM 1656 O GLY B 128 12.654 -7.503 -6.743 1.00 0.00 O ATOM 0 H GLY B 128 13.689 -5.564 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY B 128 14.843 -7.195 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.096 -8.318 -3.922 1.00 0.00 H new ATOM 1660 N LYS B 129 12.930 -9.519 -5.773 1.00 0.00 N ATOM 1661 CA LYS B 129 12.192 -10.327 -6.771 1.00 0.00 C ATOM 1662 C LYS B 129 10.745 -9.857 -6.995 1.00 0.00 C ATOM 1663 O LYS B 129 10.224 -9.968 -8.103 1.00 0.00 O ATOM 1664 CB LYS B 129 12.241 -11.803 -6.305 1.00 0.00 C ATOM 1665 CG LYS B 129 11.573 -12.828 -7.233 1.00 0.00 C ATOM 1666 CD LYS B 129 12.239 -12.903 -8.616 1.00 0.00 C ATOM 1667 CE LYS B 129 11.594 -14.010 -9.454 1.00 0.00 C ATOM 1668 NZ LYS B 129 12.221 -14.122 -10.795 1.00 0.00 N1+ ATOM 0 H LYS B 129 13.302 -10.083 -5.009 1.00 0.00 H new ATOM 0 HA LYS B 129 12.673 -10.208 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS B 129 13.285 -12.087 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS B 129 11.769 -11.869 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS B 129 11.607 -13.812 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS B 129 10.521 -12.569 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS B 129 12.141 -11.946 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS B 129 13.306 -13.096 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS B 129 11.684 -14.962 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS B 129 10.529 -13.807 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 11.757 -14.882 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 12.113 -13.222 -11.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 13.232 -14.341 -10.688 1.00 0.00 H new ATOM 1682 N GLU B 130 10.109 -9.295 -5.966 1.00 0.00 N ATOM 1683 CA GLU B 130 8.716 -8.831 -5.985 1.00 0.00 C ATOM 1684 C GLU B 130 8.541 -7.370 -6.457 1.00 0.00 C ATOM 1685 O GLU B 130 7.429 -6.841 -6.416 1.00 0.00 O ATOM 1686 CB GLU B 130 8.076 -9.063 -4.602 1.00 0.00 C ATOM 1687 CG GLU B 130 8.180 -10.492 -4.027 1.00 0.00 C ATOM 1688 CD GLU B 130 7.356 -11.548 -4.790 1.00 0.00 C ATOM 1689 OE1 GLU B 130 6.604 -12.312 -4.142 1.00 0.00 O ATOM 1690 OE2 GLU B 130 7.417 -11.644 -6.041 1.00 0.00 O1- ATOM 0 H GLU B 130 10.562 -9.144 -5.065 1.00 0.00 H new ATOM 0 HA GLU B 130 8.195 -9.425 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU B 130 8.537 -8.375 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.021 -8.796 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU B 130 9.227 -10.796 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.854 -10.477 -2.987 1.00 0.00 H new ATOM 1697 N PHE B 131 9.610 -6.699 -6.912 1.00 0.00 N ATOM 1698 CA PHE B 131 9.530 -5.357 -7.503 1.00 0.00 C ATOM 1699 C PHE B 131 8.644 -5.353 -8.764 1.00 0.00 C ATOM 1700 O PHE B 131 8.774 -6.216 -9.640 1.00 0.00 O ATOM 1701 CB PHE B 131 10.944 -4.841 -7.800 1.00 0.00 C ATOM 1702 CG PHE B 131 11.039 -3.398 -8.268 1.00 0.00 C ATOM 1703 CD1 PHE B 131 10.849 -3.085 -9.627 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.354 -2.374 -7.355 1.00 0.00 C ATOM 1705 CE1 PHE B 131 10.940 -1.751 -10.066 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.474 -1.043 -7.797 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.253 -0.728 -9.150 1.00 0.00 C ATOM 0 H PHE B 131 10.558 -7.075 -6.880 1.00 0.00 H new ATOM 0 HA PHE B 131 9.059 -4.682 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.547 -4.951 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.391 -5.480 -8.562 1.00 0.00 H new ATOM 0 HD1 PHE B 131 10.633 -3.871 -10.335 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.504 -2.610 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE B 131 10.770 -1.512 -11.105 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.736 -0.263 -7.097 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.323 0.296 -9.486 1.00 0.00 H new ATOM 1717 N ILE B 132 7.732 -4.381 -8.865 1.00 0.00 N ATOM 1718 CA ILE B 132 6.730 -4.300 -9.942 1.00 0.00 C ATOM 1719 C ILE B 132 7.370 -4.058 -11.321 1.00 0.00 C ATOM 1720 O ILE B 132 8.349 -3.320 -11.454 1.00 0.00 O ATOM 1721 CB ILE B 132 5.667 -3.230 -9.582 1.00 0.00 C ATOM 1722 CG1 ILE B 132 4.259 -3.614 -10.068 1.00 0.00 C ATOM 1723 CG2 ILE B 132 6.020 -1.840 -10.130 1.00 0.00 C ATOM 1724 CD1 ILE B 132 3.634 -4.706 -9.199 1.00 0.00 C ATOM 0 H ILE B 132 7.665 -3.616 -8.194 1.00 0.00 H new ATOM 0 HA ILE B 132 6.230 -5.265 -10.024 1.00 0.00 H new ATOM 0 HB ILE B 132 5.667 -3.189 -8.493 1.00 0.00 H new ATOM 0 HG12 ILE B 132 3.619 -2.732 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE B 132 4.313 -3.958 -11.101 1.00 0.00 H new ATOM 0 HG21 ILE B 132 5.242 -1.130 -9.849 1.00 0.00 H new ATOM 0 HG22 ILE B 132 6.974 -1.517 -9.714 1.00 0.00 H new ATOM 0 HG23 ILE B 132 6.094 -1.885 -11.217 1.00 0.00 H new ATOM 0 HD11 ILE B 132 2.640 -4.947 -9.577 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.260 -5.598 -9.229 1.00 0.00 H new ATOM 0 HD13 ILE B 132 3.555 -4.352 -8.171 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.419 13.719 9.609 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.524 12.548 9.528 1.00 0.00 C ATOM 1995 C TRP B 156 -4.860 11.616 8.347 1.00 0.00 C ATOM 1996 O TRP B 156 -3.959 11.213 7.609 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.526 11.793 10.872 1.00 0.00 C ATOM 1998 CG TRP B 156 -5.799 11.099 11.266 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.771 11.617 12.049 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.283 9.775 10.865 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -7.829 10.734 12.137 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -7.593 9.591 11.409 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -5.769 8.723 10.077 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.357 8.438 11.171 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -6.529 7.563 9.825 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -7.821 7.424 10.362 1.00 0.00 C ATOM 0 HA TRP B 156 -3.517 12.915 9.332 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -3.730 11.049 10.843 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.270 12.503 11.659 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.727 12.581 12.535 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.679 10.907 12.674 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -4.776 8.808 9.660 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -9.341 8.333 11.603 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -6.115 6.774 9.214 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -8.401 6.537 10.152 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.149 11.316 8.128 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.617 10.453 7.033 1.00 0.00 C ATOM 2019 C LYS B 157 -6.455 11.093 5.648 1.00 0.00 C ATOM 2020 O LYS B 157 -6.143 10.389 4.690 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.048 9.931 7.291 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.216 10.930 7.186 1.00 0.00 C ATOM 2023 CD LYS B 157 -9.335 11.912 8.365 1.00 0.00 C ATOM 2024 CE LYS B 157 -10.629 12.737 8.262 1.00 0.00 C ATOM 2025 NZ LYS B 157 -10.498 13.868 7.318 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.905 11.670 8.714 1.00 0.00 H new ATOM 0 HA LYS B 157 -5.961 9.583 7.021 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.239 9.120 6.588 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -8.069 9.497 8.291 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -9.104 11.502 6.265 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -10.148 10.370 7.102 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -9.324 11.361 9.305 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -8.473 12.579 8.376 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -11.445 12.090 7.940 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -10.894 13.118 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -11.433 14.291 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -9.861 14.584 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -10.108 13.525 6.417 1.00 0.00 H new ATOM 2039 N ASP B 158 -6.594 12.414 5.550 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.422 13.169 4.301 1.00 0.00 C ATOM 2041 C ASP B 158 -4.941 13.240 3.907 1.00 0.00 C ATOM 2042 O ASP B 158 -4.582 12.926 2.771 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.004 14.591 4.422 1.00 0.00 C ATOM 2044 CG ASP B 158 -8.461 14.680 4.898 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -8.865 15.773 5.350 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.220 13.688 4.831 1.00 0.00 O1- ATOM 0 H ASP B 158 -6.833 13.004 6.347 1.00 0.00 H new ATOM 0 HA ASP B 158 -6.969 12.640 3.521 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -6.381 15.160 5.112 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -6.929 15.077 3.449 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.071 13.598 4.859 1.00 0.00 N ATOM 2052 CA ASP B 159 -2.620 13.709 4.652 1.00 0.00 C ATOM 2053 C ASP B 159 -1.962 12.346 4.359 1.00 0.00 C ATOM 2054 O ASP B 159 -0.978 12.289 3.619 1.00 0.00 O ATOM 2055 CB ASP B 159 -1.956 14.366 5.878 1.00 0.00 C ATOM 2056 CG ASP B 159 -2.371 15.828 6.141 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -2.152 16.302 7.282 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -2.859 16.529 5.222 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.359 13.823 5.811 1.00 0.00 H new ATOM 0 HA ASP B 159 -2.468 14.337 3.774 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -2.192 13.773 6.761 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -0.874 14.329 5.749 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.497 11.247 4.908 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.036 9.891 4.613 1.00 0.00 C ATOM 2065 C TYR B 160 -2.530 9.400 3.241 1.00 0.00 C ATOM 2066 O TYR B 160 -1.715 9.095 2.368 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.455 8.960 5.760 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.893 7.556 5.668 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.513 7.336 5.859 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.754 6.463 5.448 1.00 0.00 C ATOM 2071 CE1 TYR B 160 0.001 6.027 5.825 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -2.247 5.152 5.439 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.864 4.933 5.635 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.357 3.672 5.693 1.00 0.00 O ATOM 0 H TYR B 160 -3.268 11.279 5.575 1.00 0.00 H new ATOM 0 HA TYR B 160 -0.948 9.889 4.545 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.139 9.403 6.704 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.543 8.901 5.784 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.149 8.172 6.031 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.808 6.633 5.286 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.061 5.861 5.945 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.911 4.315 5.283 1.00 0.00 H new ATOM 0 HH TYR B 160 -1.047 3.057 6.020 1.00 0.00 H new ATOM 2084 N LEU B 161 -3.849 9.364 3.014 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.439 8.777 1.803 1.00 0.00 C ATOM 2086 C LEU B 161 -4.105 9.565 0.524 1.00 0.00 C ATOM 2087 O LEU B 161 -3.872 8.959 -0.521 1.00 0.00 O ATOM 2088 CB LEU B 161 -5.957 8.633 2.008 1.00 0.00 C ATOM 2089 CG LEU B 161 -6.695 7.914 0.861 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.244 6.458 0.683 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.196 7.914 1.145 1.00 0.00 C ATOM 0 H LEU B 161 -4.538 9.741 3.665 1.00 0.00 H new ATOM 0 HA LEU B 161 -3.996 7.793 1.651 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.135 8.088 2.935 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.389 9.626 2.134 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.459 8.457 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -6.798 6.003 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.177 6.432 0.460 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.436 5.903 1.601 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -8.720 7.406 0.335 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.389 7.395 2.084 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.552 8.941 1.219 1.00 0.00 H new ATOM 2103 N SER B 162 -4.026 10.900 0.589 1.00 0.00 N ATOM 2104 CA SER B 162 -3.645 11.721 -0.570 1.00 0.00 C ATOM 2105 C SER B 162 -2.191 11.466 -0.989 1.00 0.00 C ATOM 2106 O SER B 162 -1.926 11.275 -2.177 1.00 0.00 O ATOM 2107 CB SER B 162 -3.884 13.205 -0.294 1.00 0.00 C ATOM 2108 OG SER B 162 -3.620 13.968 -1.462 1.00 0.00 O ATOM 0 H SER B 162 -4.221 11.437 1.434 1.00 0.00 H new ATOM 0 HA SER B 162 -4.282 11.426 -1.403 1.00 0.00 H new ATOM 0 HB2 SER B 162 -4.914 13.362 0.027 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.242 13.539 0.521 1.00 0.00 H new ATOM 0 HG SER B 162 -4.374 14.568 -1.638 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.253 11.366 -0.032 1.00 0.00 N ATOM 2115 CA ARG B 163 0.133 10.966 -0.326 1.00 0.00 C ATOM 2116 C ARG B 163 0.209 9.546 -0.872 1.00 0.00 C ATOM 2117 O ARG B 163 0.879 9.330 -1.879 1.00 0.00 O ATOM 2118 CB ARG B 163 1.039 11.121 0.904 1.00 0.00 C ATOM 2119 CG ARG B 163 1.421 12.589 1.144 1.00 0.00 C ATOM 2120 CD ARG B 163 2.465 12.703 2.257 1.00 0.00 C ATOM 2121 NE ARG B 163 1.898 12.369 3.575 1.00 0.00 N ATOM 2122 CZ ARG B 163 2.570 12.162 4.689 1.00 0.00 C ATOM 2123 NH1 ARG B 163 3.875 12.142 4.737 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 1.922 11.973 5.803 1.00 0.00 N ATOM 0 H ARG B 163 -1.430 11.557 0.954 1.00 0.00 H new ATOM 0 HA ARG B 163 0.497 11.641 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.529 10.729 1.784 1.00 0.00 H new ATOM 0 HB3 ARG B 163 1.943 10.527 0.768 1.00 0.00 H new ATOM 0 HG2 ARG B 163 1.814 13.022 0.224 1.00 0.00 H new ATOM 0 HG3 ARG B 163 0.533 13.162 1.412 1.00 0.00 H new ATOM 0 HD2 ARG B 163 3.300 12.037 2.041 1.00 0.00 H new ATOM 0 HD3 ARG B 163 2.863 13.717 2.279 1.00 0.00 H new ATOM 0 HE ARG B 163 0.883 12.290 3.631 1.00 0.00 H new ATOM 0 HH11 ARG B 163 4.419 12.291 3.887 1.00 0.00 H new ATOM 0 HH12 ARG B 163 4.350 11.978 5.624 1.00 0.00 H new ATOM 0 HH21 ARG B 163 0.902 11.986 5.808 1.00 0.00 H new ATOM 0 HH22 ARG B 163 2.434 11.812 6.670 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.512 8.588 -0.283 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.564 7.212 -0.800 1.00 0.00 C ATOM 2140 C LEU B 164 -1.112 7.147 -2.242 1.00 0.00 C ATOM 2141 O LEU B 164 -0.623 6.346 -3.039 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.370 6.317 0.161 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.496 5.492 1.127 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.259 6.335 2.152 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.369 4.491 1.881 1.00 0.00 C ATOM 0 H LEU B 164 -1.071 8.738 0.557 1.00 0.00 H new ATOM 0 HA LEU B 164 0.457 6.833 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.047 6.943 0.743 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -1.989 5.637 -0.424 1.00 0.00 H new ATOM 0 HG LEU B 164 0.248 4.993 0.505 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.851 5.683 2.795 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.919 7.031 1.635 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.453 6.894 2.759 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.749 3.909 2.563 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.129 5.027 2.449 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.853 3.822 1.170 1.00 0.00 H new ATOM 2157 N SER B 165 -2.046 8.021 -2.624 1.00 0.00 N ATOM 2158 CA SER B 165 -2.502 8.141 -4.018 1.00 0.00 C ATOM 2159 C SER B 165 -1.397 8.667 -4.957 1.00 0.00 C ATOM 2160 O SER B 165 -1.173 8.081 -6.020 1.00 0.00 O ATOM 2161 CB SER B 165 -3.774 8.992 -4.077 1.00 0.00 C ATOM 2162 OG SER B 165 -4.188 9.178 -5.419 1.00 0.00 O ATOM 0 H SER B 165 -2.508 8.665 -1.982 1.00 0.00 H new ATOM 0 HA SER B 165 -2.742 7.143 -4.385 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.569 8.508 -3.509 1.00 0.00 H new ATOM 0 HB3 SER B 165 -3.593 9.960 -3.609 1.00 0.00 H new ATOM 0 HG SER B 165 -5.003 9.722 -5.438 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.630 9.684 -4.538 1.00 0.00 N ATOM 2169 CA ARG B 166 0.501 10.262 -5.301 1.00 0.00 C ATOM 2170 C ARG B 166 1.696 9.304 -5.448 1.00 0.00 C ATOM 2171 O ARG B 166 2.322 9.262 -6.512 1.00 0.00 O ATOM 2172 CB ARG B 166 0.973 11.556 -4.611 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.084 12.672 -4.582 1.00 0.00 C ATOM 2174 CD ARG B 166 0.366 13.810 -3.656 1.00 0.00 C ATOM 2175 NE ARG B 166 -0.778 14.488 -3.012 1.00 0.00 N ATOM 2176 CZ ARG B 166 -0.823 15.741 -2.603 1.00 0.00 C ATOM 2177 NH1 ARG B 166 0.133 16.592 -2.819 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -1.856 16.169 -1.946 1.00 0.00 N ATOM 0 H ARG B 166 -0.777 10.143 -3.639 1.00 0.00 H new ATOM 0 HA ARG B 166 0.130 10.462 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG B 166 1.268 11.323 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.862 11.925 -5.123 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.244 13.056 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.037 12.270 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG B 166 1.029 13.411 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.942 14.537 -4.229 1.00 0.00 H new ATOM 0 HE ARG B 166 -1.619 13.930 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG B 166 0.969 16.302 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG B 166 0.048 17.551 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -2.631 15.537 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -1.893 17.138 -1.629 1.00 0.00 H new ATOM 2192 N LEU B 167 2.024 8.550 -4.395 1.00 0.00 N ATOM 2193 CA LEU B 167 3.155 7.606 -4.328 1.00 0.00 C ATOM 2194 C LEU B 167 2.999 6.408 -5.293 1.00 0.00 C ATOM 2195 O LEU B 167 1.895 5.966 -5.627 1.00 0.00 O ATOM 2196 CB LEU B 167 3.330 7.115 -2.869 1.00 0.00 C ATOM 2197 CG LEU B 167 4.392 7.861 -2.043 1.00 0.00 C ATOM 2198 CD1 LEU B 167 4.201 9.370 -1.918 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.421 7.275 -0.629 1.00 0.00 C ATOM 0 H LEU B 167 1.489 8.578 -3.527 1.00 0.00 H new ATOM 0 HA LEU B 167 4.049 8.141 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.371 7.200 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.588 6.056 -2.889 1.00 0.00 H new ATOM 0 HG LEU B 167 5.324 7.719 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU B 167 5.007 9.790 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU B 167 4.216 9.822 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.244 9.577 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.171 7.797 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.442 7.395 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.671 6.215 -0.679 1.00 0.00 H new ATOM 2211 N SER B 168 4.139 5.861 -5.724 1.00 0.00 N ATOM 2212 CA SER B 168 4.240 4.678 -6.591 1.00 0.00 C ATOM 2213 C SER B 168 3.774 3.379 -5.908 1.00 0.00 C ATOM 2214 O SER B 168 3.872 3.231 -4.689 1.00 0.00 O ATOM 2215 CB SER B 168 5.690 4.549 -7.069 1.00 0.00 C ATOM 2216 OG SER B 168 5.871 3.373 -7.842 1.00 0.00 O ATOM 0 H SER B 168 5.051 6.241 -5.471 1.00 0.00 H new ATOM 0 HA SER B 168 3.567 4.822 -7.436 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.960 5.423 -7.662 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.359 4.529 -6.209 1.00 0.00 H new ATOM 0 HG SER B 168 6.804 3.315 -8.136 1.00 0.00 H new ATOM 2222 N LYS B 169 3.357 2.387 -6.707 1.00 0.00 N ATOM 2223 CA LYS B 169 3.138 0.991 -6.279 1.00 0.00 C ATOM 2224 C LYS B 169 4.374 0.414 -5.562 1.00 0.00 C ATOM 2225 O LYS B 169 4.227 -0.288 -4.564 1.00 0.00 O ATOM 2226 CB LYS B 169 2.735 0.187 -7.536 1.00 0.00 C ATOM 2227 CG LYS B 169 2.597 -1.339 -7.394 1.00 0.00 C ATOM 2228 CD LYS B 169 1.631 -1.781 -6.284 1.00 0.00 C ATOM 2229 CE LYS B 169 1.555 -3.312 -6.181 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.647 -3.912 -7.195 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.156 2.533 -7.696 1.00 0.00 H new ATOM 0 HA LYS B 169 2.339 0.932 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.783 0.578 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.473 0.386 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS B 169 2.256 -1.752 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS B 169 3.581 -1.765 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS B 169 1.957 -1.367 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS B 169 0.638 -1.379 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.554 -3.730 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.212 -3.588 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.963 -4.878 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.322 -3.941 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.665 -3.336 -8.061 1.00 0.00 H new ATOM 2244 N ASN B 170 5.587 0.773 -5.997 1.00 0.00 N ATOM 2245 CA ASN B 170 6.832 0.400 -5.313 1.00 0.00 C ATOM 2246 C ASN B 170 6.971 1.058 -3.923 1.00 0.00 C ATOM 2247 O ASN B 170 7.342 0.394 -2.953 1.00 0.00 O ATOM 2248 CB ASN B 170 8.031 0.762 -6.206 1.00 0.00 C ATOM 2249 CG ASN B 170 8.028 0.054 -7.549 1.00 0.00 C ATOM 2250 OD1 ASN B 170 7.826 0.653 -8.593 1.00 0.00 O ATOM 2251 ND2 ASN B 170 8.260 -1.241 -7.555 1.00 0.00 N ATOM 0 H ASN B 170 5.734 1.333 -6.837 1.00 0.00 H new ATOM 0 HA ASN B 170 6.806 -0.676 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN B 170 8.036 1.839 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.953 0.517 -5.678 1.00 0.00 H new ATOM 0 HD21 ASN B 170 8.272 -1.753 -8.437 1.00 0.00 H new ATOM 0 HD22 ASN B 170 8.428 -1.733 -6.677 1.00 0.00 H new ATOM 2258 N GLN B 171 6.645 2.348 -3.819 1.00 0.00 N ATOM 2259 CA GLN B 171 6.698 3.101 -2.558 1.00 0.00 C ATOM 2260 C GLN B 171 5.654 2.606 -1.542 1.00 0.00 C ATOM 2261 O GLN B 171 5.971 2.500 -0.355 1.00 0.00 O ATOM 2262 CB GLN B 171 6.515 4.600 -2.846 1.00 0.00 C ATOM 2263 CG GLN B 171 7.755 5.227 -3.504 1.00 0.00 C ATOM 2264 CD GLN B 171 7.517 6.680 -3.899 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.706 6.988 -4.765 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.193 7.630 -3.291 1.00 0.00 N ATOM 0 H GLN B 171 6.334 2.907 -4.613 1.00 0.00 H new ATOM 0 HA GLN B 171 7.676 2.936 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.652 4.739 -3.497 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.299 5.122 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.598 5.172 -2.815 1.00 0.00 H new ATOM 0 HG3 GLN B 171 8.027 4.651 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN B 171 8.872 7.390 -2.568 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.039 8.606 -3.542 1.00 0.00 H new ATOM 2275 N LEU B 172 4.437 2.259 -1.982 1.00 0.00 N ATOM 2276 CA LEU B 172 3.396 1.683 -1.117 1.00 0.00 C ATOM 2277 C LEU B 172 3.795 0.315 -0.553 1.00 0.00 C ATOM 2278 O LEU B 172 3.579 0.059 0.633 1.00 0.00 O ATOM 2279 CB LEU B 172 2.053 1.607 -1.870 1.00 0.00 C ATOM 2280 CG LEU B 172 1.153 2.829 -1.627 1.00 0.00 C ATOM 2281 CD1 LEU B 172 1.799 4.141 -2.055 1.00 0.00 C ATOM 2282 CD2 LEU B 172 -0.160 2.666 -2.391 1.00 0.00 C ATOM 0 H LEU B 172 4.145 2.370 -2.953 1.00 0.00 H new ATOM 0 HA LEU B 172 3.279 2.348 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.248 1.514 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.522 0.706 -1.563 1.00 0.00 H new ATOM 0 HG LEU B 172 0.981 2.876 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU B 172 1.114 4.965 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU B 172 2.721 4.293 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU B 172 2.025 4.104 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -0.794 3.535 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.048 2.579 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -0.672 1.768 -2.047 1.00 0.00 H new ATOM 2294 N MET B 173 4.425 -0.548 -1.355 1.00 0.00 N ATOM 2295 CA MET B 173 5.002 -1.799 -0.842 1.00 0.00 C ATOM 2296 C MET B 173 6.095 -1.544 0.203 1.00 0.00 C ATOM 2297 O MET B 173 6.148 -2.237 1.218 1.00 0.00 O ATOM 2298 CB MET B 173 5.547 -2.648 -1.995 1.00 0.00 C ATOM 2299 CG MET B 173 4.410 -3.304 -2.791 1.00 0.00 C ATOM 2300 SD MET B 173 4.962 -4.524 -4.013 1.00 0.00 S ATOM 2301 CE MET B 173 5.569 -3.449 -5.328 1.00 0.00 C ATOM 0 H MET B 173 4.549 -0.407 -2.357 1.00 0.00 H new ATOM 0 HA MET B 173 4.202 -2.347 -0.345 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.145 -2.023 -2.659 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.209 -3.419 -1.600 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.727 -3.789 -2.094 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.844 -2.525 -3.302 1.00 0.00 H new ATOM 0 HE1 MET B 173 4.929 -3.550 -6.205 1.00 0.00 H new ATOM 0 HE2 MET B 173 5.556 -2.414 -4.987 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.589 -3.733 -5.588 1.00 0.00 H new ATOM 2311 N ALA B 174 6.946 -0.534 0.006 1.00 0.00 N ATOM 2312 CA ALA B 174 8.040 -0.223 0.925 1.00 0.00 C ATOM 2313 C ALA B 174 7.578 0.424 2.246 1.00 0.00 C ATOM 2314 O ALA B 174 8.046 0.012 3.309 1.00 0.00 O ATOM 2315 CB ALA B 174 9.054 0.634 0.173 1.00 0.00 C ATOM 0 H ALA B 174 6.894 0.092 -0.798 1.00 0.00 H new ATOM 0 HA ALA B 174 8.505 -1.155 1.246 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.883 0.882 0.835 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.430 0.081 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.574 1.552 -0.166 1.00 0.00 H new ATOM 2321 N LEU B 175 6.637 1.382 2.220 1.00 0.00 N ATOM 2322 CA LEU B 175 6.082 1.987 3.444 1.00 0.00 C ATOM 2323 C LEU B 175 5.296 0.952 4.271 1.00 0.00 C ATOM 2324 O LEU B 175 5.416 0.919 5.496 1.00 0.00 O ATOM 2325 CB LEU B 175 5.288 3.280 3.117 1.00 0.00 C ATOM 2326 CG LEU B 175 3.843 3.127 2.598 1.00 0.00 C ATOM 2327 CD1 LEU B 175 2.828 3.173 3.741 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.488 4.253 1.624 1.00 0.00 C ATOM 0 H LEU B 175 6.242 1.757 1.358 1.00 0.00 H new ATOM 0 HA LEU B 175 6.904 2.304 4.086 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.256 3.891 4.019 1.00 0.00 H new ATOM 0 HB3 LEU B 175 5.853 3.841 2.372 1.00 0.00 H new ATOM 0 HG LEU B 175 3.797 2.160 2.098 1.00 0.00 H new ATOM 0 HD11 LEU B 175 1.821 3.062 3.338 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.030 2.362 4.440 1.00 0.00 H new ATOM 0 HD13 LEU B 175 2.908 4.128 4.260 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.464 4.121 1.273 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.577 5.214 2.131 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.169 4.227 0.773 1.00 0.00 H new ATOM 2340 N ALA B 176 4.565 0.050 3.601 1.00 0.00 N ATOM 2341 CA ALA B 176 3.885 -1.078 4.235 1.00 0.00 C ATOM 2342 C ALA B 176 4.873 -2.055 4.903 1.00 0.00 C ATOM 2343 O ALA B 176 4.687 -2.435 6.062 1.00 0.00 O ATOM 2344 CB ALA B 176 3.030 -1.783 3.178 1.00 0.00 C ATOM 0 H ALA B 176 4.430 0.088 2.591 1.00 0.00 H new ATOM 0 HA ALA B 176 3.249 -0.704 5.037 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.514 -2.629 3.632 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.297 -1.083 2.777 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.670 -2.140 2.371 1.00 0.00 H new ATOM 2350 N LEU B 177 5.956 -2.429 4.210 1.00 0.00 N ATOM 2351 CA LEU B 177 7.017 -3.290 4.745 1.00 0.00 C ATOM 2352 C LEU B 177 7.680 -2.661 5.986 1.00 0.00 C ATOM 2353 O LEU B 177 7.821 -3.331 7.015 1.00 0.00 O ATOM 2354 CB LEU B 177 8.006 -3.601 3.599 1.00 0.00 C ATOM 2355 CG LEU B 177 9.112 -4.644 3.851 1.00 0.00 C ATOM 2356 CD1 LEU B 177 10.229 -4.172 4.787 1.00 0.00 C ATOM 2357 CD2 LEU B 177 8.553 -5.975 4.353 1.00 0.00 C ATOM 0 H LEU B 177 6.122 -2.137 3.247 1.00 0.00 H new ATOM 0 HA LEU B 177 6.604 -4.233 5.103 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.425 -3.934 2.739 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.489 -2.666 3.314 1.00 0.00 H new ATOM 0 HG LEU B 177 9.561 -4.789 2.868 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.963 -4.968 4.908 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.713 -3.293 4.361 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.806 -3.918 5.759 1.00 0.00 H new ATOM 0 HD21 LEU B 177 9.372 -6.676 4.515 1.00 0.00 H new ATOM 0 HD22 LEU B 177 8.021 -5.816 5.291 1.00 0.00 H new ATOM 0 HD23 LEU B 177 7.867 -6.384 3.611 1.00 0.00 H new ATOM 2369 N LYS B 178 8.020 -1.363 5.938 1.00 0.00 N ATOM 2370 CA LYS B 178 8.632 -0.643 7.066 1.00 0.00 C ATOM 2371 C LYS B 178 7.717 -0.568 8.290 1.00 0.00 C ATOM 2372 O LYS B 178 8.177 -0.889 9.393 1.00 0.00 O ATOM 2373 CB LYS B 178 9.103 0.750 6.614 1.00 0.00 C ATOM 2374 CG LYS B 178 10.363 0.655 5.742 1.00 0.00 C ATOM 2375 CD LYS B 178 10.772 2.029 5.194 1.00 0.00 C ATOM 2376 CE LYS B 178 11.966 1.913 4.236 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.246 1.728 4.967 1.00 0.00 N1+ ATOM 0 H LYS B 178 7.877 -0.781 5.112 1.00 0.00 H new ATOM 0 HA LYS B 178 9.503 -1.215 7.386 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.307 1.242 6.055 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.308 1.369 7.488 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.182 0.237 6.328 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.183 -0.030 4.913 1.00 0.00 H new ATOM 0 HD2 LYS B 178 9.928 2.482 4.674 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.029 2.691 6.021 1.00 0.00 H new ATOM 0 HE2 LYS B 178 11.809 1.072 3.560 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.026 2.810 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 13.962 1.339 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.572 2.645 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.101 1.070 5.759 1.00 0.00 H new ATOM 2391 N LEU B 179 6.431 -0.231 8.134 1.00 0.00 N ATOM 2392 CA LEU B 179 5.482 -0.215 9.261 1.00 0.00 C ATOM 2393 C LEU B 179 5.178 -1.616 9.826 1.00 0.00 C ATOM 2394 O LEU B 179 4.837 -1.730 11.007 1.00 0.00 O ATOM 2395 CB LEU B 179 4.228 0.629 8.927 1.00 0.00 C ATOM 2396 CG LEU B 179 3.210 0.070 7.920 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.266 -0.976 8.510 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.338 1.204 7.376 1.00 0.00 C ATOM 0 H LEU B 179 6.021 0.035 7.239 1.00 0.00 H new ATOM 0 HA LEU B 179 5.973 0.292 10.091 1.00 0.00 H new ATOM 0 HB2 LEU B 179 3.699 0.819 9.861 1.00 0.00 H new ATOM 0 HB3 LEU B 179 4.569 1.594 8.552 1.00 0.00 H new ATOM 0 HG LEU B 179 3.806 -0.406 7.142 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.578 -1.322 7.738 1.00 0.00 H new ATOM 0 HD12 LEU B 179 2.846 -1.820 8.884 1.00 0.00 H new ATOM 0 HD13 LEU B 179 1.699 -0.534 9.329 1.00 0.00 H new ATOM 0 HD21 LEU B 179 1.619 0.800 6.663 1.00 0.00 H new ATOM 0 HD22 LEU B 179 1.805 1.680 8.199 1.00 0.00 H new ATOM 0 HD23 LEU B 179 2.968 1.941 6.878 1.00 0.00 H new ATOM 2410 N LYS B 180 5.342 -2.685 9.032 1.00 0.00 N ATOM 2411 CA LYS B 180 5.252 -4.085 9.487 1.00 0.00 C ATOM 2412 C LYS B 180 6.500 -4.537 10.258 1.00 0.00 C ATOM 2413 O LYS B 180 6.386 -5.191 11.292 1.00 0.00 O ATOM 2414 CB LYS B 180 4.961 -4.990 8.276 1.00 0.00 C ATOM 2415 CG LYS B 180 4.805 -6.487 8.612 1.00 0.00 C ATOM 2416 CD LYS B 180 3.724 -6.839 9.649 1.00 0.00 C ATOM 2417 CE LYS B 180 2.310 -6.356 9.287 1.00 0.00 C ATOM 2418 NZ LYS B 180 1.748 -7.102 8.132 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.545 -2.601 8.036 1.00 0.00 H new ATOM 0 HA LYS B 180 4.430 -4.165 10.198 1.00 0.00 H new ATOM 0 HB2 LYS B 180 4.048 -4.643 7.792 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.768 -4.876 7.553 1.00 0.00 H new ATOM 0 HG2 LYS B 180 4.584 -7.024 7.690 1.00 0.00 H new ATOM 0 HG3 LYS B 180 5.763 -6.859 8.975 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.702 -7.921 9.779 1.00 0.00 H new ATOM 0 HD3 LYS B 180 4.006 -6.408 10.610 1.00 0.00 H new ATOM 0 HE2 LYS B 180 1.654 -6.475 10.149 1.00 0.00 H new ATOM 0 HE3 LYS B 180 2.339 -5.292 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 1.664 -6.464 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 2.378 -7.893 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 0.808 -7.471 8.381 1.00 0.00 H new ATOM 2432 N GLN B 181 7.688 -4.134 9.809 1.00 0.00 N ATOM 2433 CA GLN B 181 8.969 -4.494 10.426 1.00 0.00 C ATOM 2434 C GLN B 181 9.106 -3.910 11.844 1.00 0.00 C ATOM 2435 O GLN B 181 9.647 -4.563 12.734 1.00 0.00 O ATOM 2436 CB GLN B 181 10.099 -4.030 9.488 1.00 0.00 C ATOM 2437 CG GLN B 181 11.493 -4.444 10.003 1.00 0.00 C ATOM 2438 CD GLN B 181 12.592 -4.394 8.939 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.499 -5.216 8.910 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.569 -3.459 8.013 1.00 0.00 N ATOM 0 H GLN B 181 7.792 -3.536 8.989 1.00 0.00 H new ATOM 0 HA GLN B 181 9.028 -5.575 10.553 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.941 -4.452 8.495 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.060 -2.946 9.384 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.772 -3.790 10.829 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.435 -5.456 10.403 1.00 0.00 H new ATOM 0 HE21 GLN B 181 11.826 -2.761 8.012 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.295 -3.433 7.297 1.00 0.00 H new ATOM 2449 N GLN B 182 8.601 -2.690 12.061 1.00 0.00 N ATOM 2450 CA GLN B 182 8.654 -1.985 13.349 1.00 0.00 C ATOM 2451 C GLN B 182 7.490 -2.321 14.305 1.00 0.00 C ATOM 2452 O GLN B 182 7.570 -1.954 15.479 1.00 0.00 O ATOM 2453 CB GLN B 182 8.779 -0.472 13.077 1.00 0.00 C ATOM 2454 CG GLN B 182 7.520 0.177 12.472 1.00 0.00 C ATOM 2455 CD GLN B 182 6.458 0.546 13.510 1.00 0.00 C ATOM 2456 OE1 GLN B 182 6.701 1.275 14.466 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.245 0.056 13.378 1.00 0.00 N ATOM 0 H GLN B 182 8.134 -2.153 11.331 1.00 0.00 H new ATOM 0 HA GLN B 182 9.534 -2.337 13.887 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.018 0.033 14.013 1.00 0.00 H new ATOM 0 HB3 GLN B 182 9.618 -0.306 12.401 1.00 0.00 H new ATOM 0 HG2 GLN B 182 7.811 1.076 11.928 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.083 -0.508 11.745 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.024 -0.552 12.590 1.00 0.00 H new ATOM 0 HE22 GLN B 182 4.525 0.284 14.064 1.00 0.00 H new