USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 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: A 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 ASN : amide:sc= -2.01! C(o=-2!,f=-1.9!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 162:sc= 1.07 (180deg=0) USER MOD Set 2.2: B 181 GLN : amide:sc= 0.914 K(o=2,f=-2.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 165:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0.541 (180deg=0.492) USER MOD Single : A 71 GLN : amide:sc= 1.09 K(o=1.1,f=-4.5!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.12) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.1) USER MOD Single : B 113 SER OG : rot 180:sc= 0.639 USER MOD Single : B 119 GLN : amide:sc= 1.05 K(o=1.1,f=-0.0025) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 TYR OH : rot 155:sc= 0.154 USER MOD Single : B 162 SER OG : rot 180:sc= 0 USER MOD Single : B 165 SER OG : rot -58:sc= 0.349 USER MOD Single : B 168 SER OG : rot 180:sc=-0.00223 USER MOD Single : B 169 LYS NZ :NH3+ 152:sc= 2.06 (180deg=1.18) USER MOD Single : B 170 ASN :FLIP amide:sc= -0.824 F(o=-2.7!,f=-0.82) USER MOD Single : B 171 GLN : amide:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : B 173 MET CE :methyl -174:sc= 0 (180deg=-0.041) USER MOD Single : B 178 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.23) USER MOD Single : B 180 LYS NZ :NH3+ -155:sc= 0.0817 (180deg=0.00266) USER MOD Single : B 182 GLN : amide:sc= 0.227 K(o=0.23,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -7.621 -7.878 7.444 1.00 0.00 N ATOM 133 CA GLU A 11 -7.785 -6.762 6.512 1.00 0.00 C ATOM 134 C GLU A 11 -7.653 -7.225 5.052 1.00 0.00 C ATOM 135 O GLU A 11 -8.417 -6.808 4.181 1.00 0.00 O ATOM 136 CB GLU A 11 -6.720 -5.682 6.812 1.00 0.00 C ATOM 137 CG GLU A 11 -6.655 -5.188 8.270 1.00 0.00 C ATOM 138 CD GLU A 11 -5.636 -5.930 9.172 1.00 0.00 C ATOM 139 OE1 GLU A 11 -4.999 -5.260 10.019 1.00 0.00 O ATOM 140 OE2 GLU A 11 -5.493 -7.177 9.076 1.00 0.00 O1- ATOM 0 HA GLU A 11 -8.785 -6.350 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.742 -6.078 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.908 -4.824 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.408 -4.126 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.646 -5.283 8.714 1.00 0.00 H new ATOM 147 N LEU A 12 -6.711 -8.134 4.786 1.00 0.00 N ATOM 148 CA LEU A 12 -6.405 -8.644 3.453 1.00 0.00 C ATOM 149 C LEU A 12 -7.588 -9.445 2.881 1.00 0.00 C ATOM 150 O LEU A 12 -7.969 -9.246 1.729 1.00 0.00 O ATOM 151 CB LEU A 12 -5.123 -9.508 3.517 1.00 0.00 C ATOM 152 CG LEU A 12 -3.771 -8.775 3.650 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.492 -7.884 2.439 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.636 -7.909 4.908 1.00 0.00 C ATOM 0 H LEU A 12 -6.126 -8.545 5.514 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.232 -7.803 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.220 -10.190 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.086 -10.120 2.616 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.043 -9.584 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.532 -7.384 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.465 -8.495 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.280 -7.137 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.656 -7.432 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.412 -7.143 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.744 -8.535 5.794 1.00 0.00 H new ATOM 166 N SER A 13 -8.217 -10.295 3.700 1.00 0.00 N ATOM 167 CA SER A 13 -9.376 -11.097 3.284 1.00 0.00 C ATOM 168 C SER A 13 -10.592 -10.226 2.930 1.00 0.00 C ATOM 169 O SER A 13 -11.285 -10.500 1.948 1.00 0.00 O ATOM 170 CB SER A 13 -9.741 -12.085 4.395 1.00 0.00 C ATOM 171 OG SER A 13 -10.772 -12.967 3.978 1.00 0.00 O ATOM 0 H SER A 13 -7.938 -10.447 4.669 1.00 0.00 H new ATOM 0 HA SER A 13 -9.096 -11.639 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.859 -12.660 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.063 -11.538 5.281 1.00 0.00 H new ATOM 0 HG SER A 13 -10.985 -13.588 4.705 1.00 0.00 H new ATOM 177 N GLU A 14 -10.830 -9.139 3.673 1.00 0.00 N ATOM 178 CA GLU A 14 -11.897 -8.172 3.373 1.00 0.00 C ATOM 179 C GLU A 14 -11.638 -7.392 2.070 1.00 0.00 C ATOM 180 O GLU A 14 -12.528 -7.297 1.221 1.00 0.00 O ATOM 181 CB GLU A 14 -12.087 -7.228 4.575 1.00 0.00 C ATOM 182 CG GLU A 14 -13.270 -6.274 4.366 1.00 0.00 C ATOM 183 CD GLU A 14 -13.695 -5.589 5.680 1.00 0.00 C ATOM 184 OE1 GLU A 14 -12.863 -4.872 6.292 1.00 0.00 O ATOM 185 OE2 GLU A 14 -14.875 -5.730 6.094 1.00 0.00 O1- ATOM 0 H GLU A 14 -10.287 -8.903 4.503 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.821 -8.726 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.249 -7.817 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.176 -6.650 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.999 -5.515 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.115 -6.827 3.955 1.00 0.00 H new ATOM 192 N ILE A 15 -10.412 -6.891 1.874 1.00 0.00 N ATOM 193 CA ILE A 15 -9.986 -6.157 0.667 1.00 0.00 C ATOM 194 C ILE A 15 -9.954 -7.037 -0.601 1.00 0.00 C ATOM 195 O ILE A 15 -10.141 -6.539 -1.717 1.00 0.00 O ATOM 196 CB ILE A 15 -8.623 -5.469 0.951 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.757 -4.337 1.998 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.946 -4.907 -0.310 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.765 -3.229 1.676 1.00 0.00 C ATOM 0 H ILE A 15 -9.668 -6.985 2.565 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.732 -5.393 0.447 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.988 -6.262 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.034 -4.785 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.777 -3.879 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.999 -4.441 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.762 -5.717 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.596 -4.164 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.769 -2.495 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.484 -2.741 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.760 -3.661 1.574 1.00 0.00 H new ATOM 211 N GLU A 16 -9.761 -8.350 -0.461 1.00 0.00 N ATOM 212 CA GLU A 16 -9.850 -9.320 -1.562 1.00 0.00 C ATOM 213 C GLU A 16 -11.287 -9.806 -1.854 1.00 0.00 C ATOM 214 O GLU A 16 -11.565 -10.271 -2.964 1.00 0.00 O ATOM 215 CB GLU A 16 -8.922 -10.506 -1.258 1.00 0.00 C ATOM 216 CG GLU A 16 -7.441 -10.098 -1.366 1.00 0.00 C ATOM 217 CD GLU A 16 -6.517 -11.053 -0.585 1.00 0.00 C ATOM 218 OE1 GLU A 16 -5.509 -10.581 -0.018 1.00 0.00 O ATOM 219 OE2 GLU A 16 -6.738 -12.286 -0.564 1.00 0.00 O1- ATOM 0 H GLU A 16 -9.534 -8.780 0.436 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.532 -8.808 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.126 -10.883 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.129 -11.320 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.145 -10.085 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.317 -9.084 -0.987 1.00 0.00 H new ATOM 226 N GLY A 17 -12.208 -9.692 -0.890 1.00 0.00 N ATOM 227 CA GLY A 17 -13.610 -10.117 -1.017 1.00 0.00 C ATOM 228 C GLY A 17 -14.561 -9.073 -1.629 1.00 0.00 C ATOM 229 O GLY A 17 -15.560 -9.431 -2.259 1.00 0.00 O ATOM 0 H GLY A 17 -11.995 -9.292 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.645 -11.019 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.981 -10.387 -0.029 1.00 0.00 H new ATOM 233 N LEU A 18 -14.249 -7.784 -1.464 1.00 0.00 N ATOM 234 CA LEU A 18 -14.997 -6.633 -2.003 1.00 0.00 C ATOM 235 C LEU A 18 -14.825 -6.427 -3.530 1.00 0.00 C ATOM 236 O LEU A 18 -14.104 -7.176 -4.198 1.00 0.00 O ATOM 237 CB LEU A 18 -14.633 -5.396 -1.148 1.00 0.00 C ATOM 238 CG LEU A 18 -13.169 -4.926 -1.111 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.657 -4.407 -2.446 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.027 -3.786 -0.102 1.00 0.00 C ATOM 0 H LEU A 18 -13.431 -7.496 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.067 -6.823 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.239 -4.561 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.940 -5.602 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.582 -5.804 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.618 -4.094 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.724 -5.197 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.262 -3.557 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.990 -3.452 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.668 -2.956 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.322 -4.137 0.887 1.00 0.00 H new ATOM 252 N GLN A 19 -15.481 -5.400 -4.084 1.00 0.00 N ATOM 253 CA GLN A 19 -15.332 -4.944 -5.482 1.00 0.00 C ATOM 254 C GLN A 19 -14.909 -3.463 -5.576 1.00 0.00 C ATOM 255 O GLN A 19 -14.926 -2.738 -4.580 1.00 0.00 O ATOM 256 CB GLN A 19 -16.603 -5.274 -6.290 1.00 0.00 C ATOM 257 CG GLN A 19 -17.875 -4.539 -5.831 1.00 0.00 C ATOM 258 CD GLN A 19 -18.914 -5.519 -5.297 1.00 0.00 C ATOM 259 OE1 GLN A 19 -19.741 -6.060 -6.020 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.872 -5.823 -4.021 1.00 0.00 N ATOM 0 H GLN A 19 -16.154 -4.841 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.510 -5.496 -5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.421 -5.035 -7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.782 -6.348 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.621 -3.816 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.295 -3.978 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.186 -5.376 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.526 -6.506 -3.638 1.00 0.00 H new ATOM 269 N ASP A 20 -14.517 -2.986 -6.762 1.00 0.00 N ATOM 270 CA ASP A 20 -13.958 -1.636 -6.949 1.00 0.00 C ATOM 271 C ASP A 20 -14.902 -0.472 -6.559 1.00 0.00 C ATOM 272 O ASP A 20 -14.431 0.604 -6.185 1.00 0.00 O ATOM 273 CB ASP A 20 -13.426 -1.466 -8.388 1.00 0.00 C ATOM 274 CG ASP A 20 -14.455 -1.577 -9.529 1.00 0.00 C ATOM 275 OD1 ASP A 20 -14.083 -1.261 -10.686 1.00 0.00 O ATOM 276 OD2 ASP A 20 -15.625 -1.976 -9.310 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.577 -3.525 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.133 -1.566 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.945 -0.490 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.653 -2.216 -8.555 1.00 0.00 H new ATOM 281 N ASP A 21 -16.221 -0.693 -6.549 1.00 0.00 N ATOM 282 CA ASP A 21 -17.220 0.251 -6.024 1.00 0.00 C ATOM 283 C ASP A 21 -17.096 0.452 -4.495 1.00 0.00 C ATOM 284 O ASP A 21 -17.316 1.548 -3.976 1.00 0.00 O ATOM 285 CB ASP A 21 -18.615 -0.280 -6.393 1.00 0.00 C ATOM 286 CG ASP A 21 -19.757 0.713 -6.094 1.00 0.00 C ATOM 287 OD1 ASP A 21 -19.585 1.941 -6.283 1.00 0.00 O ATOM 288 OD2 ASP A 21 -20.866 0.252 -5.726 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.635 -1.551 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.051 1.230 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.630 -0.528 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.798 -1.205 -5.847 1.00 0.00 H new ATOM 293 N ASP A 22 -16.690 -0.593 -3.762 1.00 0.00 N ATOM 294 CA ASP A 22 -16.419 -0.540 -2.318 1.00 0.00 C ATOM 295 C ASP A 22 -15.097 0.181 -2.003 1.00 0.00 C ATOM 296 O ASP A 22 -15.001 0.888 -1.000 1.00 0.00 O ATOM 297 CB ASP A 22 -16.371 -1.962 -1.746 1.00 0.00 C ATOM 298 CG ASP A 22 -17.627 -2.803 -2.050 1.00 0.00 C ATOM 299 OD1 ASP A 22 -18.760 -2.303 -1.852 1.00 0.00 O ATOM 300 OD2 ASP A 22 -17.476 -3.983 -2.452 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.537 -1.518 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.227 0.026 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.497 -2.475 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.238 -1.904 -0.666 1.00 0.00 H new ATOM 305 N LEU A 23 -14.090 0.049 -2.879 1.00 0.00 N ATOM 306 CA LEU A 23 -12.843 0.818 -2.788 1.00 0.00 C ATOM 307 C LEU A 23 -13.113 2.313 -2.999 1.00 0.00 C ATOM 308 O LEU A 23 -12.687 3.130 -2.185 1.00 0.00 O ATOM 309 CB LEU A 23 -11.801 0.297 -3.799 1.00 0.00 C ATOM 310 CG LEU A 23 -11.357 -1.157 -3.556 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.462 -1.655 -4.685 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.564 -1.307 -2.255 1.00 0.00 C ATOM 0 H LEU A 23 -14.119 -0.594 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.433 0.686 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.216 0.375 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.924 0.943 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.275 -1.741 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.164 -2.684 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.007 -1.611 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.574 -1.026 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.272 -2.349 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.672 -0.683 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.183 -0.996 -1.414 1.00 0.00 H new ATOM 324 N ALA A 24 -13.882 2.683 -4.024 1.00 0.00 N ATOM 325 CA ALA A 24 -14.285 4.072 -4.269 1.00 0.00 C ATOM 326 C ALA A 24 -15.087 4.676 -3.097 1.00 0.00 C ATOM 327 O ALA A 24 -14.937 5.863 -2.804 1.00 0.00 O ATOM 328 CB ALA A 24 -15.065 4.125 -5.583 1.00 0.00 C ATOM 0 H ALA A 24 -14.246 2.025 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.390 4.689 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.373 5.151 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.431 3.772 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.947 3.489 -5.508 1.00 0.00 H new ATOM 334 N ALA A 25 -15.882 3.870 -2.383 1.00 0.00 N ATOM 335 CA ALA A 25 -16.652 4.301 -1.209 1.00 0.00 C ATOM 336 C ALA A 25 -15.794 4.662 0.028 1.00 0.00 C ATOM 337 O ALA A 25 -16.311 5.334 0.925 1.00 0.00 O ATOM 338 CB ALA A 25 -17.675 3.208 -0.876 1.00 0.00 C ATOM 0 H ALA A 25 -16.011 2.884 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.149 5.235 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.258 3.509 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.341 3.062 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.154 2.276 -0.659 1.00 0.00 H new ATOM 344 N LEU A 26 -14.518 4.250 0.095 1.00 0.00 N ATOM 345 CA LEU A 26 -13.614 4.553 1.226 1.00 0.00 C ATOM 346 C LEU A 26 -12.348 5.350 0.841 1.00 0.00 C ATOM 347 O LEU A 26 -11.846 6.120 1.663 1.00 0.00 O ATOM 348 CB LEU A 26 -13.341 3.266 2.038 1.00 0.00 C ATOM 349 CG LEU A 26 -12.254 2.320 1.488 1.00 0.00 C ATOM 350 CD1 LEU A 26 -10.906 2.558 2.177 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.618 0.856 1.729 1.00 0.00 C ATOM 0 H LEU A 26 -14.078 3.693 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.131 5.253 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.060 3.555 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.273 2.706 2.113 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.184 2.530 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.162 1.875 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.587 3.587 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.009 2.382 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.832 0.215 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.722 0.678 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.560 0.628 1.230 1.00 0.00 H new ATOM 363 N LEU A 27 -11.863 5.229 -0.401 1.00 0.00 N ATOM 364 CA LEU A 27 -10.811 6.087 -0.974 1.00 0.00 C ATOM 365 C LEU A 27 -11.348 7.485 -1.336 1.00 0.00 C ATOM 366 O LEU A 27 -10.634 8.481 -1.203 1.00 0.00 O ATOM 367 CB LEU A 27 -10.214 5.405 -2.225 1.00 0.00 C ATOM 368 CG LEU A 27 -9.054 4.431 -1.969 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.334 3.362 -0.920 1.00 0.00 C ATOM 370 CD2 LEU A 27 -8.652 3.709 -3.254 1.00 0.00 C ATOM 0 H LEU A 27 -12.196 4.518 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.035 6.221 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.011 4.864 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.867 6.181 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.255 5.069 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.458 2.723 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.559 3.839 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.186 2.759 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.829 3.026 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.503 3.146 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.337 4.440 -3.999 1.00 0.00 H new ATOM 382 N GLY A 28 -12.604 7.576 -1.785 1.00 0.00 N ATOM 383 CA GLY A 28 -13.304 8.837 -2.062 1.00 0.00 C ATOM 384 C GLY A 28 -12.600 9.697 -3.124 1.00 0.00 C ATOM 385 O GLY A 28 -12.248 9.203 -4.199 1.00 0.00 O ATOM 0 H GLY A 28 -13.178 6.754 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.318 8.617 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.389 9.409 -1.138 1.00 0.00 H new ATOM 389 N LYS A 29 -12.347 10.977 -2.816 1.00 0.00 N ATOM 390 CA LYS A 29 -11.608 11.918 -3.684 1.00 0.00 C ATOM 391 C LYS A 29 -10.153 11.501 -3.959 1.00 0.00 C ATOM 392 O LYS A 29 -9.550 11.960 -4.928 1.00 0.00 O ATOM 393 CB LYS A 29 -11.646 13.326 -3.061 1.00 0.00 C ATOM 394 CG LYS A 29 -13.056 13.925 -2.873 1.00 0.00 C ATOM 395 CD LYS A 29 -13.892 14.065 -4.157 1.00 0.00 C ATOM 396 CE LYS A 29 -13.210 14.939 -5.215 1.00 0.00 C ATOM 397 NZ LYS A 29 -14.079 15.142 -6.399 1.00 0.00 N1+ ATOM 0 H LYS A 29 -12.654 11.400 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.109 11.910 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.152 13.289 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.064 14.000 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.606 13.301 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.956 14.910 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.078 13.075 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.863 14.494 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.955 15.905 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.275 14.473 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.585 15.738 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.301 14.221 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.961 15.610 -6.106 1.00 0.00 H new ATOM 411 N GLU A 30 -9.596 10.618 -3.126 1.00 0.00 N ATOM 412 CA GLU A 30 -8.252 10.034 -3.282 1.00 0.00 C ATOM 413 C GLU A 30 -8.232 8.677 -4.009 1.00 0.00 C ATOM 414 O GLU A 30 -7.184 8.034 -4.095 1.00 0.00 O ATOM 415 CB GLU A 30 -7.530 9.973 -1.922 1.00 0.00 C ATOM 416 CG GLU A 30 -7.493 11.305 -1.148 1.00 0.00 C ATOM 417 CD GLU A 30 -7.114 12.538 -2.005 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.245 12.428 -2.901 1.00 0.00 O ATOM 419 OE2 GLU A 30 -7.680 13.634 -1.778 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.080 10.276 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.702 10.705 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.018 9.222 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.506 9.635 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.472 11.477 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.779 11.215 -0.329 1.00 0.00 H new ATOM 426 N PHE A 31 -9.367 8.242 -4.576 1.00 0.00 N ATOM 427 CA PHE A 31 -9.422 7.120 -5.516 1.00 0.00 C ATOM 428 C PHE A 31 -8.571 7.407 -6.768 1.00 0.00 C ATOM 429 O PHE A 31 -8.412 8.565 -7.172 1.00 0.00 O ATOM 430 CB PHE A 31 -10.891 6.815 -5.854 1.00 0.00 C ATOM 431 CG PHE A 31 -11.109 5.598 -6.733 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.152 5.728 -8.132 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.285 4.326 -6.145 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.373 4.601 -8.944 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.540 3.203 -6.955 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.586 3.342 -8.354 1.00 0.00 C ATOM 0 H PHE A 31 -10.277 8.664 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.991 6.231 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.440 6.675 -4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.322 7.685 -6.350 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.015 6.698 -8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.224 4.215 -5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.379 4.702 -10.019 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.700 2.236 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.785 2.481 -8.976 1.00 0.00 H new ATOM 446 N ILE A 32 -8.005 6.360 -7.376 1.00 0.00 N ATOM 447 CA ILE A 32 -7.039 6.493 -8.477 1.00 0.00 C ATOM 448 C ILE A 32 -7.637 7.218 -9.696 1.00 0.00 C ATOM 449 O ILE A 32 -8.806 7.030 -10.042 1.00 0.00 O ATOM 450 CB ILE A 32 -6.436 5.112 -8.839 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.005 5.211 -9.416 1.00 0.00 C ATOM 452 CG2 ILE A 32 -7.316 4.358 -9.846 1.00 0.00 C ATOM 453 CD1 ILE A 32 -3.957 5.651 -8.387 1.00 0.00 C ATOM 0 H ILE A 32 -8.203 5.393 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.223 7.128 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.393 4.563 -7.898 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.718 4.241 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.005 5.917 -10.247 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.862 3.394 -10.076 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.306 4.200 -9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.406 4.944 -10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.977 5.698 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.219 6.635 -7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.928 4.933 -7.567 1.00 0.00 H new ATOM 722 N TRP A 56 6.314 -13.379 8.429 1.00 0.00 N ATOM 723 CA TRP A 56 5.565 -12.122 8.558 1.00 0.00 C ATOM 724 C TRP A 56 5.984 -11.077 7.509 1.00 0.00 C ATOM 725 O TRP A 56 5.153 -10.266 7.093 1.00 0.00 O ATOM 726 CB TRP A 56 5.744 -11.554 9.977 1.00 0.00 C ATOM 727 CG TRP A 56 7.119 -11.056 10.334 1.00 0.00 C ATOM 728 CD1 TRP A 56 8.044 -11.750 11.033 1.00 0.00 C ATOM 729 CD2 TRP A 56 7.760 -9.782 9.991 1.00 0.00 C ATOM 730 NE1 TRP A 56 9.212 -11.014 11.124 1.00 0.00 N ATOM 731 CE2 TRP A 56 9.098 -9.801 10.487 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.357 -8.619 9.296 1.00 0.00 C ATOM 733 CZ2 TRP A 56 9.993 -8.739 10.282 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.242 -7.543 9.088 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.558 -7.608 9.571 1.00 0.00 C ATOM 0 HA TRP A 56 4.514 -12.347 8.379 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.040 -10.732 10.107 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.466 -12.328 10.692 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.894 -12.732 11.457 1.00 0.00 H new ATOM 0 HE1 TRP A 56 10.054 -11.332 11.604 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.348 -8.554 8.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 11.001 -8.791 10.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.907 -6.665 8.555 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.238 -6.787 9.396 1.00 0.00 H new ATOM 746 N LYS A 57 7.248 -11.109 7.068 1.00 0.00 N ATOM 747 CA LYS A 57 7.820 -10.238 6.034 1.00 0.00 C ATOM 748 C LYS A 57 7.556 -10.796 4.632 1.00 0.00 C ATOM 749 O LYS A 57 7.040 -10.091 3.766 1.00 0.00 O ATOM 750 CB LYS A 57 9.321 -10.080 6.332 1.00 0.00 C ATOM 751 CG LYS A 57 10.053 -9.183 5.327 1.00 0.00 C ATOM 752 CD LYS A 57 11.534 -8.994 5.677 1.00 0.00 C ATOM 753 CE LYS A 57 11.701 -8.151 6.950 1.00 0.00 C ATOM 754 NZ LYS A 57 13.130 -7.883 7.241 1.00 0.00 N1+ ATOM 0 H LYS A 57 7.929 -11.772 7.438 1.00 0.00 H new ATOM 0 HA LYS A 57 7.345 -9.257 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.443 -9.666 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.788 -11.065 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.971 -9.617 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.564 -8.209 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.004 -9.967 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.048 -8.509 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.169 -7.207 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.248 -8.671 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.206 -7.083 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.562 -8.727 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.626 -7.650 6.357 1.00 0.00 H new ATOM 768 N ASP A 58 7.900 -12.066 4.421 1.00 0.00 N ATOM 769 CA ASP A 58 7.901 -12.741 3.118 1.00 0.00 C ATOM 770 C ASP A 58 6.491 -12.861 2.509 1.00 0.00 C ATOM 771 O ASP A 58 6.255 -12.409 1.387 1.00 0.00 O ATOM 772 CB ASP A 58 8.551 -14.122 3.294 1.00 0.00 C ATOM 773 CG ASP A 58 8.710 -14.902 1.979 1.00 0.00 C ATOM 774 OD1 ASP A 58 8.902 -14.286 0.904 1.00 0.00 O ATOM 775 OD2 ASP A 58 8.664 -16.156 2.020 1.00 0.00 O1- ATOM 0 H ASP A 58 8.197 -12.679 5.180 1.00 0.00 H new ATOM 0 HA ASP A 58 8.474 -12.140 2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.532 -13.996 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.949 -14.712 3.985 1.00 0.00 H new ATOM 780 N ASP A 59 5.536 -13.424 3.258 1.00 0.00 N ATOM 781 CA ASP A 59 4.155 -13.619 2.792 1.00 0.00 C ATOM 782 C ASP A 59 3.444 -12.288 2.536 1.00 0.00 C ATOM 783 O ASP A 59 2.823 -12.102 1.489 1.00 0.00 O ATOM 784 CB ASP A 59 3.400 -14.478 3.825 1.00 0.00 C ATOM 785 CG ASP A 59 1.954 -14.767 3.399 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.099 -13.861 3.506 1.00 0.00 O ATOM 787 OD2 ASP A 59 1.661 -15.913 2.980 1.00 0.00 O1- ATOM 0 H ASP A 59 5.698 -13.759 4.208 1.00 0.00 H new ATOM 0 HA ASP A 59 4.173 -14.139 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.930 -15.420 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.397 -13.966 4.787 1.00 0.00 H new ATOM 792 N TYR A 60 3.587 -11.339 3.468 1.00 0.00 N ATOM 793 CA TYR A 60 2.953 -10.023 3.374 1.00 0.00 C ATOM 794 C TYR A 60 3.439 -9.243 2.142 1.00 0.00 C ATOM 795 O TYR A 60 2.629 -8.856 1.293 1.00 0.00 O ATOM 796 CB TYR A 60 3.202 -9.252 4.678 1.00 0.00 C ATOM 797 CG TYR A 60 2.550 -7.882 4.724 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.325 -6.724 4.519 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.170 -7.772 4.979 1.00 0.00 C ATOM 800 CE1 TYR A 60 2.718 -5.456 4.577 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.555 -6.503 5.028 1.00 0.00 C ATOM 802 CZ TYR A 60 1.333 -5.345 4.823 1.00 0.00 C ATOM 803 OH TYR A 60 0.749 -4.120 4.868 1.00 0.00 O ATOM 0 H TYR A 60 4.148 -11.464 4.311 1.00 0.00 H new ATOM 0 HA TYR A 60 1.879 -10.153 3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.833 -9.846 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.277 -9.136 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.383 -6.809 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.580 -8.662 5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.313 -4.566 4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.504 -6.419 5.221 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.224 -4.219 4.810 1.00 0.00 H new ATOM 813 N LEU A 61 4.759 -9.076 1.983 1.00 0.00 N ATOM 814 CA LEU A 61 5.335 -8.361 0.840 1.00 0.00 C ATOM 815 C LEU A 61 5.007 -9.043 -0.498 1.00 0.00 C ATOM 816 O LEU A 61 4.714 -8.363 -1.483 1.00 0.00 O ATOM 817 CB LEU A 61 6.856 -8.217 1.024 1.00 0.00 C ATOM 818 CG LEU A 61 7.558 -7.421 -0.093 1.00 0.00 C ATOM 819 CD1 LEU A 61 7.047 -5.984 -0.209 1.00 0.00 C ATOM 820 CD2 LEU A 61 9.058 -7.370 0.180 1.00 0.00 C ATOM 0 H LEU A 61 5.453 -9.431 2.640 1.00 0.00 H new ATOM 0 HA LEU A 61 4.883 -7.370 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.050 -7.728 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.299 -9.211 1.079 1.00 0.00 H new ATOM 0 HG LEU A 61 7.339 -7.936 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.578 -5.473 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.979 -5.994 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.219 -5.460 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.553 -6.807 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.237 -6.883 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.457 -8.384 0.208 1.00 0.00 H new ATOM 832 N SER A 62 5.013 -10.379 -0.526 1.00 0.00 N ATOM 833 CA SER A 62 4.607 -11.163 -1.695 1.00 0.00 C ATOM 834 C SER A 62 3.167 -10.834 -2.112 1.00 0.00 C ATOM 835 O SER A 62 2.948 -10.348 -3.224 1.00 0.00 O ATOM 836 CB SER A 62 4.785 -12.656 -1.409 1.00 0.00 C ATOM 837 OG SER A 62 4.280 -13.446 -2.472 1.00 0.00 O ATOM 0 H SER A 62 5.302 -10.950 0.268 1.00 0.00 H new ATOM 0 HA SER A 62 5.249 -10.897 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.842 -12.877 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.271 -12.915 -0.484 1.00 0.00 H new ATOM 0 HG SER A 62 4.408 -14.395 -2.264 1.00 0.00 H new ATOM 843 N ARG A 63 2.184 -11.016 -1.219 1.00 0.00 N ATOM 844 CA ARG A 63 0.754 -10.829 -1.533 1.00 0.00 C ATOM 845 C ARG A 63 0.390 -9.380 -1.870 1.00 0.00 C ATOM 846 O ARG A 63 -0.387 -9.164 -2.798 1.00 0.00 O ATOM 847 CB ARG A 63 -0.115 -11.379 -0.396 1.00 0.00 C ATOM 848 CG ARG A 63 0.036 -12.906 -0.286 1.00 0.00 C ATOM 849 CD ARG A 63 -0.824 -13.515 0.826 1.00 0.00 C ATOM 850 NE ARG A 63 -2.157 -13.914 0.337 1.00 0.00 N ATOM 851 CZ ARG A 63 -3.262 -13.199 0.322 1.00 0.00 C ATOM 852 NH1 ARG A 63 -3.329 -11.994 0.809 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -4.348 -13.686 -0.202 1.00 0.00 N ATOM 0 H ARG A 63 2.356 -11.298 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 63 0.551 -11.398 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.171 -10.911 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.160 -11.124 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.235 -13.362 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.083 -13.150 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.315 -14.384 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.936 -12.793 1.635 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.232 -14.861 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.502 -11.565 1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.208 -11.478 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.345 -14.624 -0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.203 -13.130 -0.212 1.00 0.00 H new ATOM 867 N LEU A 64 0.999 -8.390 -1.211 1.00 0.00 N ATOM 868 CA LEU A 64 0.825 -6.968 -1.552 1.00 0.00 C ATOM 869 C LEU A 64 1.195 -6.661 -3.023 1.00 0.00 C ATOM 870 O LEU A 64 0.566 -5.801 -3.638 1.00 0.00 O ATOM 871 CB LEU A 64 1.654 -6.110 -0.583 1.00 0.00 C ATOM 872 CG LEU A 64 0.835 -5.505 0.570 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.309 -6.525 1.563 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.676 -4.468 1.312 1.00 0.00 C ATOM 0 H LEU A 64 1.628 -8.548 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.232 -6.722 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.454 -6.721 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.128 -5.303 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.039 -5.046 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.257 -6.015 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.340 -7.233 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.145 -7.060 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.092 -4.042 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.569 -4.945 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.968 -3.676 0.623 1.00 0.00 H new ATOM 886 N SER A 65 2.159 -7.384 -3.610 1.00 0.00 N ATOM 887 CA SER A 65 2.538 -7.223 -5.025 1.00 0.00 C ATOM 888 C SER A 65 1.476 -7.759 -6.009 1.00 0.00 C ATOM 889 O SER A 65 1.374 -7.271 -7.144 1.00 0.00 O ATOM 890 CB SER A 65 3.915 -7.874 -5.260 1.00 0.00 C ATOM 891 OG SER A 65 4.420 -7.571 -6.546 1.00 0.00 O ATOM 0 H SER A 65 2.699 -8.097 -3.120 1.00 0.00 H new ATOM 0 HA SER A 65 2.601 -6.155 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.617 -7.527 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.832 -8.955 -5.146 1.00 0.00 H new ATOM 0 HG SER A 65 5.295 -7.997 -6.663 1.00 0.00 H new ATOM 897 N ARG A 66 0.631 -8.714 -5.587 1.00 0.00 N ATOM 898 CA ARG A 66 -0.465 -9.291 -6.398 1.00 0.00 C ATOM 899 C ARG A 66 -1.730 -8.420 -6.386 1.00 0.00 C ATOM 900 O ARG A 66 -2.467 -8.407 -7.375 1.00 0.00 O ATOM 901 CB ARG A 66 -0.809 -10.723 -5.921 1.00 0.00 C ATOM 902 CG ARG A 66 0.209 -11.824 -6.281 1.00 0.00 C ATOM 903 CD ARG A 66 1.523 -11.733 -5.505 1.00 0.00 C ATOM 904 NE ARG A 66 2.433 -12.865 -5.771 1.00 0.00 N ATOM 905 CZ ARG A 66 3.752 -12.836 -5.643 1.00 0.00 C ATOM 906 NH1 ARG A 66 4.377 -11.783 -5.210 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 4.470 -13.880 -5.934 1.00 0.00 N ATOM 0 H ARG A 66 0.688 -9.118 -4.652 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.102 -9.329 -7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.925 -10.705 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.776 -11.001 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.244 -12.798 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.425 -11.770 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.027 -10.801 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.306 -11.693 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 66 2.012 -13.742 -6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.852 -10.946 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.393 -11.793 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.019 -14.733 -6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.484 -13.846 -5.832 1.00 0.00 H new ATOM 921 N LEU A 67 -1.988 -7.688 -5.297 1.00 0.00 N ATOM 922 CA LEU A 67 -3.129 -6.772 -5.152 1.00 0.00 C ATOM 923 C LEU A 67 -3.006 -5.514 -6.037 1.00 0.00 C ATOM 924 O LEU A 67 -1.911 -5.103 -6.422 1.00 0.00 O ATOM 925 CB LEU A 67 -3.308 -6.416 -3.657 1.00 0.00 C ATOM 926 CG LEU A 67 -4.284 -7.339 -2.901 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.866 -8.811 -2.885 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.413 -6.882 -1.451 1.00 0.00 C ATOM 0 H LEU A 67 -1.394 -7.716 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.024 -7.283 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.335 -6.455 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.663 -5.388 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.228 -7.266 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.605 -9.393 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.801 -9.182 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.894 -8.908 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.104 -7.539 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.436 -6.920 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.791 -5.860 -1.424 1.00 0.00 H new ATOM 940 N SER A 68 -4.141 -4.888 -6.350 1.00 0.00 N ATOM 941 CA SER A 68 -4.219 -3.609 -7.071 1.00 0.00 C ATOM 942 C SER A 68 -3.700 -2.424 -6.232 1.00 0.00 C ATOM 943 O SER A 68 -3.694 -2.495 -5.002 1.00 0.00 O ATOM 944 CB SER A 68 -5.665 -3.360 -7.496 1.00 0.00 C ATOM 945 OG SER A 68 -5.763 -2.194 -8.286 1.00 0.00 O ATOM 0 H SER A 68 -5.057 -5.263 -6.104 1.00 0.00 H new ATOM 0 HA SER A 68 -3.574 -3.680 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.036 -4.217 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.296 -3.260 -6.613 1.00 0.00 H new ATOM 0 HG SER A 68 -6.697 -2.054 -8.549 1.00 0.00 H new ATOM 951 N LYS A 69 -3.338 -1.295 -6.866 1.00 0.00 N ATOM 952 CA LYS A 69 -2.969 -0.051 -6.164 1.00 0.00 C ATOM 953 C LYS A 69 -4.116 0.489 -5.295 1.00 0.00 C ATOM 954 O LYS A 69 -3.884 0.952 -4.181 1.00 0.00 O ATOM 955 CB LYS A 69 -2.472 0.993 -7.178 1.00 0.00 C ATOM 956 CG LYS A 69 -1.799 2.173 -6.458 1.00 0.00 C ATOM 957 CD LYS A 69 -1.208 3.193 -7.434 1.00 0.00 C ATOM 958 CE LYS A 69 -0.352 4.229 -6.693 1.00 0.00 C ATOM 959 NZ LYS A 69 -1.122 5.164 -5.826 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.293 -1.218 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.155 -0.277 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.765 0.530 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.309 1.355 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.529 2.668 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.009 1.796 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.600 2.679 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.012 3.697 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.380 3.704 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.206 4.811 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.465 5.702 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.665 5.822 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.775 4.622 -5.225 1.00 0.00 H new ATOM 973 N ASN A 70 -5.356 0.368 -5.759 1.00 0.00 N ATOM 974 CA ASN A 70 -6.552 0.750 -5.001 1.00 0.00 C ATOM 975 C ASN A 70 -6.735 -0.126 -3.746 1.00 0.00 C ATOM 976 O ASN A 70 -7.031 0.377 -2.663 1.00 0.00 O ATOM 977 CB ASN A 70 -7.781 0.682 -5.926 1.00 0.00 C ATOM 978 CG ASN A 70 -7.666 1.560 -7.163 1.00 0.00 C ATOM 979 OD1 ASN A 70 -6.879 1.321 -8.065 1.00 0.00 O ATOM 980 ND2 ASN A 70 -8.455 2.600 -7.258 1.00 0.00 N ATOM 0 H ASN A 70 -5.566 -0.003 -6.686 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.433 1.773 -4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.933 -0.351 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.666 0.978 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.409 3.202 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.116 2.809 -6.510 1.00 0.00 H new ATOM 987 N GLN A 71 -6.486 -1.435 -3.879 1.00 0.00 N ATOM 988 CA GLN A 71 -6.485 -2.389 -2.759 1.00 0.00 C ATOM 989 C GLN A 71 -5.333 -2.128 -1.772 1.00 0.00 C ATOM 990 O GLN A 71 -5.548 -2.165 -0.564 1.00 0.00 O ATOM 991 CB GLN A 71 -6.416 -3.822 -3.309 1.00 0.00 C ATOM 992 CG GLN A 71 -7.712 -4.266 -4.002 1.00 0.00 C ATOM 993 CD GLN A 71 -7.588 -5.674 -4.568 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.733 -5.956 -5.396 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.405 -6.614 -4.140 1.00 0.00 N ATOM 0 H GLN A 71 -6.277 -1.868 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.411 -2.255 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.590 -3.893 -4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.195 -4.508 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.537 -4.230 -3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.953 -3.570 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.122 -6.391 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.321 -7.565 -4.499 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.135 -1.797 -2.266 1.00 0.00 N ATOM 1005 CA LEU A 72 -2.983 -1.373 -1.455 1.00 0.00 C ATOM 1006 C LEU A 72 -3.294 -0.124 -0.620 1.00 0.00 C ATOM 1007 O LEU A 72 -3.009 -0.112 0.576 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.767 -1.129 -2.362 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.008 -2.416 -2.724 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.201 -2.204 -3.998 1.00 0.00 C ATOM 1011 CD2 LEU A 72 -0.021 -2.768 -1.606 1.00 0.00 C ATOM 0 H LEU A 72 -3.932 -1.816 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.755 -2.176 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.099 -0.641 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.084 -0.441 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.736 -3.215 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.333 -3.121 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.873 -1.943 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.515 -1.397 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.514 -3.681 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.692 -1.953 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.566 -2.921 -0.674 1.00 0.00 H new ATOM 1023 N MET A 73 -3.924 0.900 -1.206 1.00 0.00 N ATOM 1024 CA MET A 73 -4.366 2.082 -0.450 1.00 0.00 C ATOM 1025 C MET A 73 -5.416 1.737 0.614 1.00 0.00 C ATOM 1026 O MET A 73 -5.346 2.244 1.735 1.00 0.00 O ATOM 1027 CB MET A 73 -4.893 3.166 -1.403 1.00 0.00 C ATOM 1028 CG MET A 73 -3.741 3.782 -2.213 1.00 0.00 C ATOM 1029 SD MET A 73 -4.168 5.301 -3.105 1.00 0.00 S ATOM 1030 CE MET A 73 -5.028 4.635 -4.553 1.00 0.00 C ATOM 0 H MET A 73 -4.140 0.936 -2.202 1.00 0.00 H new ATOM 0 HA MET A 73 -3.495 2.469 0.078 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.631 2.735 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.400 3.944 -0.832 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.913 3.995 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.385 3.043 -2.931 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.350 5.455 -5.194 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.354 3.983 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.899 4.065 -4.229 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.361 0.851 0.303 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.417 0.453 1.230 1.00 0.00 C ATOM 1042 C ALA A 74 -6.913 -0.423 2.399 1.00 0.00 C ATOM 1043 O ALA A 74 -7.247 -0.146 3.554 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.527 -0.220 0.426 1.00 0.00 C ATOM 0 H ALA A 74 -6.415 0.387 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.808 1.344 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.328 -0.527 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.919 0.481 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.127 -1.096 -0.085 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.071 -1.441 2.144 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.485 -2.276 3.203 1.00 0.00 C ATOM 1052 C LEU A 75 -4.558 -1.444 4.104 1.00 0.00 C ATOM 1053 O LEU A 75 -4.578 -1.616 5.323 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.821 -3.539 2.610 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.416 -3.385 1.991 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.300 -3.632 3.008 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.199 -4.379 0.849 1.00 0.00 C ATOM 0 H LEU A 75 -5.780 -1.705 1.203 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.280 -2.642 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.760 -4.288 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.484 -3.938 1.842 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.372 -2.357 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.332 -3.511 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.388 -2.916 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.384 -4.645 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.200 -4.245 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.301 -5.396 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.941 -4.206 0.070 1.00 0.00 H new ATOM 1069 N ALA A 76 -3.799 -0.503 3.527 1.00 0.00 N ATOM 1070 CA ALA A 76 -2.938 0.417 4.267 1.00 0.00 C ATOM 1071 C ALA A 76 -3.731 1.352 5.194 1.00 0.00 C ATOM 1072 O ALA A 76 -3.290 1.619 6.313 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.088 1.208 3.271 1.00 0.00 C ATOM 0 H ALA A 76 -3.768 -0.361 2.517 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.290 -0.167 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.441 1.898 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.477 0.520 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.740 1.770 2.602 1.00 0.00 H new ATOM 1079 N LEU A 77 -4.916 1.813 4.778 1.00 0.00 N ATOM 1080 CA LEU A 77 -5.821 2.608 5.615 1.00 0.00 C ATOM 1081 C LEU A 77 -6.382 1.775 6.780 1.00 0.00 C ATOM 1082 O LEU A 77 -6.331 2.205 7.934 1.00 0.00 O ATOM 1083 CB LEU A 77 -6.934 3.202 4.723 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.680 4.457 5.230 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.483 4.238 6.517 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -6.719 5.632 5.436 1.00 0.00 C ATOM 0 H LEU A 77 -5.277 1.642 3.840 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.271 3.430 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.493 3.444 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.674 2.421 4.549 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.396 4.686 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.974 5.168 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.235 3.467 6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.811 3.923 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.275 6.499 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.962 5.359 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.235 5.876 4.491 1.00 0.00 H new ATOM 1098 N LYS A 78 -6.834 0.539 6.517 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.370 -0.376 7.547 1.00 0.00 C ATOM 1100 C LYS A 78 -6.335 -0.713 8.629 1.00 0.00 C ATOM 1101 O LYS A 78 -6.641 -0.620 9.819 1.00 0.00 O ATOM 1102 CB LYS A 78 -7.932 -1.650 6.899 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.260 -1.368 6.180 1.00 0.00 C ATOM 1104 CD LYS A 78 -9.789 -2.618 5.462 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.115 -2.324 4.743 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.260 -2.229 5.685 1.00 0.00 N1+ ATOM 0 H LYS A 78 -6.840 0.140 5.578 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.184 0.146 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.208 -2.049 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.084 -2.413 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.999 -1.022 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.120 -0.564 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.050 -2.967 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.934 -3.422 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.025 -1.390 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.312 -3.110 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.115 -1.947 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.418 -3.154 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.050 -1.520 6.416 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.095 -1.027 8.243 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.014 -1.278 9.208 1.00 0.00 C ATOM 1122 C LEU A 79 -3.511 -0.002 9.910 1.00 0.00 C ATOM 1123 O LEU A 79 -2.995 -0.108 11.025 1.00 0.00 O ATOM 1124 CB LEU A 79 -2.892 -2.133 8.576 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.051 -1.464 7.476 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -0.881 -0.632 8.009 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.460 -2.534 6.563 1.00 0.00 C ATOM 0 H LEU A 79 -4.812 -1.114 7.267 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.436 -1.871 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.219 -2.453 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.344 -3.033 8.159 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.733 -0.795 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.336 -0.193 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.262 0.162 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.211 -1.272 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.864 -2.059 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.827 -3.202 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.266 -3.107 6.105 1.00 0.00 H new ATOM 1139 N LYS A 80 -3.701 1.196 9.327 1.00 0.00 N ATOM 1140 CA LYS A 80 -3.450 2.493 9.986 1.00 0.00 C ATOM 1141 C LYS A 80 -4.523 2.848 11.025 1.00 0.00 C ATOM 1142 O LYS A 80 -4.220 3.459 12.051 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.309 3.589 8.910 1.00 0.00 C ATOM 1144 CG LYS A 80 -2.855 4.971 9.411 1.00 0.00 C ATOM 1145 CD LYS A 80 -1.431 4.937 9.970 1.00 0.00 C ATOM 1146 CE LYS A 80 -0.941 6.353 10.298 1.00 0.00 C ATOM 1147 NZ LYS A 80 0.445 6.319 10.844 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.039 1.292 8.369 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.518 2.417 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.597 3.245 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.270 3.704 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.906 5.689 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.540 5.320 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.403 4.320 10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.762 4.475 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.968 6.969 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.611 6.816 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.757 7.287 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.462 5.749 11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.085 5.897 10.141 1.00 0.00 H new ATOM 1161 N GLN A 81 -5.765 2.426 10.790 1.00 0.00 N ATOM 1162 CA GLN A 81 -6.906 2.689 11.673 1.00 0.00 C ATOM 1163 C GLN A 81 -6.882 1.827 12.955 1.00 0.00 C ATOM 1164 O GLN A 81 -7.318 2.286 14.011 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.187 2.478 10.846 1.00 0.00 C ATOM 1166 CG GLN A 81 -9.475 2.840 11.602 1.00 0.00 C ATOM 1167 CD GLN A 81 -10.752 2.734 10.762 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -11.815 2.374 11.252 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -10.730 3.031 9.479 1.00 0.00 N ATOM 0 H GLN A 81 -6.013 1.881 9.965 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.861 3.716 12.037 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.127 3.080 9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.240 1.435 10.534 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.569 2.186 12.469 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.386 3.859 11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.860 3.334 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.583 2.958 8.924 1.00 0.00 H new ATOM 1178 N GLN A 82 -6.353 0.599 12.881 1.00 0.00 N ATOM 1179 CA GLN A 82 -6.199 -0.288 14.047 1.00 0.00 C ATOM 1180 C GLN A 82 -4.907 -0.040 14.847 1.00 0.00 C ATOM 1181 O GLN A 82 -4.915 -0.194 16.068 1.00 0.00 O ATOM 1182 CB GLN A 82 -6.362 -1.756 13.610 1.00 0.00 C ATOM 1183 CG GLN A 82 -5.238 -2.289 12.712 1.00 0.00 C ATOM 1184 CD GLN A 82 -3.969 -2.712 13.457 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -3.991 -3.223 14.570 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -2.808 -2.510 12.876 1.00 0.00 N ATOM 0 H GLN A 82 -6.018 0.189 12.009 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.996 -0.047 14.751 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.423 -2.381 14.501 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.310 -1.860 13.082 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.615 -3.144 12.150 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.977 -1.520 11.985 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.768 -2.086 11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.946 -2.777 13.352 1.00 0.00 H new ATOM 1403 N GLU B 111 8.458 7.848 7.895 1.00 0.00 N ATOM 1404 CA GLU B 111 8.675 6.802 6.890 1.00 0.00 C ATOM 1405 C GLU B 111 8.092 7.191 5.523 1.00 0.00 C ATOM 1406 O GLU B 111 8.693 6.891 4.495 1.00 0.00 O ATOM 1407 CB GLU B 111 8.052 5.464 7.351 1.00 0.00 C ATOM 1408 CG GLU B 111 8.760 4.794 8.546 1.00 0.00 C ATOM 1409 CD GLU B 111 8.629 5.541 9.892 1.00 0.00 C ATOM 1410 OE1 GLU B 111 9.531 5.386 10.750 1.00 0.00 O ATOM 1411 OE2 GLU B 111 7.634 6.276 10.114 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.753 6.685 6.782 1.00 0.00 H new ATOM 0 HB2 GLU B 111 7.009 5.638 7.617 1.00 0.00 H new ATOM 0 HB3 GLU B 111 8.055 4.770 6.510 1.00 0.00 H new ATOM 0 HG2 GLU B 111 8.360 3.787 8.667 1.00 0.00 H new ATOM 0 HG3 GLU B 111 9.819 4.690 8.308 1.00 0.00 H new ATOM 1418 N LEU B 112 6.967 7.917 5.488 1.00 0.00 N ATOM 1419 CA LEU B 112 6.352 8.433 4.261 1.00 0.00 C ATOM 1420 C LEU B 112 7.303 9.392 3.519 1.00 0.00 C ATOM 1421 O LEU B 112 7.503 9.257 2.312 1.00 0.00 O ATOM 1422 CB LEU B 112 5.027 9.154 4.605 1.00 0.00 C ATOM 1423 CG LEU B 112 3.810 8.302 5.014 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.388 7.347 3.909 1.00 0.00 C ATOM 1425 CD2 LEU B 112 3.999 7.496 6.299 1.00 0.00 C ATOM 0 H LEU B 112 6.449 8.167 6.331 1.00 0.00 H new ATOM 0 HA LEU B 112 6.146 7.591 3.600 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.231 9.852 5.417 1.00 0.00 H new ATOM 0 HB3 LEU B 112 4.739 9.749 3.738 1.00 0.00 H new ATOM 0 HG LEU B 112 3.030 9.041 5.200 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.527 6.766 4.239 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.122 7.916 3.018 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.213 6.673 3.676 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.093 6.928 6.509 1.00 0.00 H new ATOM 0 HD22 LEU B 112 4.838 6.810 6.178 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.202 8.175 7.128 1.00 0.00 H new ATOM 1437 N SER B 113 7.935 10.326 4.237 1.00 0.00 N ATOM 1438 CA SER B 113 8.906 11.280 3.675 1.00 0.00 C ATOM 1439 C SER B 113 10.246 10.634 3.311 1.00 0.00 C ATOM 1440 O SER B 113 10.876 11.040 2.333 1.00 0.00 O ATOM 1441 CB SER B 113 9.106 12.446 4.641 1.00 0.00 C ATOM 1442 OG SER B 113 7.873 13.141 4.813 1.00 0.00 O ATOM 0 H SER B 113 7.787 10.445 5.239 1.00 0.00 H new ATOM 0 HA SER B 113 8.488 11.649 2.739 1.00 0.00 H new ATOM 0 HB2 SER B 113 9.465 12.078 5.602 1.00 0.00 H new ATOM 0 HB3 SER B 113 9.867 13.125 4.255 1.00 0.00 H new ATOM 0 HG SER B 113 8.002 13.888 5.434 1.00 0.00 H new ATOM 1448 N GLU B 114 10.663 9.576 4.014 1.00 0.00 N ATOM 1449 CA GLU B 114 11.816 8.748 3.619 1.00 0.00 C ATOM 1450 C GLU B 114 11.570 8.005 2.291 1.00 0.00 C ATOM 1451 O GLU B 114 12.408 8.046 1.391 1.00 0.00 O ATOM 1452 CB GLU B 114 12.169 7.789 4.767 1.00 0.00 C ATOM 1453 CG GLU B 114 13.324 6.836 4.419 1.00 0.00 C ATOM 1454 CD GLU B 114 13.865 6.117 5.669 1.00 0.00 C ATOM 1455 OE1 GLU B 114 14.408 6.787 6.584 1.00 0.00 O ATOM 1456 OE2 GLU B 114 13.766 4.865 5.741 1.00 0.00 O1- ATOM 0 H GLU B 114 10.212 9.266 4.875 1.00 0.00 H new ATOM 0 HA GLU B 114 12.670 9.400 3.435 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.438 8.370 5.649 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.288 7.203 5.028 1.00 0.00 H new ATOM 0 HG2 GLU B 114 12.981 6.098 3.694 1.00 0.00 H new ATOM 0 HG3 GLU B 114 14.129 7.398 3.945 1.00 0.00 H new ATOM 1463 N ILE B 115 10.392 7.391 2.128 1.00 0.00 N ATOM 1464 CA ILE B 115 9.954 6.694 0.908 1.00 0.00 C ATOM 1465 C ILE B 115 9.795 7.641 -0.295 1.00 0.00 C ATOM 1466 O ILE B 115 10.037 7.226 -1.430 1.00 0.00 O ATOM 1467 CB ILE B 115 8.669 5.883 1.216 1.00 0.00 C ATOM 1468 CG1 ILE B 115 8.964 4.662 2.124 1.00 0.00 C ATOM 1469 CG2 ILE B 115 7.927 5.402 -0.042 1.00 0.00 C ATOM 1470 CD1 ILE B 115 9.981 3.649 1.584 1.00 0.00 C ATOM 0 H ILE B 115 9.690 7.364 2.868 1.00 0.00 H new ATOM 0 HA ILE B 115 10.735 5.997 0.605 1.00 0.00 H new ATOM 0 HB ILE B 115 8.018 6.584 1.739 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.323 5.029 3.086 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.026 4.140 2.312 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.039 4.842 0.251 1.00 0.00 H new ATOM 0 HG22 ILE B 115 7.632 6.263 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE B 115 8.584 4.759 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.106 2.840 2.304 1.00 0.00 H new ATOM 0 HD12 ILE B 115 9.622 3.242 0.639 1.00 0.00 H new ATOM 0 HD13 ILE B 115 10.939 4.144 1.425 1.00 0.00 H new ATOM 1482 N GLU B 116 9.438 8.915 -0.085 1.00 0.00 N ATOM 1483 CA GLU B 116 9.489 9.947 -1.140 1.00 0.00 C ATOM 1484 C GLU B 116 10.913 10.426 -1.477 1.00 0.00 C ATOM 1485 O GLU B 116 11.160 10.855 -2.606 1.00 0.00 O ATOM 1486 CB GLU B 116 8.626 11.159 -0.751 1.00 0.00 C ATOM 1487 CG GLU B 116 7.128 10.846 -0.817 1.00 0.00 C ATOM 1488 CD GLU B 116 6.266 12.118 -0.735 1.00 0.00 C ATOM 1489 OE1 GLU B 116 5.320 12.174 0.094 1.00 0.00 O ATOM 1490 OE2 GLU B 116 6.478 13.079 -1.511 1.00 0.00 O1- ATOM 0 H GLU B 116 9.107 9.262 0.815 1.00 0.00 H new ATOM 0 HA GLU B 116 9.095 9.468 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU B 116 8.885 11.478 0.258 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.851 11.992 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.909 10.320 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.862 10.175 -0.000 1.00 0.00 H new ATOM 1497 N GLY B 117 11.851 10.369 -0.522 1.00 0.00 N ATOM 1498 CA GLY B 117 13.235 10.822 -0.713 1.00 0.00 C ATOM 1499 C GLY B 117 14.086 9.864 -1.561 1.00 0.00 C ATOM 1500 O GLY B 117 14.842 10.308 -2.429 1.00 0.00 O ATOM 0 H GLY B 117 11.669 10.004 0.413 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.225 11.803 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY B 117 13.706 10.946 0.262 1.00 0.00 H new ATOM 1504 N LEU B 118 13.957 8.551 -1.321 1.00 0.00 N ATOM 1505 CA LEU B 118 14.627 7.480 -2.087 1.00 0.00 C ATOM 1506 C LEU B 118 13.956 7.193 -3.449 1.00 0.00 C ATOM 1507 O LEU B 118 12.825 7.624 -3.700 1.00 0.00 O ATOM 1508 CB LEU B 118 14.796 6.253 -1.170 1.00 0.00 C ATOM 1509 CG LEU B 118 13.519 5.565 -0.653 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.900 4.582 -1.642 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.858 4.787 0.618 1.00 0.00 C ATOM 0 H LEU B 118 13.369 8.191 -0.569 1.00 0.00 H new ATOM 0 HA LEU B 118 15.623 7.809 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.383 5.509 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.386 6.559 -0.306 1.00 0.00 H new ATOM 0 HG LEU B 118 12.793 6.360 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU B 118 12.005 4.140 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.633 5.108 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.619 3.795 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU B 118 12.961 4.295 0.994 1.00 0.00 H new ATOM 0 HD22 LEU B 118 14.616 4.037 0.394 1.00 0.00 H new ATOM 0 HD23 LEU B 118 14.239 5.473 1.374 1.00 0.00 H new ATOM 1523 N GLN B 119 14.656 6.480 -4.345 1.00 0.00 N ATOM 1524 CA GLN B 119 14.229 6.228 -5.732 1.00 0.00 C ATOM 1525 C GLN B 119 14.026 4.733 -6.050 1.00 0.00 C ATOM 1526 O GLN B 119 14.251 3.867 -5.205 1.00 0.00 O ATOM 1527 CB GLN B 119 15.189 6.937 -6.709 1.00 0.00 C ATOM 1528 CG GLN B 119 16.602 6.325 -6.805 1.00 0.00 C ATOM 1529 CD GLN B 119 17.668 7.348 -6.434 1.00 0.00 C ATOM 1530 OE1 GLN B 119 18.220 8.062 -7.264 1.00 0.00 O ATOM 1531 NE2 GLN B 119 17.959 7.497 -5.162 1.00 0.00 N ATOM 0 H GLN B 119 15.555 6.053 -4.121 1.00 0.00 H new ATOM 0 HA GLN B 119 13.236 6.659 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN B 119 14.740 6.931 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN B 119 15.282 7.980 -6.408 1.00 0.00 H new ATOM 0 HG2 GLN B 119 16.674 5.463 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN B 119 16.777 5.963 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.506 6.909 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN B 119 18.638 8.201 -4.873 1.00 0.00 H new ATOM 1540 N ASP B 120 13.593 4.410 -7.273 1.00 0.00 N ATOM 1541 CA ASP B 120 13.218 3.048 -7.691 1.00 0.00 C ATOM 1542 C ASP B 120 14.352 2.007 -7.553 1.00 0.00 C ATOM 1543 O ASP B 120 14.093 0.841 -7.253 1.00 0.00 O ATOM 1544 CB ASP B 120 12.715 3.061 -9.144 1.00 0.00 C ATOM 1545 CG ASP B 120 11.494 3.961 -9.422 1.00 0.00 C ATOM 1546 OD1 ASP B 120 11.200 4.198 -10.620 1.00 0.00 O ATOM 1547 OD2 ASP B 120 10.810 4.425 -8.477 1.00 0.00 O1- ATOM 0 H ASP B 120 13.490 5.099 -8.018 1.00 0.00 H new ATOM 0 HA ASP B 120 12.428 2.738 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP B 120 13.533 3.381 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.463 2.040 -9.431 1.00 0.00 H new ATOM 1552 N ASP B 121 15.613 2.425 -7.707 1.00 0.00 N ATOM 1553 CA ASP B 121 16.790 1.569 -7.478 1.00 0.00 C ATOM 1554 C ASP B 121 16.949 1.185 -5.993 1.00 0.00 C ATOM 1555 O ASP B 121 17.371 0.071 -5.677 1.00 0.00 O ATOM 1556 CB ASP B 121 18.060 2.291 -7.965 1.00 0.00 C ATOM 1557 CG ASP B 121 18.107 2.591 -9.475 1.00 0.00 C ATOM 1558 OD1 ASP B 121 18.935 3.440 -9.883 1.00 0.00 O ATOM 1559 OD2 ASP B 121 17.366 1.971 -10.278 1.00 0.00 O1- ATOM 0 H ASP B 121 15.851 3.374 -7.996 1.00 0.00 H new ATOM 0 HA ASP B 121 16.642 0.649 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.155 3.231 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP B 121 18.926 1.683 -7.705 1.00 0.00 H new ATOM 1564 N ASP B 122 16.576 2.086 -5.080 1.00 0.00 N ATOM 1565 CA ASP B 122 16.543 1.838 -3.633 1.00 0.00 C ATOM 1566 C ASP B 122 15.333 0.980 -3.227 1.00 0.00 C ATOM 1567 O ASP B 122 15.472 0.085 -2.393 1.00 0.00 O ATOM 1568 CB ASP B 122 16.521 3.167 -2.861 1.00 0.00 C ATOM 1569 CG ASP B 122 17.587 4.176 -3.300 1.00 0.00 C ATOM 1570 OD1 ASP B 122 18.785 3.811 -3.382 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.224 5.358 -3.530 1.00 0.00 O1- ATOM 0 H ASP B 122 16.282 3.030 -5.330 1.00 0.00 H new ATOM 0 HA ASP B 122 17.447 1.286 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.538 3.623 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.652 2.958 -1.799 1.00 0.00 H new ATOM 1576 N LEU B 123 14.170 1.198 -3.857 1.00 0.00 N ATOM 1577 CA LEU B 123 12.986 0.353 -3.671 1.00 0.00 C ATOM 1578 C LEU B 123 13.282 -1.102 -4.068 1.00 0.00 C ATOM 1579 O LEU B 123 13.014 -2.018 -3.289 1.00 0.00 O ATOM 1580 CB LEU B 123 11.783 0.901 -4.461 1.00 0.00 C ATOM 1581 CG LEU B 123 11.250 2.261 -3.978 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.201 2.814 -4.938 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.570 2.158 -2.610 1.00 0.00 C ATOM 0 H LEU B 123 14.025 1.967 -4.511 1.00 0.00 H new ATOM 0 HA LEU B 123 12.728 0.370 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.067 0.991 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.974 0.173 -4.412 1.00 0.00 H new ATOM 0 HG LEU B 123 12.121 2.914 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU B 123 9.843 3.776 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU B 123 10.644 2.945 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.366 2.117 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.209 3.141 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.730 1.466 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.286 1.793 -1.874 1.00 0.00 H new ATOM 1595 N ALA B 124 13.882 -1.334 -5.239 1.00 0.00 N ATOM 1596 CA ALA B 124 14.259 -2.680 -5.677 1.00 0.00 C ATOM 1597 C ALA B 124 15.285 -3.354 -4.751 1.00 0.00 C ATOM 1598 O ALA B 124 15.203 -4.564 -4.533 1.00 0.00 O ATOM 1599 CB ALA B 124 14.780 -2.610 -7.117 1.00 0.00 C ATOM 0 H ALA B 124 14.119 -0.599 -5.906 1.00 0.00 H new ATOM 0 HA ALA B 124 13.368 -3.306 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.063 -3.608 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA B 124 13.999 -2.218 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA B 124 15.649 -1.954 -7.158 1.00 0.00 H new ATOM 1605 N ALA B 125 16.217 -2.587 -4.171 1.00 0.00 N ATOM 1606 CA ALA B 125 17.183 -3.097 -3.201 1.00 0.00 C ATOM 1607 C ALA B 125 16.535 -3.476 -1.852 1.00 0.00 C ATOM 1608 O ALA B 125 16.844 -4.535 -1.297 1.00 0.00 O ATOM 1609 CB ALA B 125 18.294 -2.055 -3.021 1.00 0.00 C ATOM 0 H ALA B 125 16.319 -1.591 -4.365 1.00 0.00 H new ATOM 0 HA ALA B 125 17.605 -4.024 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA B 125 19.023 -2.422 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.787 -1.880 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.862 -1.122 -2.659 1.00 0.00 H new ATOM 1615 N LEU B 126 15.628 -2.642 -1.317 1.00 0.00 N ATOM 1616 CA LEU B 126 15.005 -2.870 -0.002 1.00 0.00 C ATOM 1617 C LEU B 126 13.855 -3.897 -0.044 1.00 0.00 C ATOM 1618 O LEU B 126 13.652 -4.610 0.941 1.00 0.00 O ATOM 1619 CB LEU B 126 14.655 -1.516 0.655 1.00 0.00 C ATOM 1620 CG LEU B 126 13.288 -0.879 0.313 1.00 0.00 C ATOM 1621 CD1 LEU B 126 12.205 -1.322 1.299 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.361 0.651 0.420 1.00 0.00 C ATOM 0 H LEU B 126 15.307 -1.793 -1.782 1.00 0.00 H new ATOM 0 HA LEU B 126 15.731 -3.353 0.652 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.702 -1.647 1.736 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.434 -0.802 0.386 1.00 0.00 H new ATOM 0 HG LEU B 126 13.046 -1.199 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU B 126 11.256 -0.857 1.031 1.00 0.00 H new ATOM 0 HD12 LEU B 126 12.101 -2.406 1.262 1.00 0.00 H new ATOM 0 HD13 LEU B 126 12.485 -1.019 2.308 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.389 1.080 0.175 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.636 0.932 1.437 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.110 1.029 -0.276 1.00 0.00 H new ATOM 1634 N LEU B 127 13.144 -4.035 -1.173 1.00 0.00 N ATOM 1635 CA LEU B 127 12.176 -5.122 -1.403 1.00 0.00 C ATOM 1636 C LEU B 127 12.879 -6.454 -1.721 1.00 0.00 C ATOM 1637 O LEU B 127 12.729 -7.415 -0.967 1.00 0.00 O ATOM 1638 CB LEU B 127 11.168 -4.755 -2.517 1.00 0.00 C ATOM 1639 CG LEU B 127 9.932 -3.972 -2.037 1.00 0.00 C ATOM 1640 CD1 LEU B 127 10.185 -2.515 -1.666 1.00 0.00 C ATOM 1641 CD2 LEU B 127 8.863 -3.973 -3.127 1.00 0.00 C ATOM 0 H LEU B 127 13.224 -3.391 -1.960 1.00 0.00 H new ATOM 0 HA LEU B 127 11.620 -5.254 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.684 -4.164 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.834 -5.672 -3.002 1.00 0.00 H new ATOM 0 HG LEU B 127 9.621 -4.490 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU B 127 9.252 -2.055 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.914 -2.467 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.571 -1.980 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU B 127 7.991 -3.418 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.260 -3.503 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.574 -5.000 -3.352 1.00 0.00 H new ATOM 1653 N GLY B 128 13.651 -6.502 -2.815 1.00 0.00 N ATOM 1654 CA GLY B 128 14.344 -7.700 -3.306 1.00 0.00 C ATOM 1655 C GLY B 128 13.405 -8.771 -3.891 1.00 0.00 C ATOM 1656 O GLY B 128 12.669 -9.438 -3.159 1.00 0.00 O ATOM 0 H GLY B 128 13.815 -5.683 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY B 128 15.062 -7.404 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.914 -8.139 -2.487 1.00 0.00 H new ATOM 1660 N LYS B 129 13.463 -8.956 -5.220 1.00 0.00 N ATOM 1661 CA LYS B 129 12.708 -9.916 -6.073 1.00 0.00 C ATOM 1662 C LYS B 129 11.175 -9.758 -6.103 1.00 0.00 C ATOM 1663 O LYS B 129 10.593 -9.883 -7.182 1.00 0.00 O ATOM 1664 CB LYS B 129 13.105 -11.380 -5.765 1.00 0.00 C ATOM 1665 CG LYS B 129 14.461 -11.832 -6.340 1.00 0.00 C ATOM 1666 CD LYS B 129 15.693 -11.143 -5.738 1.00 0.00 C ATOM 1667 CE LYS B 129 16.959 -11.813 -6.284 1.00 0.00 C ATOM 1668 NZ LYS B 129 18.194 -11.197 -5.739 1.00 0.00 N1+ ATOM 0 H LYS B 129 14.095 -8.390 -5.786 1.00 0.00 H new ATOM 0 HA LYS B 129 13.019 -9.649 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS B 129 13.126 -11.513 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS B 129 12.328 -12.039 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.559 -12.908 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS B 129 14.457 -11.657 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS B 129 15.691 -10.082 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS B 129 15.669 -11.213 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS B 129 16.943 -12.874 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS B 129 16.967 -11.740 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 19.026 -11.680 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 18.223 -10.190 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 18.200 -11.289 -4.703 1.00 0.00 H new ATOM 1682 N GLU B 130 10.538 -9.448 -4.974 1.00 0.00 N ATOM 1683 CA GLU B 130 9.103 -9.122 -4.854 1.00 0.00 C ATOM 1684 C GLU B 130 8.749 -7.680 -5.271 1.00 0.00 C ATOM 1685 O GLU B 130 7.567 -7.324 -5.318 1.00 0.00 O ATOM 1686 CB GLU B 130 8.606 -9.398 -3.420 1.00 0.00 C ATOM 1687 CG GLU B 130 8.748 -10.849 -2.946 1.00 0.00 C ATOM 1688 CD GLU B 130 8.172 -11.879 -3.943 1.00 0.00 C ATOM 1689 OE1 GLU B 130 7.049 -11.674 -4.470 1.00 0.00 O ATOM 1690 OE2 GLU B 130 8.835 -12.909 -4.206 1.00 0.00 O1- ATOM 0 H GLU B 130 11.021 -9.414 -4.076 1.00 0.00 H new ATOM 0 HA GLU B 130 8.590 -9.775 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU B 130 9.154 -8.753 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.556 -9.113 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU B 130 9.803 -11.067 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU B 130 8.243 -10.961 -1.987 1.00 0.00 H new ATOM 1697 N PHE B 131 9.748 -6.858 -5.621 1.00 0.00 N ATOM 1698 CA PHE B 131 9.556 -5.626 -6.400 1.00 0.00 C ATOM 1699 C PHE B 131 8.799 -5.934 -7.705 1.00 0.00 C ATOM 1700 O PHE B 131 8.959 -7.025 -8.259 1.00 0.00 O ATOM 1701 CB PHE B 131 10.938 -4.993 -6.663 1.00 0.00 C ATOM 1702 CG PHE B 131 10.932 -3.737 -7.517 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.016 -2.461 -6.922 1.00 0.00 C ATOM 1704 CD2 PHE B 131 10.842 -3.842 -8.916 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.009 -1.305 -7.723 1.00 0.00 C ATOM 1706 CE2 PHE B 131 10.777 -2.688 -9.717 1.00 0.00 C ATOM 1707 CZ PHE B 131 10.868 -1.419 -9.122 1.00 0.00 C ATOM 0 H PHE B 131 10.721 -7.031 -5.369 1.00 0.00 H new ATOM 0 HA PHE B 131 8.948 -4.912 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.398 -4.756 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.572 -5.736 -7.146 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.086 -2.371 -5.848 1.00 0.00 H new ATOM 0 HD2 PHE B 131 10.823 -4.817 -9.380 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.111 -0.331 -7.268 1.00 0.00 H new ATOM 0 HE2 PHE B 131 10.657 -2.777 -10.787 1.00 0.00 H new ATOM 0 HZ PHE B 131 10.830 -0.531 -9.735 1.00 0.00 H new ATOM 1717 N ILE B 132 7.964 -5.006 -8.191 1.00 0.00 N ATOM 1718 CA ILE B 132 7.013 -5.265 -9.286 1.00 0.00 C ATOM 1719 C ILE B 132 7.689 -5.808 -10.559 1.00 0.00 C ATOM 1720 O ILE B 132 8.757 -5.345 -10.966 1.00 0.00 O ATOM 1721 CB ILE B 132 6.138 -4.014 -9.566 1.00 0.00 C ATOM 1722 CG1 ILE B 132 4.780 -4.350 -10.223 1.00 0.00 C ATOM 1723 CG2 ILE B 132 6.841 -2.988 -10.470 1.00 0.00 C ATOM 1724 CD1 ILE B 132 3.883 -5.232 -9.347 1.00 0.00 C ATOM 0 H ILE B 132 7.927 -4.050 -7.836 1.00 0.00 H new ATOM 0 HA ILE B 132 6.352 -6.064 -8.951 1.00 0.00 H new ATOM 0 HB ILE B 132 5.969 -3.591 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.255 -3.422 -10.450 1.00 0.00 H new ATOM 0 HG13 ILE B 132 4.959 -4.855 -11.172 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.183 -2.134 -10.632 1.00 0.00 H new ATOM 0 HG22 ILE B 132 7.761 -2.651 -9.992 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.079 -3.450 -11.428 1.00 0.00 H new ATOM 0 HD11 ILE B 132 2.946 -5.429 -9.868 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.389 -6.175 -9.141 1.00 0.00 H new ATOM 0 HD13 ILE B 132 3.675 -4.720 -8.408 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.411 12.423 10.953 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.435 11.354 10.678 1.00 0.00 C ATOM 1995 C TRP B 156 -4.770 10.583 9.389 1.00 0.00 C ATOM 1996 O TRP B 156 -3.875 10.195 8.634 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.377 10.409 11.889 1.00 0.00 C ATOM 1998 CG TRP B 156 -5.650 9.674 12.207 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.608 10.108 13.053 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.174 8.439 11.622 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -7.689 9.257 13.010 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -7.484 8.215 12.133 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -5.688 7.504 10.679 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.287 7.141 11.716 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -6.481 6.425 10.249 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -7.779 6.246 10.759 1.00 0.00 C ATOM 0 HA TRP B 156 -3.457 11.807 10.519 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -3.590 9.675 11.716 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.086 10.989 12.765 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.537 10.991 13.671 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.538 9.383 13.561 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -4.690 7.621 10.282 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -9.278 7.005 12.124 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -6.090 5.729 9.522 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -8.385 5.421 10.415 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.068 10.385 9.133 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.634 9.610 8.024 1.00 0.00 C ATOM 2019 C LYS B 157 -6.512 10.360 6.698 1.00 0.00 C ATOM 2020 O LYS B 157 -6.063 9.797 5.704 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.099 9.315 8.377 1.00 0.00 C ATOM 2022 CG LYS B 157 -8.774 8.286 7.462 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.286 8.207 7.734 1.00 0.00 C ATOM 2024 CE LYS B 157 -10.606 7.653 9.130 1.00 0.00 C ATOM 2025 NZ LYS B 157 -12.012 7.924 9.508 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.793 10.785 9.729 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.084 8.678 7.891 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.148 8.957 9.405 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -8.665 10.246 8.337 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -8.603 8.555 6.420 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -8.322 7.306 7.617 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -10.722 9.201 7.633 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -10.755 7.575 6.980 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -10.423 6.579 9.148 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -9.937 8.102 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -12.197 7.538 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -12.178 8.951 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -12.649 7.474 8.820 1.00 0.00 H new ATOM 2039 N ASP B 158 -6.881 11.641 6.705 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.896 12.515 5.527 1.00 0.00 C ATOM 2041 C ASP B 158 -5.486 12.740 4.951 1.00 0.00 C ATOM 2042 O ASP B 158 -5.260 12.526 3.760 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.559 13.846 5.925 1.00 0.00 C ATOM 2044 CG ASP B 158 -7.739 14.837 4.761 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -7.743 16.069 5.016 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -7.919 14.412 3.596 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.187 12.115 7.555 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.468 12.036 4.733 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -8.535 13.636 6.362 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -6.958 14.320 6.701 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.518 13.106 5.799 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.123 13.346 5.402 1.00 0.00 C ATOM 2053 C ASP B 159 -2.458 12.072 4.847 1.00 0.00 C ATOM 2054 O ASP B 159 -1.844 12.095 3.776 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.358 13.882 6.622 1.00 0.00 C ATOM 2056 CG ASP B 159 -0.904 14.293 6.322 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -0.048 14.180 7.235 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -0.612 14.757 5.196 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.683 13.246 6.796 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.101 14.080 4.597 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -2.892 14.743 7.023 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -2.355 13.118 7.400 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.635 10.939 5.531 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.104 9.636 5.125 1.00 0.00 C ATOM 2065 C TYR B 160 -2.676 9.190 3.770 1.00 0.00 C ATOM 2066 O TYR B 160 -1.921 8.966 2.820 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.398 8.638 6.252 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.893 7.222 6.054 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.558 6.906 6.374 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.784 6.206 5.652 1.00 0.00 C ATOM 2071 CE1 TYR B 160 -0.115 5.570 6.316 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -2.344 4.866 5.602 1.00 0.00 C ATOM 2073 CZ TYR B 160 -1.013 4.545 5.952 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.604 3.250 5.975 1.00 0.00 O ATOM 0 H TYR B 160 -3.164 10.902 6.402 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.026 9.695 4.973 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -1.966 9.028 7.174 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.477 8.597 6.398 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.127 7.689 6.664 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.801 6.453 5.383 1.00 0.00 H new ATOM 0 HE1 TYR B 160 0.912 5.331 6.550 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -3.025 4.085 5.296 1.00 0.00 H new ATOM 0 HH TYR B 160 -1.380 2.664 6.095 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.008 9.143 3.628 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.680 8.714 2.398 1.00 0.00 C ATOM 2086 C LEU B 161 -4.347 9.620 1.192 1.00 0.00 C ATOM 2087 O LEU B 161 -4.174 9.123 0.077 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.192 8.650 2.684 1.00 0.00 C ATOM 2089 CG LEU B 161 -7.052 8.148 1.513 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.765 6.693 1.129 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.527 8.264 1.889 1.00 0.00 C ATOM 0 H LEU B 161 -4.654 9.405 4.373 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.317 7.727 2.110 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.357 7.999 3.542 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.536 9.645 2.968 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.803 8.769 0.653 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -7.406 6.403 0.296 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.720 6.594 0.834 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.964 6.045 1.983 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -9.142 7.909 1.062 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.725 7.660 2.774 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.768 9.306 2.100 1.00 0.00 H new ATOM 2103 N SER B 162 -4.209 10.930 1.416 1.00 0.00 N ATOM 2104 CA SER B 162 -3.789 11.902 0.399 1.00 0.00 C ATOM 2105 C SER B 162 -2.375 11.604 -0.120 1.00 0.00 C ATOM 2106 O SER B 162 -2.174 11.505 -1.337 1.00 0.00 O ATOM 2107 CB SER B 162 -3.875 13.322 0.975 1.00 0.00 C ATOM 2108 OG SER B 162 -3.455 14.289 0.030 1.00 0.00 O ATOM 0 H SER B 162 -4.389 11.354 2.326 1.00 0.00 H new ATOM 0 HA SER B 162 -4.464 11.821 -0.453 1.00 0.00 H new ATOM 0 HB2 SER B 162 -4.900 13.531 1.280 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.256 13.392 1.869 1.00 0.00 H new ATOM 0 HG SER B 162 -3.522 15.183 0.425 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.396 11.379 0.770 1.00 0.00 N ATOM 2115 CA ARG B 163 -0.016 11.014 0.377 1.00 0.00 C ATOM 2116 C ARG B 163 0.037 9.654 -0.321 1.00 0.00 C ATOM 2117 O ARG B 163 0.689 9.533 -1.353 1.00 0.00 O ATOM 2118 CB ARG B 163 0.938 11.055 1.586 1.00 0.00 C ATOM 2119 CG ARG B 163 1.172 12.490 2.090 1.00 0.00 C ATOM 2120 CD ARG B 163 2.203 12.561 3.225 1.00 0.00 C ATOM 2121 NE ARG B 163 3.583 12.444 2.720 1.00 0.00 N ATOM 2122 CZ ARG B 163 4.695 12.607 3.408 1.00 0.00 C ATOM 2123 NH1 ARG B 163 4.726 12.818 4.692 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 5.833 12.563 2.797 1.00 0.00 N ATOM 0 H ARG B 163 -1.532 11.443 1.779 1.00 0.00 H new ATOM 0 HA ARG B 163 0.321 11.760 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.525 10.450 2.394 1.00 0.00 H new ATOM 0 HB3 ARG B 163 1.893 10.608 1.309 1.00 0.00 H new ATOM 0 HG2 ARG B 163 1.509 13.111 1.260 1.00 0.00 H new ATOM 0 HG3 ARG B 163 0.227 12.907 2.437 1.00 0.00 H new ATOM 0 HD2 ARG B 163 2.090 13.504 3.760 1.00 0.00 H new ATOM 0 HD3 ARG B 163 2.010 11.763 3.942 1.00 0.00 H new ATOM 0 HE ARG B 163 3.688 12.212 1.732 1.00 0.00 H new ATOM 0 HH11 ARG B 163 3.856 12.865 5.222 1.00 0.00 H new ATOM 0 HH12 ARG B 163 5.620 12.936 5.168 1.00 0.00 H new ATOM 0 HH21 ARG B 163 5.865 12.403 1.790 1.00 0.00 H new ATOM 0 HH22 ARG B 163 6.699 12.688 3.322 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.702 8.653 0.162 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.733 7.315 -0.450 1.00 0.00 C ATOM 2140 C LEU B 164 -1.237 7.320 -1.913 1.00 0.00 C ATOM 2141 O LEU B 164 -0.794 6.486 -2.708 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.542 6.352 0.443 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.673 5.574 1.456 1.00 0.00 C ATOM 2144 CD1 LEU B 164 -0.100 6.404 2.598 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.490 4.441 2.066 1.00 0.00 C ATOM 0 H LEU B 164 -1.296 8.743 0.986 1.00 0.00 H new ATOM 0 HA LEU B 164 0.295 6.958 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.297 6.920 0.986 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -2.072 5.641 -0.190 1.00 0.00 H new ATOM 0 HG LEU B 164 0.177 5.215 0.875 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.493 5.764 3.251 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.532 7.194 2.192 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.915 6.849 3.169 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.876 3.893 2.780 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.360 4.854 2.577 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.820 3.765 1.277 1.00 0.00 H new ATOM 2157 N SER B 165 -2.100 8.262 -2.309 1.00 0.00 N ATOM 2158 CA SER B 165 -2.521 8.374 -3.721 1.00 0.00 C ATOM 2159 C SER B 165 -1.422 8.928 -4.643 1.00 0.00 C ATOM 2160 O SER B 165 -1.368 8.548 -5.817 1.00 0.00 O ATOM 2161 CB SER B 165 -3.831 9.158 -3.849 1.00 0.00 C ATOM 2162 OG SER B 165 -3.619 10.560 -3.853 1.00 0.00 O ATOM 0 H SER B 165 -2.519 8.952 -1.686 1.00 0.00 H new ATOM 0 HA SER B 165 -2.705 7.358 -4.069 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.338 8.867 -4.769 1.00 0.00 H new ATOM 0 HB3 SER B 165 -4.492 8.895 -3.023 1.00 0.00 H new ATOM 0 HG SER B 165 -3.155 10.823 -3.031 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.515 9.765 -4.113 1.00 0.00 N ATOM 2169 CA ARG B 166 0.683 10.284 -4.807 1.00 0.00 C ATOM 2170 C ARG B 166 1.791 9.231 -4.941 1.00 0.00 C ATOM 2171 O ARG B 166 2.407 9.126 -6.006 1.00 0.00 O ATOM 2172 CB ARG B 166 1.246 11.505 -4.053 1.00 0.00 C ATOM 2173 CG ARG B 166 0.295 12.718 -4.025 1.00 0.00 C ATOM 2174 CD ARG B 166 0.737 13.768 -2.995 1.00 0.00 C ATOM 2175 NE ARG B 166 2.130 14.235 -3.196 1.00 0.00 N ATOM 2176 CZ ARG B 166 3.204 13.883 -2.505 1.00 0.00 C ATOM 2177 NH1 ARG B 166 3.165 13.045 -1.508 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 4.367 14.370 -2.806 1.00 0.00 N ATOM 0 H ARG B 166 -0.595 10.113 -3.157 1.00 0.00 H new ATOM 0 HA ARG B 166 0.364 10.566 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG B 166 1.475 11.212 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG B 166 2.186 11.804 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG B 166 0.258 13.173 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -0.715 12.382 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG B 166 0.063 14.623 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.643 13.347 -1.994 1.00 0.00 H new ATOM 0 HE ARG B 166 2.278 14.903 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG B 166 2.278 12.627 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG B 166 4.022 12.807 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG B 166 4.459 15.029 -3.579 1.00 0.00 H new ATOM 0 HH22 ARG B 166 5.190 14.094 -2.270 1.00 0.00 H new ATOM 2192 N LEU B 167 2.033 8.451 -3.879 1.00 0.00 N ATOM 2193 CA LEU B 167 3.034 7.374 -3.856 1.00 0.00 C ATOM 2194 C LEU B 167 2.672 6.240 -4.840 1.00 0.00 C ATOM 2195 O LEU B 167 1.507 5.855 -4.955 1.00 0.00 O ATOM 2196 CB LEU B 167 3.193 6.831 -2.417 1.00 0.00 C ATOM 2197 CG LEU B 167 4.271 7.548 -1.580 1.00 0.00 C ATOM 2198 CD1 LEU B 167 3.965 9.017 -1.305 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.426 6.867 -0.224 1.00 0.00 C ATOM 0 H LEU B 167 1.531 8.552 -2.997 1.00 0.00 H new ATOM 0 HA LEU B 167 3.988 7.789 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.236 6.915 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.436 5.770 -2.467 1.00 0.00 H new ATOM 0 HG LEU B 167 5.180 7.489 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.769 9.451 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU B 167 3.881 9.554 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.026 9.097 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.190 7.383 0.357 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.477 6.902 0.312 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.721 5.828 -0.370 1.00 0.00 H new ATOM 2211 N SER B 168 3.680 5.692 -5.524 1.00 0.00 N ATOM 2212 CA SER B 168 3.568 4.566 -6.467 1.00 0.00 C ATOM 2213 C SER B 168 3.320 3.214 -5.762 1.00 0.00 C ATOM 2214 O SER B 168 3.556 3.085 -4.565 1.00 0.00 O ATOM 2215 CB SER B 168 4.850 4.513 -7.311 1.00 0.00 C ATOM 2216 OG SER B 168 4.763 3.515 -8.311 1.00 0.00 O ATOM 0 H SER B 168 4.638 6.032 -5.435 1.00 0.00 H new ATOM 0 HA SER B 168 2.698 4.734 -7.101 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.023 5.484 -7.776 1.00 0.00 H new ATOM 0 HB3 SER B 168 5.705 4.312 -6.666 1.00 0.00 H new ATOM 0 HG SER B 168 5.591 3.504 -8.835 1.00 0.00 H new ATOM 2222 N LYS B 169 2.888 2.172 -6.488 1.00 0.00 N ATOM 2223 CA LYS B 169 2.669 0.810 -5.950 1.00 0.00 C ATOM 2224 C LYS B 169 3.885 0.258 -5.197 1.00 0.00 C ATOM 2225 O LYS B 169 3.743 -0.290 -4.106 1.00 0.00 O ATOM 2226 CB LYS B 169 2.237 -0.110 -7.109 1.00 0.00 C ATOM 2227 CG LYS B 169 2.189 -1.593 -6.709 1.00 0.00 C ATOM 2228 CD LYS B 169 1.257 -2.425 -7.598 1.00 0.00 C ATOM 2229 CE LYS B 169 1.301 -3.887 -7.144 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.420 -4.747 -7.964 1.00 0.00 N1+ ATOM 0 H LYS B 169 2.676 2.248 -7.483 1.00 0.00 H new ATOM 0 HA LYS B 169 1.877 0.854 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.253 0.198 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS B 169 2.929 0.014 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS B 169 3.195 -2.009 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS B 169 1.861 -1.673 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.238 -2.043 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.564 -2.346 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.325 -4.255 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.000 -3.951 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.796 -5.717 -7.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.537 -4.752 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.381 -4.378 -8.936 1.00 0.00 H new ATOM 2244 N ASN B 170 5.091 0.457 -5.733 1.00 0.00 N ATOM 2245 CA ASN B 170 6.354 0.055 -5.097 1.00 0.00 C ATOM 2246 C ASN B 170 6.606 0.807 -3.766 1.00 0.00 C ATOM 2247 O ASN B 170 7.081 0.217 -2.792 1.00 0.00 O ATOM 2248 CB ASN B 170 7.495 0.280 -6.106 1.00 0.00 C ATOM 2249 CG ASN B 170 7.269 -0.454 -7.418 1.00 0.00 C ATOM 2250 OD1 ASN B 170 7.883 -1.596 -7.599 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 6.530 -0.023 -8.290 1.00 0.00 N flip ATOM 0 H ASN B 170 5.223 0.910 -6.637 1.00 0.00 H new ATOM 0 HA ASN B 170 6.302 -1.001 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN B 170 7.595 1.347 -6.304 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.435 -0.052 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN B 170 6.048 0.866 -8.157 1.00 0.00 H new ATOM 0 HD22 ASN B 170 6.395 -0.552 -9.152 1.00 0.00 H new ATOM 2258 N GLN B 171 6.238 2.089 -3.705 1.00 0.00 N ATOM 2259 CA GLN B 171 6.304 2.919 -2.496 1.00 0.00 C ATOM 2260 C GLN B 171 5.239 2.519 -1.456 1.00 0.00 C ATOM 2261 O GLN B 171 5.545 2.479 -0.264 1.00 0.00 O ATOM 2262 CB GLN B 171 6.168 4.396 -2.890 1.00 0.00 C ATOM 2263 CG GLN B 171 7.391 4.924 -3.657 1.00 0.00 C ATOM 2264 CD GLN B 171 7.218 6.387 -4.064 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.299 6.740 -4.798 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.068 7.289 -3.625 1.00 0.00 N ATOM 0 H GLN B 171 5.876 2.593 -4.515 1.00 0.00 H new ATOM 0 HA GLN B 171 7.271 2.758 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.277 4.522 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.022 4.995 -1.991 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.281 4.822 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN B 171 7.552 4.316 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN B 171 8.836 7.011 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN B 171 7.959 8.267 -3.895 1.00 0.00 H new ATOM 2275 N LEU B 172 4.019 2.155 -1.880 1.00 0.00 N ATOM 2276 CA LEU B 172 2.976 1.596 -0.998 1.00 0.00 C ATOM 2277 C LEU B 172 3.429 0.291 -0.324 1.00 0.00 C ATOM 2278 O LEU B 172 3.206 0.112 0.872 1.00 0.00 O ATOM 2279 CB LEU B 172 1.666 1.346 -1.777 1.00 0.00 C ATOM 2280 CG LEU B 172 0.958 2.599 -2.315 1.00 0.00 C ATOM 2281 CD1 LEU B 172 -0.369 2.199 -2.955 1.00 0.00 C ATOM 2282 CD2 LEU B 172 0.667 3.608 -1.215 1.00 0.00 C ATOM 0 H LEU B 172 3.724 2.240 -2.853 1.00 0.00 H new ATOM 0 HA LEU B 172 2.796 2.338 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU B 172 1.885 0.687 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU B 172 0.974 0.813 -1.125 1.00 0.00 H new ATOM 0 HG LEU B 172 1.626 3.060 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -0.871 3.088 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -0.183 1.507 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -1.002 1.717 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU B 172 0.166 4.477 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.023 3.151 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU B 172 1.603 3.920 -0.751 1.00 0.00 H new ATOM 2294 N MET B 173 4.125 -0.588 -1.052 1.00 0.00 N ATOM 2295 CA MET B 173 4.732 -1.789 -0.471 1.00 0.00 C ATOM 2296 C MET B 173 5.859 -1.439 0.514 1.00 0.00 C ATOM 2297 O MET B 173 5.908 -1.995 1.612 1.00 0.00 O ATOM 2298 CB MET B 173 5.251 -2.715 -1.581 1.00 0.00 C ATOM 2299 CG MET B 173 4.098 -3.308 -2.398 1.00 0.00 C ATOM 2300 SD MET B 173 4.567 -4.674 -3.495 1.00 0.00 S ATOM 2301 CE MET B 173 5.406 -3.770 -4.827 1.00 0.00 C ATOM 0 H MET B 173 4.283 -0.488 -2.055 1.00 0.00 H new ATOM 0 HA MET B 173 3.959 -2.312 0.092 1.00 0.00 H new ATOM 0 HB2 MET B 173 5.917 -2.158 -2.240 1.00 0.00 H new ATOM 0 HB3 MET B 173 5.839 -3.520 -1.140 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.328 -3.660 -1.711 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.651 -2.515 -2.998 1.00 0.00 H new ATOM 0 HE1 MET B 173 5.659 -4.460 -5.632 1.00 0.00 H new ATOM 0 HE2 MET B 173 4.746 -2.992 -5.210 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.317 -3.314 -4.440 1.00 0.00 H new ATOM 2311 N ALA B 174 6.738 -0.492 0.167 1.00 0.00 N ATOM 2312 CA ALA B 174 7.890 -0.120 0.988 1.00 0.00 C ATOM 2313 C ALA B 174 7.513 0.591 2.304 1.00 0.00 C ATOM 2314 O ALA B 174 8.052 0.247 3.358 1.00 0.00 O ATOM 2315 CB ALA B 174 8.809 0.732 0.113 1.00 0.00 C ATOM 0 H ALA B 174 6.667 0.041 -0.700 1.00 0.00 H new ATOM 0 HA ALA B 174 8.400 -1.024 1.320 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.684 1.032 0.689 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.126 0.152 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.273 1.620 -0.221 1.00 0.00 H new ATOM 2321 N LEU B 175 6.563 1.538 2.282 1.00 0.00 N ATOM 2322 CA LEU B 175 6.106 2.248 3.491 1.00 0.00 C ATOM 2323 C LEU B 175 5.433 1.282 4.477 1.00 0.00 C ATOM 2324 O LEU B 175 5.684 1.341 5.685 1.00 0.00 O ATOM 2325 CB LEU B 175 5.224 3.463 3.111 1.00 0.00 C ATOM 2326 CG LEU B 175 3.745 3.179 2.766 1.00 0.00 C ATOM 2327 CD1 LEU B 175 2.825 3.258 3.990 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.203 4.187 1.753 1.00 0.00 C ATOM 0 H LEU B 175 6.089 1.834 1.429 1.00 0.00 H new ATOM 0 HA LEU B 175 6.972 2.652 4.016 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.248 4.171 3.940 1.00 0.00 H new ATOM 0 HB3 LEU B 175 5.682 3.959 2.255 1.00 0.00 H new ATOM 0 HG LEU B 175 3.742 2.167 2.360 1.00 0.00 H new ATOM 0 HD11 LEU B 175 1.799 3.050 3.688 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.141 2.524 4.731 1.00 0.00 H new ATOM 0 HD13 LEU B 175 2.880 4.257 4.423 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.160 3.957 1.533 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.273 5.193 2.167 1.00 0.00 H new ATOM 0 HD23 LEU B 175 3.788 4.131 0.835 1.00 0.00 H new ATOM 2340 N ALA B 176 4.638 0.334 3.959 1.00 0.00 N ATOM 2341 CA ALA B 176 3.957 -0.682 4.744 1.00 0.00 C ATOM 2342 C ALA B 176 4.949 -1.653 5.403 1.00 0.00 C ATOM 2343 O ALA B 176 4.835 -1.934 6.597 1.00 0.00 O ATOM 2344 CB ALA B 176 2.959 -1.413 3.834 1.00 0.00 C ATOM 0 H ALA B 176 4.453 0.259 2.959 1.00 0.00 H new ATOM 0 HA ALA B 176 3.417 -0.206 5.563 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.438 -2.180 4.407 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.235 -0.699 3.441 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.495 -1.879 3.007 1.00 0.00 H new ATOM 2350 N LEU B 177 5.971 -2.115 4.667 1.00 0.00 N ATOM 2351 CA LEU B 177 7.013 -3.006 5.187 1.00 0.00 C ATOM 2352 C LEU B 177 7.813 -2.341 6.320 1.00 0.00 C ATOM 2353 O LEU B 177 7.996 -2.936 7.384 1.00 0.00 O ATOM 2354 CB LEU B 177 7.908 -3.458 4.008 1.00 0.00 C ATOM 2355 CG LEU B 177 8.602 -4.832 4.121 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.607 -4.925 5.265 1.00 0.00 C ATOM 2357 CD2 LEU B 177 7.585 -5.972 4.243 1.00 0.00 C ATOM 0 H LEU B 177 6.096 -1.876 3.683 1.00 0.00 H new ATOM 0 HA LEU B 177 6.556 -3.888 5.635 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.297 -3.464 3.106 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.681 -2.703 3.864 1.00 0.00 H new ATOM 0 HG LEU B 177 9.161 -4.937 3.191 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.052 -5.920 5.278 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.389 -4.180 5.123 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.099 -4.742 6.212 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.112 -6.923 4.320 1.00 0.00 H new ATOM 0 HD22 LEU B 177 6.975 -5.822 5.134 1.00 0.00 H new ATOM 0 HD23 LEU B 177 6.944 -5.983 3.362 1.00 0.00 H new ATOM 2369 N LYS B 178 8.216 -1.071 6.143 1.00 0.00 N ATOM 2370 CA LYS B 178 8.927 -0.276 7.166 1.00 0.00 C ATOM 2371 C LYS B 178 8.111 -0.121 8.452 1.00 0.00 C ATOM 2372 O LYS B 178 8.618 -0.457 9.527 1.00 0.00 O ATOM 2373 CB LYS B 178 9.322 1.098 6.593 1.00 0.00 C ATOM 2374 CG LYS B 178 10.524 1.000 5.643 1.00 0.00 C ATOM 2375 CD LYS B 178 10.842 2.375 5.039 1.00 0.00 C ATOM 2376 CE LYS B 178 12.041 2.304 4.089 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.335 2.281 4.817 1.00 0.00 N1+ ATOM 0 H LYS B 178 8.056 -0.559 5.275 1.00 0.00 H new ATOM 0 HA LYS B 178 9.833 -0.820 7.434 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.473 1.527 6.061 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.561 1.777 7.411 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.393 0.623 6.183 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.309 0.287 4.847 1.00 0.00 H new ATOM 0 HD2 LYS B 178 9.971 2.748 4.500 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.051 3.086 5.838 1.00 0.00 H new ATOM 0 HE2 LYS B 178 11.959 1.411 3.470 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.020 3.161 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 14.092 1.981 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.546 3.233 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.274 1.613 5.612 1.00 0.00 H new ATOM 2391 N LEU B 179 6.854 0.330 8.365 1.00 0.00 N ATOM 2392 CA LEU B 179 6.016 0.550 9.554 1.00 0.00 C ATOM 2393 C LEU B 179 5.585 -0.759 10.250 1.00 0.00 C ATOM 2394 O LEU B 179 5.348 -0.756 11.462 1.00 0.00 O ATOM 2395 CB LEU B 179 4.866 1.521 9.232 1.00 0.00 C ATOM 2396 CG LEU B 179 3.662 0.983 8.433 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.656 0.225 9.302 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.922 2.164 7.800 1.00 0.00 C ATOM 0 H LEU B 179 6.392 0.551 7.483 1.00 0.00 H new ATOM 0 HA LEU B 179 6.627 1.040 10.312 1.00 0.00 H new ATOM 0 HB2 LEU B 179 4.490 1.917 10.175 1.00 0.00 H new ATOM 0 HB3 LEU B 179 5.285 2.361 8.678 1.00 0.00 H new ATOM 0 HG LEU B 179 4.060 0.292 7.690 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.832 -0.128 8.681 1.00 0.00 H new ATOM 0 HD12 LEU B 179 3.149 -0.627 9.770 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.269 0.890 10.074 1.00 0.00 H new ATOM 0 HD21 LEU B 179 2.068 1.796 7.232 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.574 2.837 8.583 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.597 2.701 7.133 1.00 0.00 H new ATOM 2410 N LYS B 180 5.536 -1.883 9.515 1.00 0.00 N ATOM 2411 CA LYS B 180 5.286 -3.246 10.035 1.00 0.00 C ATOM 2412 C LYS B 180 6.506 -3.810 10.781 1.00 0.00 C ATOM 2413 O LYS B 180 6.351 -4.431 11.830 1.00 0.00 O ATOM 2414 CB LYS B 180 4.877 -4.137 8.846 1.00 0.00 C ATOM 2415 CG LYS B 180 4.434 -5.564 9.214 1.00 0.00 C ATOM 2416 CD LYS B 180 4.129 -6.356 7.930 1.00 0.00 C ATOM 2417 CE LYS B 180 3.534 -7.744 8.196 1.00 0.00 C ATOM 2418 NZ LYS B 180 2.073 -7.693 8.457 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.674 -1.871 8.504 1.00 0.00 H new ATOM 0 HA LYS B 180 4.482 -3.218 10.770 1.00 0.00 H new ATOM 0 HB2 LYS B 180 4.063 -3.648 8.311 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.718 -4.202 8.156 1.00 0.00 H new ATOM 0 HG2 LYS B 180 5.217 -6.063 9.784 1.00 0.00 H new ATOM 0 HG3 LYS B 180 3.550 -5.529 9.850 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.435 -5.783 7.315 1.00 0.00 H new ATOM 0 HD3 LYS B 180 5.048 -6.467 7.354 1.00 0.00 H new ATOM 0 HE2 LYS B 180 3.725 -8.389 7.338 1.00 0.00 H new ATOM 0 HE3 LYS B 180 4.038 -8.194 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 1.793 -8.518 9.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 1.843 -6.821 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 1.558 -7.705 7.553 1.00 0.00 H new ATOM 2432 N GLN B 181 7.715 -3.553 10.281 1.00 0.00 N ATOM 2433 CA GLN B 181 8.975 -4.022 10.874 1.00 0.00 C ATOM 2434 C GLN B 181 9.316 -3.311 12.192 1.00 0.00 C ATOM 2435 O GLN B 181 9.785 -3.944 13.140 1.00 0.00 O ATOM 2436 CB GLN B 181 10.083 -3.850 9.821 1.00 0.00 C ATOM 2437 CG GLN B 181 11.465 -4.305 10.320 1.00 0.00 C ATOM 2438 CD GLN B 181 12.448 -4.571 9.184 1.00 0.00 C ATOM 2439 OE1 GLN B 181 12.983 -5.663 9.028 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.699 -3.617 8.309 1.00 0.00 N ATOM 0 H GLN B 181 7.852 -3.001 9.434 1.00 0.00 H new ATOM 0 HA GLN B 181 8.875 -5.073 11.144 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.820 -4.419 8.929 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.137 -2.802 9.526 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.877 -3.541 10.979 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.351 -5.211 10.915 1.00 0.00 H new ATOM 0 HE21 GLN B 181 12.266 -2.700 8.417 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.326 -3.796 7.525 1.00 0.00 H new ATOM 2449 N GLN B 182 9.071 -1.999 12.287 1.00 0.00 N ATOM 2450 CA GLN B 182 9.385 -1.209 13.485 1.00 0.00 C ATOM 2451 C GLN B 182 8.385 -1.402 14.645 1.00 0.00 C ATOM 2452 O GLN B 182 8.790 -1.331 15.806 1.00 0.00 O ATOM 2453 CB GLN B 182 9.567 0.270 13.103 1.00 0.00 C ATOM 2454 CG GLN B 182 8.301 0.958 12.546 1.00 0.00 C ATOM 2455 CD GLN B 182 7.362 1.544 13.600 1.00 0.00 C ATOM 2456 OE1 GLN B 182 7.758 2.134 14.599 1.00 0.00 O ATOM 2457 NE2 GLN B 182 6.065 1.433 13.404 1.00 0.00 N ATOM 0 H GLN B 182 8.649 -1.454 11.535 1.00 0.00 H new ATOM 0 HA GLN B 182 10.327 -1.588 13.881 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.904 0.819 13.983 1.00 0.00 H new ATOM 0 HB3 GLN B 182 10.360 0.343 12.359 1.00 0.00 H new ATOM 0 HG2 GLN B 182 8.608 1.757 11.871 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.746 0.234 11.950 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.714 0.946 12.579 1.00 0.00 H new ATOM 0 HE22 GLN B 182 5.411 1.834 14.077 1.00 0.00 H new