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: B 168 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 170 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.39) USER MOD Set 2.1: A 68 SER OG : rot 180:sc= -0.0137 USER MOD Set 2.2: A 70 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.12) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0158) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 130:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -58:sc= 0.912 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= 1.93 (180deg=1.31) USER MOD Single : A 71 GLN : amide:sc= 1.73 K(o=1.7,f=-4.4!) USER MOD Single : A 73 MET CE :methyl 179:sc= -0.295 (180deg=-0.297) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -113:sc= 1.01 (180deg=-0.0266) USER MOD Single : A 81 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0769 X(o=-0.077,f=-0.5) 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=-0.00058) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 157 LYS NZ :NH3+ 151:sc= 1.09 (180deg=0.276) USER MOD Single : B 160 TYR OH : rot 150:sc= 0 USER MOD Single : B 162 SER OG : rot -82:sc= 0.819 USER MOD Single : B 165 SER OG : rot 180:sc= 0 USER MOD Single : B 169 LYS NZ :NH3+ 153:sc= 2.12 (180deg=1.13) USER MOD Single : B 171 GLN : amide:sc= 2.01 K(o=2,f=-4.6!) USER MOD Single : B 173 MET CE :methyl -169:sc= -0.134 (180deg=-0.269) USER MOD Single : B 178 LYS NZ :NH3+ 172:sc= 2.49 (180deg=2.41) USER MOD Single : B 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : B 182 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -8.127 -7.410 7.677 1.00 0.00 N ATOM 133 CA GLU A 11 -8.231 -6.516 6.516 1.00 0.00 C ATOM 134 C GLU A 11 -7.645 -7.075 5.208 1.00 0.00 C ATOM 135 O GLU A 11 -8.197 -6.799 4.148 1.00 0.00 O ATOM 136 CB GLU A 11 -7.697 -5.109 6.852 1.00 0.00 C ATOM 137 CG GLU A 11 -6.204 -4.971 7.188 1.00 0.00 C ATOM 138 CD GLU A 11 -5.763 -5.610 8.525 1.00 0.00 C ATOM 139 OE1 GLU A 11 -6.603 -5.786 9.442 1.00 0.00 O ATOM 140 OE2 GLU A 11 -4.559 -5.936 8.671 1.00 0.00 O1- ATOM 0 HA GLU A 11 -9.297 -6.437 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.911 -4.458 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.268 -4.728 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.625 -5.420 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.951 -3.911 7.210 1.00 0.00 H new ATOM 147 N LEU A 12 -6.605 -7.919 5.242 1.00 0.00 N ATOM 148 CA LEU A 12 -6.054 -8.550 4.030 1.00 0.00 C ATOM 149 C LEU A 12 -7.082 -9.478 3.356 1.00 0.00 C ATOM 150 O LEU A 12 -7.142 -9.536 2.126 1.00 0.00 O ATOM 151 CB LEU A 12 -4.757 -9.321 4.369 1.00 0.00 C ATOM 152 CG LEU A 12 -3.455 -8.503 4.470 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.043 -7.905 3.122 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.518 -7.371 5.492 1.00 0.00 C ATOM 0 H LEU A 12 -6.124 -8.183 6.102 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.816 -7.759 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.908 -9.834 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.614 -10.091 3.611 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.712 -9.227 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.120 -7.337 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.884 -8.707 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.831 -7.244 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.566 -6.841 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.315 -6.679 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.718 -7.784 6.481 1.00 0.00 H new ATOM 166 N SER A 13 -7.910 -10.176 4.139 1.00 0.00 N ATOM 167 CA SER A 13 -9.024 -10.997 3.637 1.00 0.00 C ATOM 168 C SER A 13 -10.226 -10.147 3.204 1.00 0.00 C ATOM 169 O SER A 13 -10.849 -10.439 2.183 1.00 0.00 O ATOM 170 CB SER A 13 -9.464 -12.011 4.704 1.00 0.00 C ATOM 171 OG SER A 13 -8.375 -12.816 5.135 1.00 0.00 O ATOM 0 H SER A 13 -7.827 -10.189 5.156 1.00 0.00 H new ATOM 0 HA SER A 13 -8.658 -11.525 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.888 -11.482 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.251 -12.647 4.300 1.00 0.00 H new ATOM 0 HG SER A 13 -8.686 -13.450 5.815 1.00 0.00 H new ATOM 177 N GLU A 14 -10.545 -9.082 3.946 1.00 0.00 N ATOM 178 CA GLU A 14 -11.682 -8.203 3.654 1.00 0.00 C ATOM 179 C GLU A 14 -11.514 -7.436 2.333 1.00 0.00 C ATOM 180 O GLU A 14 -12.417 -7.459 1.493 1.00 0.00 O ATOM 181 CB GLU A 14 -11.890 -7.237 4.835 1.00 0.00 C ATOM 182 CG GLU A 14 -13.046 -6.232 4.677 1.00 0.00 C ATOM 183 CD GLU A 14 -14.430 -6.880 4.452 1.00 0.00 C ATOM 184 OE1 GLU A 14 -15.319 -6.219 3.861 1.00 0.00 O ATOM 185 OE2 GLU A 14 -14.658 -8.032 4.894 1.00 0.00 O1- ATOM 0 H GLU A 14 -10.017 -8.803 4.773 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.568 -8.826 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.064 -7.825 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.967 -6.680 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.092 -5.607 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.826 -5.573 3.837 1.00 0.00 H new ATOM 192 N ILE A 15 -10.343 -6.824 2.108 1.00 0.00 N ATOM 193 CA ILE A 15 -9.996 -6.078 0.880 1.00 0.00 C ATOM 194 C ILE A 15 -9.968 -6.969 -0.383 1.00 0.00 C ATOM 195 O ILE A 15 -10.197 -6.488 -1.494 1.00 0.00 O ATOM 196 CB ILE A 15 -8.660 -5.328 1.109 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.767 -4.228 2.193 1.00 0.00 C ATOM 198 CG2 ILE A 15 -8.089 -4.703 -0.173 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.892 -3.209 2.001 1.00 0.00 C ATOM 0 H ILE A 15 -9.586 -6.832 2.792 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.783 -5.350 0.683 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.975 -6.103 1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.901 -4.711 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.819 -3.691 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.153 -4.193 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.905 -5.486 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.803 -3.986 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.872 -2.487 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.754 -2.689 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.853 -3.724 1.995 1.00 0.00 H new ATOM 211 N GLU A 16 -9.735 -8.275 -0.233 1.00 0.00 N ATOM 212 CA GLU A 16 -9.868 -9.256 -1.330 1.00 0.00 C ATOM 213 C GLU A 16 -11.313 -9.761 -1.543 1.00 0.00 C ATOM 214 O GLU A 16 -11.627 -10.276 -2.617 1.00 0.00 O ATOM 215 CB GLU A 16 -8.918 -10.442 -1.056 1.00 0.00 C ATOM 216 CG GLU A 16 -7.435 -10.088 -1.263 1.00 0.00 C ATOM 217 CD GLU A 16 -7.007 -10.204 -2.738 1.00 0.00 C ATOM 218 OE1 GLU A 16 -7.497 -9.421 -3.592 1.00 0.00 O ATOM 219 OE2 GLU A 16 -6.165 -11.089 -3.037 1.00 0.00 O1- ATOM 0 H GLU A 16 -9.447 -8.690 0.653 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.596 -8.746 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.063 -10.787 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.183 -11.271 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.254 -9.072 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.818 -10.749 -0.655 1.00 0.00 H new ATOM 226 N GLY A 17 -12.203 -9.610 -0.554 1.00 0.00 N ATOM 227 CA GLY A 17 -13.605 -10.041 -0.612 1.00 0.00 C ATOM 228 C GLY A 17 -14.565 -9.000 -1.205 1.00 0.00 C ATOM 229 O GLY A 17 -15.507 -9.360 -1.921 1.00 0.00 O ATOM 0 H GLY A 17 -11.960 -9.172 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.667 -10.954 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.937 -10.291 0.395 1.00 0.00 H new ATOM 233 N LEU A 18 -14.324 -7.711 -0.933 1.00 0.00 N ATOM 234 CA LEU A 18 -15.077 -6.569 -1.483 1.00 0.00 C ATOM 235 C LEU A 18 -14.754 -6.292 -2.968 1.00 0.00 C ATOM 236 O LEU A 18 -13.854 -6.917 -3.546 1.00 0.00 O ATOM 237 CB LEU A 18 -14.882 -5.359 -0.543 1.00 0.00 C ATOM 238 CG LEU A 18 -13.462 -4.802 -0.346 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.873 -4.107 -1.568 1.00 0.00 C ATOM 240 CD2 LEU A 18 -13.494 -3.784 0.796 1.00 0.00 C ATOM 0 H LEU A 18 -13.575 -7.421 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.141 -6.806 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.508 -4.547 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.268 -5.636 0.438 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.828 -5.664 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.871 -3.748 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.821 -4.812 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.505 -3.264 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.494 -3.378 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.179 -2.975 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.832 -4.273 1.710 1.00 0.00 H new ATOM 252 N GLN A 19 -15.486 -5.363 -3.593 1.00 0.00 N ATOM 253 CA GLN A 19 -15.322 -4.992 -5.010 1.00 0.00 C ATOM 254 C GLN A 19 -14.927 -3.513 -5.218 1.00 0.00 C ATOM 255 O GLN A 19 -14.885 -2.724 -4.277 1.00 0.00 O ATOM 256 CB GLN A 19 -16.568 -5.405 -5.815 1.00 0.00 C ATOM 257 CG GLN A 19 -17.843 -4.609 -5.493 1.00 0.00 C ATOM 258 CD GLN A 19 -18.949 -5.526 -4.988 1.00 0.00 C ATOM 259 OE1 GLN A 19 -19.775 -6.045 -5.736 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.990 -5.773 -3.700 1.00 0.00 N ATOM 0 H GLN A 19 -16.223 -4.837 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.471 -5.552 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.348 -5.296 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.763 -6.462 -5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.622 -3.852 -4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.182 -4.083 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.306 -5.344 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.706 -6.394 -3.322 1.00 0.00 H new ATOM 269 N ASP A 20 -14.629 -3.126 -6.461 1.00 0.00 N ATOM 270 CA ASP A 20 -14.110 -1.790 -6.815 1.00 0.00 C ATOM 271 C ASP A 20 -15.060 -0.640 -6.436 1.00 0.00 C ATOM 272 O ASP A 20 -14.602 0.465 -6.139 1.00 0.00 O ATOM 273 CB ASP A 20 -13.790 -1.717 -8.319 1.00 0.00 C ATOM 274 CG ASP A 20 -12.768 -2.745 -8.835 1.00 0.00 C ATOM 275 OD1 ASP A 20 -12.676 -2.907 -10.076 1.00 0.00 O ATOM 276 OD2 ASP A 20 -12.034 -3.376 -8.030 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.742 -3.739 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.201 -1.658 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.718 -1.844 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.418 -0.718 -8.544 1.00 0.00 H new ATOM 281 N ASP A 21 -16.375 -0.890 -6.402 1.00 0.00 N ATOM 282 CA ASP A 21 -17.376 0.073 -5.920 1.00 0.00 C ATOM 283 C ASP A 21 -17.235 0.363 -4.414 1.00 0.00 C ATOM 284 O ASP A 21 -17.463 1.492 -3.968 1.00 0.00 O ATOM 285 CB ASP A 21 -18.800 -0.441 -6.229 1.00 0.00 C ATOM 286 CG ASP A 21 -19.112 -0.642 -7.726 1.00 0.00 C ATOM 287 OD1 ASP A 21 -20.044 -1.423 -8.035 1.00 0.00 O ATOM 288 OD2 ASP A 21 -18.471 -0.005 -8.598 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.779 -1.774 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.201 1.010 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.947 -1.389 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.522 0.263 -5.815 1.00 0.00 H new ATOM 293 N ASP A 22 -16.813 -0.632 -3.619 1.00 0.00 N ATOM 294 CA ASP A 22 -16.528 -0.486 -2.185 1.00 0.00 C ATOM 295 C ASP A 22 -15.181 0.216 -1.945 1.00 0.00 C ATOM 296 O ASP A 22 -15.075 1.052 -1.042 1.00 0.00 O ATOM 297 CB ASP A 22 -16.541 -1.858 -1.491 1.00 0.00 C ATOM 298 CG ASP A 22 -17.782 -2.713 -1.798 1.00 0.00 C ATOM 299 OD1 ASP A 22 -17.610 -3.909 -2.132 1.00 0.00 O ATOM 300 OD2 ASP A 22 -18.931 -2.208 -1.687 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.657 -1.580 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.312 0.137 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.651 -2.411 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.476 -1.707 -0.413 1.00 0.00 H new ATOM 305 N LEU A 23 -14.171 -0.061 -2.787 1.00 0.00 N ATOM 306 CA LEU A 23 -12.906 0.684 -2.793 1.00 0.00 C ATOM 307 C LEU A 23 -13.150 2.173 -3.090 1.00 0.00 C ATOM 308 O LEU A 23 -12.683 3.021 -2.335 1.00 0.00 O ATOM 309 CB LEU A 23 -11.908 0.077 -3.796 1.00 0.00 C ATOM 310 CG LEU A 23 -11.435 -1.353 -3.465 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.570 -1.932 -4.585 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.582 -1.381 -2.197 1.00 0.00 C ATOM 0 H LEU A 23 -14.211 -0.807 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.466 0.605 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.368 0.071 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.035 0.727 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.343 -1.942 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.255 -2.940 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.146 -1.966 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.691 -1.303 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.266 -2.404 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.704 -0.751 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.167 -1.008 -1.356 1.00 0.00 H new ATOM 324 N ALA A 24 -13.937 2.506 -4.118 1.00 0.00 N ATOM 325 CA ALA A 24 -14.305 3.889 -4.424 1.00 0.00 C ATOM 326 C ALA A 24 -15.096 4.572 -3.287 1.00 0.00 C ATOM 327 O ALA A 24 -14.881 5.762 -3.027 1.00 0.00 O ATOM 328 CB ALA A 24 -15.087 3.914 -5.736 1.00 0.00 C ATOM 0 H ALA A 24 -14.336 1.822 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.387 4.467 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.366 4.940 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.467 3.512 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.987 3.307 -5.635 1.00 0.00 H new ATOM 334 N ALA A 25 -15.970 3.841 -2.586 1.00 0.00 N ATOM 335 CA ALA A 25 -16.727 4.372 -1.447 1.00 0.00 C ATOM 336 C ALA A 25 -15.833 4.772 -0.253 1.00 0.00 C ATOM 337 O ALA A 25 -16.095 5.798 0.379 1.00 0.00 O ATOM 338 CB ALA A 25 -17.794 3.346 -1.040 1.00 0.00 C ATOM 0 H ALA A 25 -16.173 2.863 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.207 5.298 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.364 3.730 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.466 3.168 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.311 2.411 -0.758 1.00 0.00 H new ATOM 344 N LEU A 26 -14.778 3.997 0.056 1.00 0.00 N ATOM 345 CA LEU A 26 -13.885 4.255 1.201 1.00 0.00 C ATOM 346 C LEU A 26 -12.671 5.151 0.858 1.00 0.00 C ATOM 347 O LEU A 26 -12.211 5.904 1.718 1.00 0.00 O ATOM 348 CB LEU A 26 -13.551 2.924 1.916 1.00 0.00 C ATOM 349 CG LEU A 26 -12.415 2.078 1.311 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.085 2.370 2.016 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.682 0.581 1.488 1.00 0.00 C ATOM 0 H LEU A 26 -14.519 3.171 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.418 4.871 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.293 3.149 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.454 2.314 1.938 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.366 2.338 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.297 1.761 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.837 3.425 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.175 2.131 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.862 0.011 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.760 0.348 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.614 0.316 0.990 1.00 0.00 H new ATOM 363 N LEU A 27 -12.178 5.133 -0.390 1.00 0.00 N ATOM 364 CA LEU A 27 -11.147 6.060 -0.898 1.00 0.00 C ATOM 365 C LEU A 27 -11.722 7.463 -1.193 1.00 0.00 C ATOM 366 O LEU A 27 -11.067 8.471 -0.918 1.00 0.00 O ATOM 367 CB LEU A 27 -10.504 5.477 -2.177 1.00 0.00 C ATOM 368 CG LEU A 27 -9.328 4.502 -1.972 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.503 3.456 -0.874 1.00 0.00 C ATOM 370 CD2 LEU A 27 -9.049 3.735 -3.266 1.00 0.00 C ATOM 0 H LEU A 27 -12.489 4.461 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.392 6.172 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.279 4.962 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.156 6.307 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.510 5.154 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.613 2.829 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.650 3.955 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.371 2.836 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.216 3.049 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.936 3.170 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.796 4.439 -4.059 1.00 0.00 H new ATOM 382 N GLY A 28 -12.938 7.531 -1.746 1.00 0.00 N ATOM 383 CA GLY A 28 -13.641 8.784 -2.038 1.00 0.00 C ATOM 384 C GLY A 28 -12.908 9.654 -3.067 1.00 0.00 C ATOM 385 O GLY A 28 -12.551 9.185 -4.151 1.00 0.00 O ATOM 0 H GLY A 28 -13.470 6.701 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.640 8.556 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.765 9.349 -1.114 1.00 0.00 H new ATOM 389 N LYS A 29 -12.647 10.925 -2.727 1.00 0.00 N ATOM 390 CA LYS A 29 -11.909 11.884 -3.578 1.00 0.00 C ATOM 391 C LYS A 29 -10.464 11.445 -3.870 1.00 0.00 C ATOM 392 O LYS A 29 -9.910 11.798 -4.912 1.00 0.00 O ATOM 393 CB LYS A 29 -11.957 13.268 -2.899 1.00 0.00 C ATOM 394 CG LYS A 29 -11.431 14.450 -3.731 1.00 0.00 C ATOM 395 CD LYS A 29 -12.216 14.680 -5.035 1.00 0.00 C ATOM 396 CE LYS A 29 -11.768 15.943 -5.786 1.00 0.00 C ATOM 397 NZ LYS A 29 -12.154 17.191 -5.080 1.00 0.00 N1+ ATOM 0 H LYS A 29 -12.946 11.327 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.393 11.927 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.990 13.478 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.382 13.217 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.472 15.356 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.383 14.276 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.093 13.814 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.279 14.758 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.686 15.921 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.207 15.943 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.920 18.012 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.176 17.180 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.636 17.256 -4.181 1.00 0.00 H new ATOM 411 N GLU A 30 -9.872 10.644 -2.983 1.00 0.00 N ATOM 412 CA GLU A 30 -8.518 10.088 -3.123 1.00 0.00 C ATOM 413 C GLU A 30 -8.449 8.844 -4.034 1.00 0.00 C ATOM 414 O GLU A 30 -7.366 8.284 -4.232 1.00 0.00 O ATOM 415 CB GLU A 30 -7.914 9.784 -1.736 1.00 0.00 C ATOM 416 CG GLU A 30 -8.000 10.936 -0.718 1.00 0.00 C ATOM 417 CD GLU A 30 -7.561 12.299 -1.298 1.00 0.00 C ATOM 418 OE1 GLU A 30 -8.290 13.300 -1.099 1.00 0.00 O ATOM 419 OE2 GLU A 30 -6.486 12.380 -1.938 1.00 0.00 O1- ATOM 0 H GLU A 30 -10.332 10.353 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.923 10.855 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.421 8.913 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.866 9.512 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.025 11.016 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.376 10.698 0.143 1.00 0.00 H new ATOM 426 N PHE A 31 -9.572 8.405 -4.615 1.00 0.00 N ATOM 427 CA PHE A 31 -9.611 7.301 -5.584 1.00 0.00 C ATOM 428 C PHE A 31 -8.764 7.607 -6.839 1.00 0.00 C ATOM 429 O PHE A 31 -8.600 8.765 -7.238 1.00 0.00 O ATOM 430 CB PHE A 31 -11.068 6.973 -5.931 1.00 0.00 C ATOM 431 CG PHE A 31 -11.248 5.767 -6.837 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.347 5.935 -8.234 1.00 0.00 C ATOM 433 CD2 PHE A 31 -11.332 4.479 -6.280 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.510 4.813 -9.065 1.00 0.00 C ATOM 435 CE2 PHE A 31 -11.526 3.363 -7.111 1.00 0.00 C ATOM 436 CZ PHE A 31 -11.608 3.528 -8.505 1.00 0.00 C ATOM 0 H PHE A 31 -10.489 8.810 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.161 6.419 -5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.618 6.801 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.517 7.842 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.298 6.924 -8.665 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.247 4.347 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.560 4.939 -10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.612 2.377 -6.679 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.746 2.668 -9.144 1.00 0.00 H new ATOM 446 N ILE A 32 -8.199 6.556 -7.442 1.00 0.00 N ATOM 447 CA ILE A 32 -7.223 6.660 -8.538 1.00 0.00 C ATOM 448 C ILE A 32 -7.808 7.330 -9.800 1.00 0.00 C ATOM 449 O ILE A 32 -8.981 7.138 -10.137 1.00 0.00 O ATOM 450 CB ILE A 32 -6.603 5.267 -8.825 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.199 5.331 -9.461 1.00 0.00 C ATOM 452 CG2 ILE A 32 -7.499 4.410 -9.737 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.126 5.957 -8.564 1.00 0.00 C ATOM 0 H ILE A 32 -8.409 5.593 -7.180 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.422 7.326 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.517 4.808 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.888 4.321 -9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.259 5.902 -10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.024 3.444 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.466 4.258 -9.258 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.642 4.920 -10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.171 5.962 -9.089 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.410 6.980 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.033 5.375 -7.647 1.00 0.00 H new ATOM 722 N TRP A 56 6.330 -13.659 8.177 1.00 0.00 N ATOM 723 CA TRP A 56 5.466 -12.488 7.965 1.00 0.00 C ATOM 724 C TRP A 56 6.003 -11.570 6.860 1.00 0.00 C ATOM 725 O TRP A 56 5.221 -11.021 6.087 1.00 0.00 O ATOM 726 CB TRP A 56 5.336 -11.718 9.296 1.00 0.00 C ATOM 727 CG TRP A 56 6.593 -11.130 9.874 1.00 0.00 C ATOM 728 CD1 TRP A 56 7.365 -11.712 10.818 1.00 0.00 C ATOM 729 CD2 TRP A 56 7.264 -9.866 9.535 1.00 0.00 C ATOM 730 NE1 TRP A 56 8.465 -10.917 11.078 1.00 0.00 N ATOM 731 CE2 TRP A 56 8.468 -9.773 10.306 1.00 0.00 C ATOM 732 CE3 TRP A 56 6.984 -8.796 8.656 1.00 0.00 C ATOM 733 CZ2 TRP A 56 9.356 -8.697 10.193 1.00 0.00 C ATOM 734 CZ3 TRP A 56 7.865 -7.701 8.533 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.045 -7.655 9.296 1.00 0.00 C ATOM 0 HA TRP A 56 4.486 -12.834 7.636 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.620 -10.909 9.150 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.907 -12.393 10.037 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.154 -12.657 11.297 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.188 -11.148 11.759 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.079 -8.817 8.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.261 -8.666 10.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.632 -6.896 7.851 1.00 0.00 H new ATOM 0 HH2 TRP A 56 9.717 -6.816 9.194 1.00 0.00 H new ATOM 746 N LYS A 57 7.331 -11.420 6.768 1.00 0.00 N ATOM 747 CA LYS A 57 8.030 -10.527 5.841 1.00 0.00 C ATOM 748 C LYS A 57 7.865 -10.979 4.396 1.00 0.00 C ATOM 749 O LYS A 57 7.455 -10.187 3.550 1.00 0.00 O ATOM 750 CB LYS A 57 9.500 -10.465 6.276 1.00 0.00 C ATOM 751 CG LYS A 57 10.320 -9.413 5.516 1.00 0.00 C ATOM 752 CD LYS A 57 11.759 -9.347 6.045 1.00 0.00 C ATOM 753 CE LYS A 57 11.796 -8.702 7.441 1.00 0.00 C ATOM 754 NZ LYS A 57 13.124 -8.852 8.082 1.00 0.00 N1+ ATOM 0 H LYS A 57 7.973 -11.941 7.365 1.00 0.00 H new ATOM 0 HA LYS A 57 7.600 -9.526 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.546 -10.248 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.956 -11.444 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.331 -9.654 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.847 -8.436 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.181 -10.351 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.379 -8.772 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.550 -7.643 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.034 -9.159 8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.109 -8.405 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.348 -9.862 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.848 -8.394 7.492 1.00 0.00 H new ATOM 768 N ASP A 58 8.129 -12.260 4.126 1.00 0.00 N ATOM 769 CA ASP A 58 7.891 -12.878 2.814 1.00 0.00 C ATOM 770 C ASP A 58 6.405 -12.854 2.413 1.00 0.00 C ATOM 771 O ASP A 58 6.065 -12.396 1.319 1.00 0.00 O ATOM 772 CB ASP A 58 8.391 -14.336 2.785 1.00 0.00 C ATOM 773 CG ASP A 58 9.915 -14.535 2.760 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.331 -15.720 2.701 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.696 -13.551 2.736 1.00 0.00 O1- ATOM 0 H ASP A 58 8.517 -12.904 4.815 1.00 0.00 H new ATOM 0 HA ASP A 58 8.452 -12.281 2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.993 -14.851 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.968 -14.825 1.907 1.00 0.00 H new ATOM 780 N ASP A 59 5.511 -13.324 3.295 1.00 0.00 N ATOM 781 CA ASP A 59 4.079 -13.489 3.005 1.00 0.00 C ATOM 782 C ASP A 59 3.379 -12.148 2.708 1.00 0.00 C ATOM 783 O ASP A 59 2.690 -12.010 1.694 1.00 0.00 O ATOM 784 CB ASP A 59 3.422 -14.213 4.192 1.00 0.00 C ATOM 785 CG ASP A 59 1.945 -14.572 3.968 1.00 0.00 C ATOM 786 OD1 ASP A 59 1.181 -14.606 4.967 1.00 0.00 O ATOM 787 OD2 ASP A 59 1.539 -14.868 2.820 1.00 0.00 O1- ATOM 0 H ASP A 59 5.765 -13.604 4.242 1.00 0.00 H new ATOM 0 HA ASP A 59 3.971 -14.086 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.979 -15.126 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.501 -13.582 5.077 1.00 0.00 H new ATOM 792 N TYR A 60 3.596 -11.142 3.563 1.00 0.00 N ATOM 793 CA TYR A 60 3.005 -9.809 3.415 1.00 0.00 C ATOM 794 C TYR A 60 3.519 -9.090 2.160 1.00 0.00 C ATOM 795 O TYR A 60 2.720 -8.678 1.320 1.00 0.00 O ATOM 796 CB TYR A 60 3.289 -9.001 4.686 1.00 0.00 C ATOM 797 CG TYR A 60 2.628 -7.636 4.750 1.00 0.00 C ATOM 798 CD1 TYR A 60 1.271 -7.532 5.101 1.00 0.00 C ATOM 799 CD2 TYR A 60 3.388 -6.471 4.527 1.00 0.00 C ATOM 800 CE1 TYR A 60 0.666 -6.266 5.231 1.00 0.00 C ATOM 801 CE2 TYR A 60 2.790 -5.203 4.663 1.00 0.00 C ATOM 802 CZ TYR A 60 1.428 -5.100 5.019 1.00 0.00 C ATOM 803 OH TYR A 60 0.849 -3.881 5.174 1.00 0.00 O ATOM 0 H TYR A 60 4.193 -11.232 4.385 1.00 0.00 H new ATOM 0 HA TYR A 60 1.928 -9.909 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.964 -9.584 5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.367 -8.869 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.690 -8.426 5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.429 -6.550 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.379 -6.190 5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.373 -4.310 4.495 1.00 0.00 H new ATOM 0 HH TYR A 60 1.410 -3.324 5.753 1.00 0.00 H new ATOM 813 N LEU A 61 4.844 -9.004 1.968 1.00 0.00 N ATOM 814 CA LEU A 61 5.436 -8.306 0.820 1.00 0.00 C ATOM 815 C LEU A 61 5.072 -8.970 -0.522 1.00 0.00 C ATOM 816 O LEU A 61 4.788 -8.276 -1.496 1.00 0.00 O ATOM 817 CB LEU A 61 6.957 -8.228 1.039 1.00 0.00 C ATOM 818 CG LEU A 61 7.717 -7.366 0.014 1.00 0.00 C ATOM 819 CD1 LEU A 61 7.301 -5.895 0.054 1.00 0.00 C ATOM 820 CD2 LEU A 61 9.216 -7.438 0.304 1.00 0.00 C ATOM 0 H LEU A 61 5.531 -9.414 2.601 1.00 0.00 H new ATOM 0 HA LEU A 61 5.025 -7.298 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.146 -7.831 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.365 -9.239 1.016 1.00 0.00 H new ATOM 0 HG LEU A 61 7.476 -7.763 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.869 -5.336 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.236 -5.812 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.500 -5.487 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.756 -6.829 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.410 -7.065 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.552 -8.472 0.230 1.00 0.00 H new ATOM 832 N SER A 62 5.015 -10.309 -0.559 1.00 0.00 N ATOM 833 CA SER A 62 4.586 -11.070 -1.738 1.00 0.00 C ATOM 834 C SER A 62 3.120 -10.790 -2.102 1.00 0.00 C ATOM 835 O SER A 62 2.822 -10.453 -3.254 1.00 0.00 O ATOM 836 CB SER A 62 4.812 -12.571 -1.508 1.00 0.00 C ATOM 837 OG SER A 62 4.404 -13.346 -2.628 1.00 0.00 O ATOM 0 H SER A 62 5.267 -10.897 0.235 1.00 0.00 H new ATOM 0 HA SER A 62 5.193 -10.744 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.868 -12.752 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.259 -12.890 -0.625 1.00 0.00 H new ATOM 0 HG SER A 62 4.565 -14.295 -2.445 1.00 0.00 H new ATOM 843 N ARG A 63 2.198 -10.838 -1.125 1.00 0.00 N ATOM 844 CA ARG A 63 0.767 -10.583 -1.362 1.00 0.00 C ATOM 845 C ARG A 63 0.480 -9.125 -1.744 1.00 0.00 C ATOM 846 O ARG A 63 -0.290 -8.887 -2.673 1.00 0.00 O ATOM 847 CB ARG A 63 -0.054 -11.057 -0.144 1.00 0.00 C ATOM 848 CG ARG A 63 -1.582 -11.079 -0.355 1.00 0.00 C ATOM 849 CD ARG A 63 -1.990 -11.909 -1.583 1.00 0.00 C ATOM 850 NE ARG A 63 -3.447 -12.126 -1.677 1.00 0.00 N ATOM 851 CZ ARG A 63 -4.147 -13.121 -1.166 1.00 0.00 C ATOM 852 NH1 ARG A 63 -3.621 -14.020 -0.380 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -5.406 -13.230 -1.453 1.00 0.00 N ATOM 0 H ARG A 63 2.422 -11.054 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 63 0.454 -11.164 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.274 -12.060 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.171 -10.407 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.063 -11.488 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.945 -10.058 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.645 -11.405 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.487 -12.875 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.974 -11.425 -2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.631 -13.970 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.200 -14.773 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.849 -12.549 -2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.954 -13.996 -1.062 1.00 0.00 H new ATOM 867 N LEU A 64 1.155 -8.149 -1.135 1.00 0.00 N ATOM 868 CA LEU A 64 1.029 -6.734 -1.511 1.00 0.00 C ATOM 869 C LEU A 64 1.465 -6.464 -2.965 1.00 0.00 C ATOM 870 O LEU A 64 0.895 -5.581 -3.609 1.00 0.00 O ATOM 871 CB LEU A 64 1.827 -5.858 -0.520 1.00 0.00 C ATOM 872 CG LEU A 64 0.961 -5.289 0.615 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.458 -6.330 1.615 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.751 -4.225 1.373 1.00 0.00 C ATOM 0 H LEU A 64 1.805 -8.314 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.027 -6.471 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.635 -6.450 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.290 -5.034 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 64 0.078 -4.873 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.144 -5.839 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.150 -7.070 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.309 -6.824 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.137 -3.821 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.653 -4.671 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.028 -3.422 0.690 1.00 0.00 H new ATOM 886 N SER A 65 2.400 -7.243 -3.522 1.00 0.00 N ATOM 887 CA SER A 65 2.770 -7.144 -4.942 1.00 0.00 C ATOM 888 C SER A 65 1.688 -7.666 -5.904 1.00 0.00 C ATOM 889 O SER A 65 1.632 -7.231 -7.058 1.00 0.00 O ATOM 890 CB SER A 65 4.138 -7.782 -5.209 1.00 0.00 C ATOM 891 OG SER A 65 4.063 -9.173 -5.478 1.00 0.00 O ATOM 0 H SER A 65 2.919 -7.955 -3.007 1.00 0.00 H new ATOM 0 HA SER A 65 2.851 -6.079 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.607 -7.280 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.782 -7.620 -4.345 1.00 0.00 H new ATOM 0 HG SER A 65 3.639 -9.630 -4.722 1.00 0.00 H new ATOM 897 N ARG A 66 0.787 -8.549 -5.444 1.00 0.00 N ATOM 898 CA ARG A 66 -0.365 -9.074 -6.202 1.00 0.00 C ATOM 899 C ARG A 66 -1.579 -8.135 -6.200 1.00 0.00 C ATOM 900 O ARG A 66 -2.264 -8.019 -7.219 1.00 0.00 O ATOM 901 CB ARG A 66 -0.773 -10.448 -5.639 1.00 0.00 C ATOM 902 CG ARG A 66 0.298 -11.536 -5.859 1.00 0.00 C ATOM 903 CD ARG A 66 -0.018 -12.831 -5.098 1.00 0.00 C ATOM 904 NE ARG A 66 -1.322 -13.409 -5.473 1.00 0.00 N ATOM 905 CZ ARG A 66 -1.954 -14.405 -4.878 1.00 0.00 C ATOM 906 NH1 ARG A 66 -1.437 -15.046 -3.866 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 -3.128 -14.786 -5.292 1.00 0.00 N ATOM 0 H ARG A 66 0.841 -8.932 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.041 -9.163 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.971 -10.352 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.705 -10.764 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.377 -11.754 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.268 -11.157 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.767 -13.562 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.009 -12.629 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.787 -12.994 -6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.518 -14.782 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.952 -15.811 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.568 -14.315 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.608 -15.556 -4.826 1.00 0.00 H new ATOM 921 N LEU A 67 -1.853 -7.469 -5.074 1.00 0.00 N ATOM 922 CA LEU A 67 -2.989 -6.540 -4.900 1.00 0.00 C ATOM 923 C LEU A 67 -2.890 -5.282 -5.793 1.00 0.00 C ATOM 924 O LEU A 67 -1.805 -4.827 -6.162 1.00 0.00 O ATOM 925 CB LEU A 67 -3.129 -6.162 -3.408 1.00 0.00 C ATOM 926 CG LEU A 67 -4.100 -7.062 -2.612 1.00 0.00 C ATOM 927 CD1 LEU A 67 -3.693 -8.532 -2.584 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.182 -6.578 -1.168 1.00 0.00 C ATOM 0 H LEU A 67 -1.281 -7.559 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.889 -7.061 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.145 -6.206 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.469 -5.129 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.059 -6.989 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.422 -9.101 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.655 -8.918 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.710 -8.629 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.868 -7.215 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.193 -6.623 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.544 -5.550 -1.149 1.00 0.00 H new ATOM 940 N SER A 68 -4.051 -4.707 -6.127 1.00 0.00 N ATOM 941 CA SER A 68 -4.189 -3.462 -6.909 1.00 0.00 C ATOM 942 C SER A 68 -3.749 -2.207 -6.127 1.00 0.00 C ATOM 943 O SER A 68 -3.741 -2.210 -4.892 1.00 0.00 O ATOM 944 CB SER A 68 -5.651 -3.333 -7.360 1.00 0.00 C ATOM 945 OG SER A 68 -5.861 -2.134 -8.087 1.00 0.00 O ATOM 0 H SER A 68 -4.951 -5.103 -5.855 1.00 0.00 H new ATOM 0 HA SER A 68 -3.524 -3.525 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.920 -4.189 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.306 -3.352 -6.489 1.00 0.00 H new ATOM 0 HG SER A 68 -6.800 -2.079 -8.363 1.00 0.00 H new ATOM 951 N LYS A 69 -3.454 -1.098 -6.821 1.00 0.00 N ATOM 952 CA LYS A 69 -3.189 0.232 -6.223 1.00 0.00 C ATOM 953 C LYS A 69 -4.342 0.692 -5.318 1.00 0.00 C ATOM 954 O LYS A 69 -4.105 1.180 -4.215 1.00 0.00 O ATOM 955 CB LYS A 69 -2.908 1.228 -7.372 1.00 0.00 C ATOM 956 CG LYS A 69 -2.798 2.719 -6.992 1.00 0.00 C ATOM 957 CD LYS A 69 -1.749 3.040 -5.911 1.00 0.00 C ATOM 958 CE LYS A 69 -1.780 4.529 -5.536 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.993 5.376 -6.470 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.390 -1.094 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.316 0.178 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.978 0.932 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.701 1.124 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.560 3.290 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.772 3.063 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.938 2.434 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.756 2.773 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.814 4.874 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.391 4.652 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.341 6.355 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.010 5.354 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.097 5.013 -7.439 1.00 0.00 H new ATOM 973 N ASN A 70 -5.589 0.466 -5.732 1.00 0.00 N ATOM 974 CA ASN A 70 -6.775 0.780 -4.926 1.00 0.00 C ATOM 975 C ASN A 70 -6.867 -0.076 -3.648 1.00 0.00 C ATOM 976 O ASN A 70 -7.184 0.437 -2.573 1.00 0.00 O ATOM 977 CB ASN A 70 -8.030 0.616 -5.798 1.00 0.00 C ATOM 978 CG ASN A 70 -8.006 1.497 -7.033 1.00 0.00 C ATOM 979 OD1 ASN A 70 -7.591 1.106 -8.112 1.00 0.00 O ATOM 980 ND2 ASN A 70 -8.449 2.727 -6.917 1.00 0.00 N ATOM 0 H ASN A 70 -5.809 0.058 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.694 1.813 -4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.122 -0.427 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.913 0.854 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.445 3.349 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.797 3.061 -6.018 1.00 0.00 H new ATOM 987 N GLN A 71 -6.545 -1.369 -3.744 1.00 0.00 N ATOM 988 CA GLN A 71 -6.501 -2.297 -2.602 1.00 0.00 C ATOM 989 C GLN A 71 -5.350 -1.981 -1.628 1.00 0.00 C ATOM 990 O GLN A 71 -5.548 -2.042 -0.414 1.00 0.00 O ATOM 991 CB GLN A 71 -6.367 -3.744 -3.115 1.00 0.00 C ATOM 992 CG GLN A 71 -7.627 -4.268 -3.822 1.00 0.00 C ATOM 993 CD GLN A 71 -7.421 -5.718 -4.256 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.554 -6.026 -5.067 1.00 0.00 O ATOM 995 NE2 GLN A 71 -8.174 -6.660 -3.720 1.00 0.00 N ATOM 0 H GLN A 71 -6.303 -1.811 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.433 -2.177 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.525 -3.799 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.134 -4.398 -2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.484 -4.199 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.850 -3.649 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.897 -6.412 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.033 -7.636 -3.981 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.175 -1.585 -2.138 1.00 0.00 N ATOM 1005 CA LEU A 72 -3.019 -1.158 -1.341 1.00 0.00 C ATOM 1006 C LEU A 72 -3.331 0.085 -0.497 1.00 0.00 C ATOM 1007 O LEU A 72 -2.963 0.132 0.676 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.827 -0.899 -2.279 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.118 -2.184 -2.738 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.343 -1.939 -4.027 1.00 0.00 C ATOM 1011 CD2 LEU A 72 -0.120 -2.648 -1.676 1.00 0.00 C ATOM 0 H LEU A 72 -3.999 -1.552 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.768 -1.956 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.176 -0.353 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.107 -0.258 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.884 -2.942 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.151 -2.860 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.030 -1.617 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.405 -1.164 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.374 -3.559 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.625 -1.870 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.648 -2.847 -0.743 1.00 0.00 H new ATOM 1023 N MET A 73 -4.063 1.054 -1.055 1.00 0.00 N ATOM 1024 CA MET A 73 -4.584 2.190 -0.289 1.00 0.00 C ATOM 1025 C MET A 73 -5.575 1.736 0.798 1.00 0.00 C ATOM 1026 O MET A 73 -5.479 2.172 1.948 1.00 0.00 O ATOM 1027 CB MET A 73 -5.259 3.210 -1.222 1.00 0.00 C ATOM 1028 CG MET A 73 -4.248 3.940 -2.108 1.00 0.00 C ATOM 1029 SD MET A 73 -4.928 5.438 -2.867 1.00 0.00 S ATOM 1030 CE MET A 73 -5.682 4.745 -4.367 1.00 0.00 C ATOM 0 H MET A 73 -4.310 1.073 -2.044 1.00 0.00 H new ATOM 0 HA MET A 73 -3.736 2.665 0.204 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.988 2.698 -1.851 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.809 3.938 -0.625 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.375 4.205 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.906 3.265 -2.892 1.00 0.00 H new ATOM 0 HE1 MET A 73 -6.160 5.543 -4.936 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.911 4.275 -4.978 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.428 4.001 -4.089 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.505 0.837 0.461 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.572 0.415 1.360 1.00 0.00 C ATOM 1042 C ALA A 74 -7.099 -0.460 2.541 1.00 0.00 C ATOM 1043 O ALA A 74 -7.528 -0.234 3.675 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.637 -0.288 0.514 1.00 0.00 C ATOM 0 H ALA A 74 -6.535 0.381 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.984 1.300 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.453 -0.618 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.022 0.404 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.195 -1.151 0.017 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.181 -1.414 2.324 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.635 -2.250 3.410 1.00 0.00 C ATOM 1052 C LEU A 75 -4.807 -1.415 4.395 1.00 0.00 C ATOM 1053 O LEU A 75 -4.891 -1.622 5.607 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.875 -3.467 2.828 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.448 -3.217 2.296 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.378 -3.458 3.367 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.129 -4.170 1.150 1.00 0.00 C ATOM 0 H LEU A 75 -5.798 -1.628 1.403 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.459 -2.656 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.818 -4.232 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.471 -3.881 2.015 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.429 -2.176 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.391 -3.269 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.547 -2.786 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.434 -4.491 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.119 -3.979 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.199 -5.199 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.840 -4.015 0.339 1.00 0.00 H new ATOM 1069 N ALA A 76 -4.070 -0.424 3.887 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.298 0.519 4.694 1.00 0.00 C ATOM 1071 C ALA A 76 -4.205 1.431 5.544 1.00 0.00 C ATOM 1072 O ALA A 76 -3.929 1.659 6.719 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.397 1.318 3.751 1.00 0.00 C ATOM 0 H ALA A 76 -3.993 -0.253 2.884 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.685 -0.026 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.808 2.031 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.728 0.638 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.012 1.855 3.029 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.321 1.907 4.982 1.00 0.00 N ATOM 1080 CA LEU A 77 -6.327 2.687 5.711 1.00 0.00 C ATOM 1081 C LEU A 77 -6.959 1.851 6.843 1.00 0.00 C ATOM 1082 O LEU A 77 -6.991 2.286 8.000 1.00 0.00 O ATOM 1083 CB LEU A 77 -7.360 3.203 4.687 1.00 0.00 C ATOM 1084 CG LEU A 77 -8.254 4.385 5.097 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -9.199 4.095 6.263 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -7.426 5.626 5.416 1.00 0.00 C ATOM 0 H LEU A 77 -5.554 1.760 4.000 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.871 3.544 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.821 3.490 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.010 2.370 4.419 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.881 4.565 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.790 4.984 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.865 3.274 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.617 3.820 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.089 6.442 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.744 5.407 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.852 5.916 4.536 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.387 0.612 6.546 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.993 -0.295 7.539 1.00 0.00 C ATOM 1100 C LYS A 78 -7.042 -0.663 8.681 1.00 0.00 C ATOM 1101 O LYS A 78 -7.452 -0.568 9.841 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.542 -1.563 6.860 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.857 -1.298 6.112 1.00 0.00 C ATOM 1104 CD LYS A 78 -10.496 -2.616 5.634 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.800 -2.386 4.862 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.914 -1.925 5.732 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.323 0.210 5.611 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.819 0.255 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.800 -1.949 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.703 -2.335 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.551 -0.769 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.668 -0.650 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.790 -3.150 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.694 -3.254 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.627 -1.647 4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.092 -3.312 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.769 -1.786 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.101 -2.640 6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.652 -1.026 6.185 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.787 -1.028 8.397 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.835 -1.421 9.452 1.00 0.00 C ATOM 1122 C LEU A 79 -4.460 -0.259 10.392 1.00 0.00 C ATOM 1123 O LEU A 79 -4.167 -0.508 11.566 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.625 -2.181 8.866 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.579 -1.376 8.075 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.536 -0.681 8.955 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.811 -2.327 7.156 1.00 0.00 C ATOM 0 H LEU A 79 -5.404 -1.061 7.452 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.346 -2.130 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.111 -2.677 9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.008 -2.964 8.212 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.136 -0.611 7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.834 -0.135 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.035 0.014 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.996 -1.427 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.067 -1.765 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.312 -3.089 7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.505 -2.806 6.466 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.510 1.000 9.924 1.00 0.00 N ATOM 1140 CA LYS A 80 -4.368 2.207 10.771 1.00 0.00 C ATOM 1141 C LYS A 80 -5.611 2.481 11.627 1.00 0.00 C ATOM 1142 O LYS A 80 -5.483 2.868 12.791 1.00 0.00 O ATOM 1143 CB LYS A 80 -4.086 3.439 9.886 1.00 0.00 C ATOM 1144 CG LYS A 80 -2.692 3.475 9.243 1.00 0.00 C ATOM 1145 CD LYS A 80 -1.551 3.627 10.259 1.00 0.00 C ATOM 1146 CE LYS A 80 -0.202 3.856 9.566 1.00 0.00 C ATOM 1147 NZ LYS A 80 -0.109 5.212 8.962 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.651 1.215 8.937 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.534 2.020 11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.835 3.478 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.214 4.337 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.540 2.558 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.649 4.302 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.765 4.463 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.494 2.733 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.604 3.725 10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.060 3.103 8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.076 5.129 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.940 5.773 9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.754 5.684 9.299 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.806 2.250 11.083 1.00 0.00 N ATOM 1162 CA GLN A 81 -8.080 2.509 11.774 1.00 0.00 C ATOM 1163 C GLN A 81 -8.354 1.503 12.912 1.00 0.00 C ATOM 1164 O GLN A 81 -8.904 1.881 13.949 1.00 0.00 O ATOM 1165 CB GLN A 81 -9.199 2.531 10.722 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.589 2.818 11.318 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.620 3.254 10.273 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -12.429 4.148 10.497 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.637 2.675 9.087 1.00 0.00 N ATOM 0 H GLN A 81 -6.923 1.874 10.142 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.031 3.478 12.271 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.969 3.289 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.223 1.571 10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.951 1.923 11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.498 3.597 12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.975 1.929 8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.312 2.974 8.383 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.935 0.241 12.754 1.00 0.00 N ATOM 1179 CA GLN A 82 -8.099 -0.802 13.778 1.00 0.00 C ATOM 1180 C GLN A 82 -7.007 -0.793 14.869 1.00 0.00 C ATOM 1181 O GLN A 82 -7.286 -1.227 15.985 1.00 0.00 O ATOM 1182 CB GLN A 82 -8.233 -2.176 13.093 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.963 -2.667 12.372 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.983 -3.418 13.277 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -6.342 -4.264 14.085 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.698 -3.140 13.181 1.00 0.00 N ATOM 0 H GLN A 82 -7.470 -0.088 11.908 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.017 -0.581 14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.516 -2.914 13.844 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.048 -2.128 12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.254 -3.320 11.549 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.452 -1.810 11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.376 -2.438 12.514 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.025 -3.627 13.773 1.00 0.00 H new ATOM 1403 N GLU B 111 8.707 8.081 7.952 1.00 0.00 N ATOM 1404 CA GLU B 111 8.844 6.932 7.044 1.00 0.00 C ATOM 1405 C GLU B 111 8.378 7.286 5.622 1.00 0.00 C ATOM 1406 O GLU B 111 9.066 6.985 4.645 1.00 0.00 O ATOM 1407 CB GLU B 111 8.045 5.726 7.575 1.00 0.00 C ATOM 1408 CG GLU B 111 8.399 5.292 9.007 1.00 0.00 C ATOM 1409 CD GLU B 111 9.913 5.136 9.256 1.00 0.00 C ATOM 1410 OE1 GLU B 111 10.400 5.548 10.337 1.00 0.00 O ATOM 1411 OE2 GLU B 111 10.625 4.581 8.386 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.901 6.668 7.001 1.00 0.00 H new ATOM 0 HB2 GLU B 111 6.983 5.968 7.537 1.00 0.00 H new ATOM 0 HB3 GLU B 111 8.204 4.881 6.905 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.999 6.025 9.708 1.00 0.00 H new ATOM 0 HG3 GLU B 111 7.906 4.344 9.221 1.00 0.00 H new ATOM 1418 N LEU B 112 7.250 7.994 5.501 1.00 0.00 N ATOM 1419 CA LEU B 112 6.703 8.486 4.227 1.00 0.00 C ATOM 1420 C LEU B 112 7.684 9.466 3.556 1.00 0.00 C ATOM 1421 O LEU B 112 7.937 9.366 2.355 1.00 0.00 O ATOM 1422 CB LEU B 112 5.345 9.172 4.469 1.00 0.00 C ATOM 1423 CG LEU B 112 4.115 8.284 4.765 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.761 7.394 3.576 1.00 0.00 C ATOM 1425 CD2 LEU B 112 4.254 7.393 6.004 1.00 0.00 C ATOM 0 H LEU B 112 6.676 8.248 6.305 1.00 0.00 H new ATOM 0 HA LEU B 112 6.558 7.637 3.559 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.466 9.861 5.305 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.116 9.774 3.590 1.00 0.00 H new ATOM 0 HG LEU B 112 3.319 9.002 4.962 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.891 6.785 3.823 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.534 8.016 2.711 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.605 6.744 3.344 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.345 6.806 6.134 1.00 0.00 H new ATOM 0 HD22 LEU B 112 5.104 6.722 5.876 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.412 8.016 6.884 1.00 0.00 H new ATOM 1437 N SER B 113 8.280 10.371 4.342 1.00 0.00 N ATOM 1438 CA SER B 113 9.305 11.326 3.902 1.00 0.00 C ATOM 1439 C SER B 113 10.578 10.621 3.402 1.00 0.00 C ATOM 1440 O SER B 113 11.124 10.997 2.361 1.00 0.00 O ATOM 1441 CB SER B 113 9.638 12.278 5.063 1.00 0.00 C ATOM 1442 OG SER B 113 10.604 13.252 4.681 1.00 0.00 O ATOM 0 H SER B 113 8.055 10.462 5.333 1.00 0.00 H new ATOM 0 HA SER B 113 8.906 11.891 3.060 1.00 0.00 H new ATOM 0 HB2 SER B 113 8.729 12.778 5.397 1.00 0.00 H new ATOM 0 HB3 SER B 113 10.015 11.703 5.909 1.00 0.00 H new ATOM 0 HG SER B 113 10.792 13.842 5.441 1.00 0.00 H new ATOM 1448 N GLU B 114 11.019 9.545 4.065 1.00 0.00 N ATOM 1449 CA GLU B 114 12.173 8.751 3.623 1.00 0.00 C ATOM 1450 C GLU B 114 11.893 8.013 2.301 1.00 0.00 C ATOM 1451 O GLU B 114 12.695 8.099 1.371 1.00 0.00 O ATOM 1452 CB GLU B 114 12.616 7.785 4.734 1.00 0.00 C ATOM 1453 CG GLU B 114 13.854 6.977 4.326 1.00 0.00 C ATOM 1454 CD GLU B 114 14.435 6.189 5.512 1.00 0.00 C ATOM 1455 OE1 GLU B 114 14.165 4.965 5.608 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.160 6.776 6.349 1.00 0.00 O1- ATOM 0 H GLU B 114 10.587 9.200 4.922 1.00 0.00 H new ATOM 0 HA GLU B 114 12.996 9.438 3.423 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.833 8.349 5.641 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.799 7.103 4.970 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.590 6.287 3.525 1.00 0.00 H new ATOM 0 HG3 GLU B 114 14.614 7.651 3.929 1.00 0.00 H new ATOM 1463 N ILE B 115 10.736 7.348 2.176 1.00 0.00 N ATOM 1464 CA ILE B 115 10.311 6.639 0.951 1.00 0.00 C ATOM 1465 C ILE B 115 10.109 7.597 -0.246 1.00 0.00 C ATOM 1466 O ILE B 115 10.317 7.211 -1.400 1.00 0.00 O ATOM 1467 CB ILE B 115 9.059 5.774 1.256 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.329 4.607 2.238 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.415 5.199 -0.015 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.500 3.678 1.899 1.00 0.00 C ATOM 0 H ILE B 115 10.055 7.284 2.933 1.00 0.00 H new ATOM 0 HA ILE B 115 11.113 5.970 0.641 1.00 0.00 H new ATOM 0 HB ILE B 115 8.371 6.472 1.733 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.505 5.029 3.227 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.424 4.003 2.305 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.544 4.603 0.256 1.00 0.00 H new ATOM 0 HG22 ILE B 115 8.107 6.015 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE B 115 9.137 4.570 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.583 2.904 2.662 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.326 3.213 0.928 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.424 4.255 1.865 1.00 0.00 H new ATOM 1482 N GLU B 116 9.764 8.863 -0.009 1.00 0.00 N ATOM 1483 CA GLU B 116 9.747 9.920 -1.035 1.00 0.00 C ATOM 1484 C GLU B 116 11.133 10.501 -1.380 1.00 0.00 C ATOM 1485 O GLU B 116 11.324 11.016 -2.486 1.00 0.00 O ATOM 1486 CB GLU B 116 8.805 11.056 -0.588 1.00 0.00 C ATOM 1487 CG GLU B 116 7.321 10.740 -0.819 1.00 0.00 C ATOM 1488 CD GLU B 116 6.924 10.993 -2.287 1.00 0.00 C ATOM 1489 OE1 GLU B 116 6.241 12.011 -2.566 1.00 0.00 O ATOM 1490 OE2 GLU B 116 7.284 10.177 -3.174 1.00 0.00 O1- ATOM 0 H GLU B 116 9.483 9.194 0.914 1.00 0.00 H new ATOM 0 HA GLU B 116 9.388 9.446 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU B 116 8.966 11.257 0.471 1.00 0.00 H new ATOM 0 HB3 GLU B 116 9.064 11.967 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU B 116 7.122 9.700 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.708 11.356 -0.161 1.00 0.00 H new ATOM 1497 N GLY B 117 12.104 10.432 -0.464 1.00 0.00 N ATOM 1498 CA GLY B 117 13.467 10.947 -0.663 1.00 0.00 C ATOM 1499 C GLY B 117 14.367 10.032 -1.507 1.00 0.00 C ATOM 1500 O GLY B 117 15.169 10.516 -2.310 1.00 0.00 O ATOM 0 H GLY B 117 11.965 10.010 0.454 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.408 11.924 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY B 117 13.932 11.098 0.311 1.00 0.00 H new ATOM 1504 N LEU B 118 14.219 8.713 -1.348 1.00 0.00 N ATOM 1505 CA LEU B 118 14.904 7.674 -2.142 1.00 0.00 C ATOM 1506 C LEU B 118 14.270 7.468 -3.539 1.00 0.00 C ATOM 1507 O LEU B 118 13.212 8.027 -3.846 1.00 0.00 O ATOM 1508 CB LEU B 118 14.993 6.397 -1.278 1.00 0.00 C ATOM 1509 CG LEU B 118 13.675 5.728 -0.843 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.976 4.936 -1.937 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.964 4.766 0.308 1.00 0.00 C ATOM 0 H LEU B 118 13.599 8.320 -0.640 1.00 0.00 H new ATOM 0 HA LEU B 118 15.918 7.992 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.576 5.660 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.557 6.641 -0.378 1.00 0.00 H new ATOM 0 HG LEU B 118 13.009 6.543 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU B 118 12.058 4.501 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.734 5.599 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.634 4.140 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU B 118 13.037 4.287 0.623 1.00 0.00 H new ATOM 0 HD22 LEU B 118 14.671 4.005 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU B 118 14.390 5.318 1.145 1.00 0.00 H new ATOM 1523 N GLN B 119 14.923 6.677 -4.399 1.00 0.00 N ATOM 1524 CA GLN B 119 14.497 6.398 -5.784 1.00 0.00 C ATOM 1525 C GLN B 119 14.280 4.898 -6.074 1.00 0.00 C ATOM 1526 O GLN B 119 14.498 4.046 -5.213 1.00 0.00 O ATOM 1527 CB GLN B 119 15.443 7.089 -6.780 1.00 0.00 C ATOM 1528 CG GLN B 119 16.865 6.513 -6.836 1.00 0.00 C ATOM 1529 CD GLN B 119 17.898 7.555 -6.415 1.00 0.00 C ATOM 1530 OE1 GLN B 119 18.450 8.297 -7.226 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.185 7.649 -5.140 1.00 0.00 N ATOM 0 H GLN B 119 15.788 6.198 -4.147 1.00 0.00 H new ATOM 0 HA GLN B 119 13.506 6.831 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.004 7.028 -7.776 1.00 0.00 H new ATOM 0 HB3 GLN B 119 15.506 8.146 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN B 119 16.934 5.643 -6.183 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.082 6.170 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.727 7.034 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN B 119 18.866 8.337 -4.820 1.00 0.00 H new ATOM 1540 N ASP B 120 13.835 4.560 -7.286 1.00 0.00 N ATOM 1541 CA ASP B 120 13.454 3.190 -7.686 1.00 0.00 C ATOM 1542 C ASP B 120 14.583 2.150 -7.551 1.00 0.00 C ATOM 1543 O ASP B 120 14.305 0.983 -7.256 1.00 0.00 O ATOM 1544 CB ASP B 120 12.857 3.180 -9.108 1.00 0.00 C ATOM 1545 CG ASP B 120 13.764 3.668 -10.259 1.00 0.00 C ATOM 1546 OD1 ASP B 120 13.352 3.502 -11.435 1.00 0.00 O ATOM 1547 OD2 ASP B 120 14.865 4.223 -10.029 1.00 0.00 O1- ATOM 0 H ASP B 120 13.725 5.240 -8.038 1.00 0.00 H new ATOM 0 HA ASP B 120 12.691 2.879 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP B 120 12.542 2.161 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP B 120 11.959 3.797 -9.101 1.00 0.00 H new ATOM 1552 N ASP B 121 15.850 2.551 -7.686 1.00 0.00 N ATOM 1553 CA ASP B 121 17.014 1.693 -7.432 1.00 0.00 C ATOM 1554 C ASP B 121 17.140 1.299 -5.945 1.00 0.00 C ATOM 1555 O ASP B 121 17.528 0.179 -5.612 1.00 0.00 O ATOM 1556 CB ASP B 121 18.274 2.434 -7.913 1.00 0.00 C ATOM 1557 CG ASP B 121 19.546 1.563 -7.915 1.00 0.00 C ATOM 1558 OD1 ASP B 121 20.643 2.106 -7.635 1.00 0.00 O ATOM 1559 OD2 ASP B 121 19.472 0.350 -8.236 1.00 0.00 O1- ATOM 0 H ASP B 121 16.101 3.495 -7.979 1.00 0.00 H new ATOM 0 HA ASP B 121 16.890 0.760 -7.982 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.101 2.809 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP B 121 18.440 3.301 -7.274 1.00 0.00 H new ATOM 1564 N ASP B 122 16.767 2.208 -5.036 1.00 0.00 N ATOM 1565 CA ASP B 122 16.730 1.961 -3.585 1.00 0.00 C ATOM 1566 C ASP B 122 15.498 1.137 -3.166 1.00 0.00 C ATOM 1567 O ASP B 122 15.587 0.294 -2.270 1.00 0.00 O ATOM 1568 CB ASP B 122 16.749 3.288 -2.819 1.00 0.00 C ATOM 1569 CG ASP B 122 17.812 4.293 -3.296 1.00 0.00 C ATOM 1570 OD1 ASP B 122 19.012 3.928 -3.364 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.447 5.466 -3.556 1.00 0.00 O1- ATOM 0 H ASP B 122 16.477 3.152 -5.290 1.00 0.00 H new ATOM 0 HA ASP B 122 17.618 1.380 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.767 3.753 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.915 3.079 -1.762 1.00 0.00 H new ATOM 1576 N LEU B 123 14.352 1.333 -3.837 1.00 0.00 N ATOM 1577 CA LEU B 123 13.168 0.482 -3.681 1.00 0.00 C ATOM 1578 C LEU B 123 13.489 -0.960 -4.088 1.00 0.00 C ATOM 1579 O LEU B 123 13.244 -1.882 -3.314 1.00 0.00 O ATOM 1580 CB LEU B 123 11.972 1.035 -4.484 1.00 0.00 C ATOM 1581 CG LEU B 123 11.448 2.391 -3.982 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.404 2.972 -4.936 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.780 2.268 -2.613 1.00 0.00 C ATOM 0 H LEU B 123 14.223 2.092 -4.506 1.00 0.00 H new ATOM 0 HA LEU B 123 12.883 0.485 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.266 1.136 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.159 0.309 -4.450 1.00 0.00 H new ATOM 0 HG LEU B 123 12.320 3.042 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.054 3.930 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU B 123 10.850 3.116 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.562 2.284 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.423 3.247 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.938 1.579 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.502 1.890 -1.889 1.00 0.00 H new ATOM 1595 N ALA B 124 14.123 -1.173 -5.245 1.00 0.00 N ATOM 1596 CA ALA B 124 14.577 -2.496 -5.683 1.00 0.00 C ATOM 1597 C ALA B 124 15.574 -3.153 -4.709 1.00 0.00 C ATOM 1598 O ALA B 124 15.532 -4.371 -4.527 1.00 0.00 O ATOM 1599 CB ALA B 124 15.173 -2.371 -7.088 1.00 0.00 C ATOM 0 H ALA B 124 14.337 -0.428 -5.908 1.00 0.00 H new ATOM 0 HA ALA B 124 13.713 -3.160 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.515 -3.349 -7.426 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.413 -1.995 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA B 124 16.015 -1.680 -7.066 1.00 0.00 H new ATOM 1605 N ALA B 125 16.422 -2.367 -4.038 1.00 0.00 N ATOM 1606 CA ALA B 125 17.372 -2.864 -3.046 1.00 0.00 C ATOM 1607 C ALA B 125 16.712 -3.385 -1.745 1.00 0.00 C ATOM 1608 O ALA B 125 17.289 -4.259 -1.090 1.00 0.00 O ATOM 1609 CB ALA B 125 18.394 -1.755 -2.749 1.00 0.00 C ATOM 0 H ALA B 125 16.466 -1.357 -4.172 1.00 0.00 H new ATOM 0 HA ALA B 125 17.867 -3.737 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA B 125 19.112 -2.110 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.920 -1.490 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.876 -0.878 -2.361 1.00 0.00 H new ATOM 1615 N LEU B 126 15.519 -2.889 -1.371 1.00 0.00 N ATOM 1616 CA LEU B 126 14.788 -3.317 -0.161 1.00 0.00 C ATOM 1617 C LEU B 126 13.592 -4.253 -0.449 1.00 0.00 C ATOM 1618 O LEU B 126 13.301 -5.129 0.371 1.00 0.00 O ATOM 1619 CB LEU B 126 14.463 -2.075 0.710 1.00 0.00 C ATOM 1620 CG LEU B 126 13.194 -1.270 0.354 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.987 -1.749 1.166 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.379 0.221 0.674 1.00 0.00 C ATOM 0 H LEU B 126 15.029 -2.172 -1.905 1.00 0.00 H new ATOM 0 HA LEU B 126 15.438 -3.962 0.430 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.374 -2.404 1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.316 -1.398 0.663 1.00 0.00 H new ATOM 0 HG LEU B 126 13.025 -1.420 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 126 11.109 -1.163 0.893 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.801 -2.802 0.954 1.00 0.00 H new ATOM 0 HD13 LEU B 126 12.191 -1.623 2.229 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.471 0.764 0.414 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.582 0.342 1.738 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.216 0.616 0.098 1.00 0.00 H new ATOM 1634 N LEU B 127 12.939 -4.141 -1.610 1.00 0.00 N ATOM 1635 CA LEU B 127 11.934 -5.095 -2.106 1.00 0.00 C ATOM 1636 C LEU B 127 12.579 -6.418 -2.562 1.00 0.00 C ATOM 1637 O LEU B 127 12.005 -7.492 -2.364 1.00 0.00 O ATOM 1638 CB LEU B 127 11.150 -4.460 -3.277 1.00 0.00 C ATOM 1639 CG LEU B 127 9.928 -3.608 -2.881 1.00 0.00 C ATOM 1640 CD1 LEU B 127 10.144 -2.620 -1.736 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.453 -2.791 -4.084 1.00 0.00 C ATOM 0 H LEU B 127 13.097 -3.363 -2.251 1.00 0.00 H new ATOM 0 HA LEU B 127 11.254 -5.324 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.834 -3.835 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.814 -5.258 -3.940 1.00 0.00 H new ATOM 0 HG LEU B 127 9.199 -4.342 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU B 127 9.219 -2.077 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.438 -3.163 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.929 -1.915 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.589 -2.191 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU B 127 10.256 -2.134 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU B 127 9.175 -3.465 -4.894 1.00 0.00 H new ATOM 1653 N GLY B 128 13.764 -6.351 -3.177 1.00 0.00 N ATOM 1654 CA GLY B 128 14.508 -7.518 -3.657 1.00 0.00 C ATOM 1655 C GLY B 128 13.768 -8.269 -4.762 1.00 0.00 C ATOM 1656 O GLY B 128 13.292 -7.666 -5.731 1.00 0.00 O ATOM 0 H GLY B 128 14.241 -5.468 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY B 128 15.481 -7.197 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.693 -8.195 -2.823 1.00 0.00 H new ATOM 1660 N LYS B 129 13.634 -9.592 -4.614 1.00 0.00 N ATOM 1661 CA LYS B 129 12.908 -10.457 -5.560 1.00 0.00 C ATOM 1662 C LYS B 129 11.400 -10.151 -5.646 1.00 0.00 C ATOM 1663 O LYS B 129 10.765 -10.496 -6.641 1.00 0.00 O ATOM 1664 CB LYS B 129 13.136 -11.938 -5.199 1.00 0.00 C ATOM 1665 CG LYS B 129 14.615 -12.385 -5.139 1.00 0.00 C ATOM 1666 CD LYS B 129 15.451 -12.082 -6.400 1.00 0.00 C ATOM 1667 CE LYS B 129 14.879 -12.755 -7.655 1.00 0.00 C ATOM 1668 NZ LYS B 129 15.737 -12.507 -8.842 1.00 0.00 N1+ ATOM 0 H LYS B 129 14.031 -10.102 -3.825 1.00 0.00 H new ATOM 0 HA LYS B 129 13.315 -10.246 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS B 129 12.675 -12.134 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS B 129 12.616 -12.557 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS B 129 15.089 -11.901 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS B 129 14.645 -13.459 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS B 129 15.492 -11.004 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS B 129 16.475 -12.421 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS B 129 14.791 -13.828 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS B 129 13.874 -12.379 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 15.323 -12.975 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 15.801 -11.484 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 16.689 -12.888 -8.668 1.00 0.00 H new ATOM 1682 N GLU B 130 10.831 -9.472 -4.650 1.00 0.00 N ATOM 1683 CA GLU B 130 9.421 -9.040 -4.629 1.00 0.00 C ATOM 1684 C GLU B 130 9.165 -7.690 -5.343 1.00 0.00 C ATOM 1685 O GLU B 130 8.045 -7.174 -5.312 1.00 0.00 O ATOM 1686 CB GLU B 130 8.886 -9.022 -3.184 1.00 0.00 C ATOM 1687 CG GLU B 130 9.056 -10.336 -2.405 1.00 0.00 C ATOM 1688 CD GLU B 130 8.565 -11.587 -3.170 1.00 0.00 C ATOM 1689 OE1 GLU B 130 7.493 -11.539 -3.824 1.00 0.00 O ATOM 1690 OE2 GLU B 130 9.251 -12.637 -3.109 1.00 0.00 O1- ATOM 0 H GLU B 130 11.344 -9.197 -3.812 1.00 0.00 H new ATOM 0 HA GLU B 130 8.866 -9.779 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU B 130 9.391 -8.226 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.826 -8.768 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU B 130 10.109 -10.465 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU B 130 8.512 -10.261 -1.463 1.00 0.00 H new ATOM 1697 N PHE B 131 10.167 -7.120 -6.029 1.00 0.00 N ATOM 1698 CA PHE B 131 9.992 -5.944 -6.892 1.00 0.00 C ATOM 1699 C PHE B 131 8.989 -6.203 -8.047 1.00 0.00 C ATOM 1700 O PHE B 131 8.738 -7.352 -8.429 1.00 0.00 O ATOM 1701 CB PHE B 131 11.364 -5.464 -7.389 1.00 0.00 C ATOM 1702 CG PHE B 131 11.371 -4.128 -8.115 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.265 -4.085 -9.519 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.482 -2.924 -7.391 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.272 -2.848 -10.190 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.523 -1.689 -8.064 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.415 -1.650 -9.464 1.00 0.00 C ATOM 0 H PHE B 131 11.127 -7.465 -6.000 1.00 0.00 H new ATOM 0 HA PHE B 131 9.544 -5.143 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE B 131 12.036 -5.396 -6.534 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.774 -6.222 -8.057 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.178 -5.003 -10.081 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.536 -2.949 -6.313 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.167 -2.817 -11.264 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.637 -0.772 -7.505 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.442 -0.703 -9.983 1.00 0.00 H new ATOM 1717 N ILE B 132 8.377 -5.140 -8.576 1.00 0.00 N ATOM 1718 CA ILE B 132 7.283 -5.208 -9.561 1.00 0.00 C ATOM 1719 C ILE B 132 7.743 -5.706 -10.947 1.00 0.00 C ATOM 1720 O ILE B 132 8.909 -5.553 -11.317 1.00 0.00 O ATOM 1721 CB ILE B 132 6.555 -3.842 -9.626 1.00 0.00 C ATOM 1722 CG1 ILE B 132 5.096 -3.930 -10.115 1.00 0.00 C ATOM 1723 CG2 ILE B 132 7.286 -2.834 -10.523 1.00 0.00 C ATOM 1724 CD1 ILE B 132 4.180 -4.783 -9.228 1.00 0.00 C ATOM 0 H ILE B 132 8.631 -4.184 -8.328 1.00 0.00 H new ATOM 0 HA ILE B 132 6.572 -5.962 -9.222 1.00 0.00 H new ATOM 0 HB ILE B 132 6.555 -3.502 -8.590 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.685 -2.922 -10.177 1.00 0.00 H new ATOM 0 HG13 ILE B 132 5.088 -4.340 -11.125 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.736 -1.893 -10.536 1.00 0.00 H new ATOM 0 HG22 ILE B 132 8.290 -2.663 -10.135 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.352 -3.230 -11.537 1.00 0.00 H new ATOM 0 HD11 ILE B 132 3.173 -4.790 -9.645 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.562 -5.803 -9.185 1.00 0.00 H new ATOM 0 HD13 ILE B 132 4.153 -4.363 -8.223 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.568 12.197 10.761 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.590 11.093 10.748 1.00 0.00 C ATOM 1995 C TRP B 156 -4.760 10.143 9.553 1.00 0.00 C ATOM 1996 O TRP B 156 -3.760 9.710 8.975 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.690 10.328 12.084 1.00 0.00 C ATOM 1998 CG TRP B 156 -6.058 9.821 12.474 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.924 10.479 13.280 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.741 8.584 12.087 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -8.104 9.768 13.381 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -8.059 8.608 12.641 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -6.399 7.448 11.315 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.998 7.591 12.404 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -7.329 6.415 11.084 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.630 6.494 11.606 1.00 0.00 C ATOM 0 HA TRP B 156 -3.596 11.526 10.633 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -4.011 9.476 12.040 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.330 10.982 12.878 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.722 11.420 13.771 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.908 10.065 13.934 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -5.407 7.372 10.895 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -9.989 7.651 12.829 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -7.038 5.554 10.500 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -9.346 5.714 11.395 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.004 9.850 9.153 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.332 9.070 7.944 1.00 0.00 C ATOM 2019 C LYS B 157 -6.185 9.881 6.652 1.00 0.00 C ATOM 2020 O LYS B 157 -5.691 9.360 5.655 1.00 0.00 O ATOM 2021 CB LYS B 157 -7.745 8.450 8.051 1.00 0.00 C ATOM 2022 CG LYS B 157 -8.812 9.426 8.561 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.230 9.022 8.135 1.00 0.00 C ATOM 2024 CE LYS B 157 -11.298 10.002 8.651 1.00 0.00 C ATOM 2025 NZ LYS B 157 -10.996 11.412 8.283 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.830 10.153 9.669 1.00 0.00 H new ATOM 0 HA LYS B 157 -5.601 8.263 7.888 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.044 8.079 7.071 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -7.704 7.589 8.719 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -8.763 9.476 9.649 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -8.594 10.426 8.186 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -10.280 8.974 7.047 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -10.448 8.021 8.509 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -12.270 9.723 8.245 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -11.370 9.919 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -11.884 11.945 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -10.408 11.846 9.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -10.484 11.433 7.378 1.00 0.00 H new ATOM 2039 N ASP B 158 -6.582 11.149 6.664 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.637 11.999 5.464 1.00 0.00 C ATOM 2041 C ASP B 158 -5.238 12.406 4.973 1.00 0.00 C ATOM 2042 O ASP B 158 -4.941 12.303 3.781 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.497 13.249 5.728 1.00 0.00 C ATOM 2044 CG ASP B 158 -8.970 12.976 6.105 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.648 13.918 6.574 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.475 11.839 5.947 1.00 0.00 O1- ATOM 0 H ASP B 158 -6.880 11.628 7.514 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.098 11.408 4.673 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -7.035 13.823 6.531 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -7.479 13.876 4.837 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.351 12.813 5.890 1.00 0.00 N ATOM 2052 CA ASP B 159 -2.961 13.179 5.592 1.00 0.00 C ATOM 2053 C ASP B 159 -2.122 11.976 5.111 1.00 0.00 C ATOM 2054 O ASP B 159 -1.184 12.127 4.325 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.308 13.811 6.836 1.00 0.00 C ATOM 2056 CG ASP B 159 -2.918 15.154 7.283 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -2.600 15.600 8.414 1.00 0.00 O ATOM 2058 OD2 ASP B 159 -3.662 15.809 6.507 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.584 12.899 6.879 1.00 0.00 H new ATOM 0 HA ASP B 159 -2.985 13.901 4.776 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -2.379 13.104 7.663 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -1.247 13.961 6.634 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.477 10.766 5.559 1.00 0.00 N ATOM 2064 CA TYR B 160 -1.881 9.504 5.125 1.00 0.00 C ATOM 2065 C TYR B 160 -2.407 9.066 3.750 1.00 0.00 C ATOM 2066 O TYR B 160 -1.618 8.860 2.823 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.142 8.464 6.227 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.541 7.089 5.994 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -0.147 6.943 5.850 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -2.367 5.949 6.009 1.00 0.00 C ATOM 2071 CE1 TYR B 160 0.420 5.660 5.694 1.00 0.00 C ATOM 2072 CE2 TYR B 160 -1.798 4.665 5.866 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.407 4.518 5.701 1.00 0.00 C ATOM 2074 OH TYR B 160 0.133 3.280 5.592 1.00 0.00 O ATOM 0 H TYR B 160 -3.211 10.638 6.256 1.00 0.00 H new ATOM 0 HA TYR B 160 -0.806 9.619 4.987 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -1.754 8.854 7.168 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.220 8.353 6.348 1.00 0.00 H new ATOM 0 HD1 TYR B 160 0.490 7.815 5.859 1.00 0.00 H new ATOM 0 HD2 TYR B 160 -3.435 6.057 6.130 1.00 0.00 H new ATOM 0 HE1 TYR B 160 1.487 5.553 5.569 1.00 0.00 H new ATOM 0 HE2 TYR B 160 -2.432 3.791 5.883 1.00 0.00 H new ATOM 0 HH TYR B 160 -0.430 2.635 6.069 1.00 0.00 H new ATOM 2084 N LEU B 161 -3.734 9.006 3.562 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.366 8.567 2.311 1.00 0.00 C ATOM 2086 C LEU B 161 -4.030 9.480 1.115 1.00 0.00 C ATOM 2087 O LEU B 161 -3.800 8.987 0.009 1.00 0.00 O ATOM 2088 CB LEU B 161 -5.882 8.442 2.538 1.00 0.00 C ATOM 2089 CG LEU B 161 -6.676 7.872 1.345 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.270 6.440 0.984 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.165 7.860 1.685 1.00 0.00 C ATOM 0 H LEU B 161 -4.406 9.265 4.285 1.00 0.00 H new ATOM 0 HA LEU B 161 -3.960 7.592 2.042 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.053 7.805 3.406 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.280 9.427 2.782 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.457 8.515 0.492 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -6.864 6.096 0.138 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.213 6.417 0.718 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.443 5.786 1.839 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -8.727 7.457 0.843 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.333 7.237 2.564 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.499 8.877 1.892 1.00 0.00 H new ATOM 2103 N SER B 162 -3.933 10.795 1.338 1.00 0.00 N ATOM 2104 CA SER B 162 -3.546 11.776 0.308 1.00 0.00 C ATOM 2105 C SER B 162 -2.072 11.705 -0.128 1.00 0.00 C ATOM 2106 O SER B 162 -1.740 12.159 -1.228 1.00 0.00 O ATOM 2107 CB SER B 162 -3.917 13.202 0.736 1.00 0.00 C ATOM 2108 OG SER B 162 -3.230 13.594 1.908 1.00 0.00 O ATOM 0 H SER B 162 -4.122 11.217 2.247 1.00 0.00 H new ATOM 0 HA SER B 162 -4.123 11.499 -0.575 1.00 0.00 H new ATOM 0 HB2 SER B 162 -3.684 13.896 -0.071 1.00 0.00 H new ATOM 0 HB3 SER B 162 -4.992 13.262 0.907 1.00 0.00 H new ATOM 0 HG SER B 162 -3.698 13.244 2.694 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.171 11.103 0.671 1.00 0.00 N ATOM 2115 CA ARG B 163 0.141 10.637 0.179 1.00 0.00 C ATOM 2116 C ARG B 163 0.006 9.327 -0.595 1.00 0.00 C ATOM 2117 O ARG B 163 0.501 9.221 -1.716 1.00 0.00 O ATOM 2118 CB ARG B 163 1.156 10.454 1.322 1.00 0.00 C ATOM 2119 CG ARG B 163 1.715 11.767 1.906 1.00 0.00 C ATOM 2120 CD ARG B 163 2.986 11.424 2.694 1.00 0.00 C ATOM 2121 NE ARG B 163 3.560 12.556 3.439 1.00 0.00 N ATOM 2122 CZ ARG B 163 4.232 13.598 2.978 1.00 0.00 C ATOM 2123 NH1 ARG B 163 4.401 13.818 1.702 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 4.779 14.441 3.805 1.00 0.00 N ATOM 0 H ARG B 163 -1.328 10.927 1.663 1.00 0.00 H new ATOM 0 HA ARG B 163 0.514 11.413 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.681 9.889 2.124 1.00 0.00 H new ATOM 0 HB3 ARG B 163 1.988 9.852 0.957 1.00 0.00 H new ATOM 0 HG2 ARG B 163 1.939 12.475 1.108 1.00 0.00 H new ATOM 0 HG3 ARG B 163 0.979 12.241 2.555 1.00 0.00 H new ATOM 0 HD2 ARG B 163 2.759 10.620 3.395 1.00 0.00 H new ATOM 0 HD3 ARG B 163 3.736 11.041 2.002 1.00 0.00 H new ATOM 0 HE ARG B 163 3.421 12.534 4.449 1.00 0.00 H new ATOM 0 HH11 ARG B 163 4.007 13.173 1.017 1.00 0.00 H new ATOM 0 HH12 ARG B 163 4.927 14.635 1.391 1.00 0.00 H new ATOM 0 HH21 ARG B 163 4.690 14.299 4.811 1.00 0.00 H new ATOM 0 HH22 ARG B 163 5.297 15.244 3.447 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.684 8.341 -0.026 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.809 6.987 -0.583 1.00 0.00 C ATOM 2140 C LEU B 164 -1.419 6.961 -2.000 1.00 0.00 C ATOM 2141 O LEU B 164 -1.032 6.118 -2.807 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.631 6.133 0.399 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.811 5.259 1.361 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.265 5.999 2.157 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.762 4.592 2.351 1.00 0.00 C ATOM 0 H LEU B 164 -1.185 8.459 0.855 1.00 0.00 H new ATOM 0 HA LEU B 164 0.192 6.572 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.264 6.796 0.988 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -2.294 5.487 -0.176 1.00 0.00 H new ATOM 0 HG LEU B 164 -0.284 4.543 0.730 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.787 5.295 2.805 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.977 6.455 1.469 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.201 6.775 2.764 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -1.192 3.969 3.040 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.298 5.357 2.913 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -2.477 3.973 1.808 1.00 0.00 H new ATOM 2157 N SER B 165 -2.305 7.898 -2.350 1.00 0.00 N ATOM 2158 CA SER B 165 -2.819 8.050 -3.722 1.00 0.00 C ATOM 2159 C SER B 165 -1.758 8.539 -4.726 1.00 0.00 C ATOM 2160 O SER B 165 -1.757 8.093 -5.876 1.00 0.00 O ATOM 2161 CB SER B 165 -4.042 8.979 -3.718 1.00 0.00 C ATOM 2162 OG SER B 165 -3.683 10.281 -3.285 1.00 0.00 O ATOM 0 H SER B 165 -2.689 8.576 -1.692 1.00 0.00 H new ATOM 0 HA SER B 165 -3.112 7.057 -4.064 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.470 9.029 -4.719 1.00 0.00 H new ATOM 0 HB3 SER B 165 -4.812 8.572 -3.062 1.00 0.00 H new ATOM 0 HG SER B 165 -4.475 10.858 -3.291 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.822 9.398 -4.294 1.00 0.00 N ATOM 2169 CA ARG B 166 0.264 9.974 -5.112 1.00 0.00 C ATOM 2170 C ARG B 166 1.464 9.031 -5.282 1.00 0.00 C ATOM 2171 O ARG B 166 2.073 9.008 -6.353 1.00 0.00 O ATOM 2172 CB ARG B 166 0.736 11.298 -4.485 1.00 0.00 C ATOM 2173 CG ARG B 166 -0.363 12.372 -4.451 1.00 0.00 C ATOM 2174 CD ARG B 166 0.105 13.652 -3.754 1.00 0.00 C ATOM 2175 NE ARG B 166 1.156 14.356 -4.515 1.00 0.00 N ATOM 2176 CZ ARG B 166 1.840 15.415 -4.120 1.00 0.00 C ATOM 2177 NH1 ARG B 166 1.631 15.990 -2.967 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 2.748 15.935 -4.895 1.00 0.00 N ATOM 0 H ARG B 166 -0.797 9.725 -3.328 1.00 0.00 H new ATOM 0 HA ARG B 166 -0.148 10.142 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG B 166 1.083 11.109 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG B 166 1.589 11.677 -5.048 1.00 0.00 H new ATOM 0 HG2 ARG B 166 -0.672 12.606 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -1.239 11.978 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG B 166 -0.746 14.318 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG B 166 0.483 13.405 -2.762 1.00 0.00 H new ATOM 0 HE ARG B 166 1.377 13.987 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG B 166 0.919 15.623 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG B 166 2.180 16.806 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG B 166 2.933 15.525 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG B 166 3.274 16.753 -4.587 1.00 0.00 H new ATOM 2192 N LEU B 167 1.805 8.264 -4.243 1.00 0.00 N ATOM 2193 CA LEU B 167 2.948 7.342 -4.224 1.00 0.00 C ATOM 2194 C LEU B 167 2.788 6.180 -5.222 1.00 0.00 C ATOM 2195 O LEU B 167 1.677 5.717 -5.503 1.00 0.00 O ATOM 2196 CB LEU B 167 3.176 6.827 -2.784 1.00 0.00 C ATOM 2197 CG LEU B 167 4.207 7.645 -1.977 1.00 0.00 C ATOM 2198 CD1 LEU B 167 3.814 9.103 -1.736 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.406 7.002 -0.609 1.00 0.00 C ATOM 0 H LEU B 167 1.281 8.266 -3.368 1.00 0.00 H new ATOM 0 HA LEU B 167 3.830 7.894 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.225 6.836 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.507 5.789 -2.829 1.00 0.00 H new ATOM 0 HG LEU B 167 5.113 7.643 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.596 9.600 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU B 167 3.689 9.609 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU B 167 2.877 9.140 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.134 7.579 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.457 6.984 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.770 5.982 -0.736 1.00 0.00 H new ATOM 2211 N SER B 168 3.913 5.689 -5.745 1.00 0.00 N ATOM 2212 CA SER B 168 3.987 4.534 -6.656 1.00 0.00 C ATOM 2213 C SER B 168 3.725 3.208 -5.925 1.00 0.00 C ATOM 2214 O SER B 168 3.977 3.108 -4.722 1.00 0.00 O ATOM 2215 CB SER B 168 5.367 4.509 -7.326 1.00 0.00 C ATOM 2216 OG SER B 168 5.509 3.400 -8.194 1.00 0.00 O ATOM 0 H SER B 168 4.828 6.093 -5.543 1.00 0.00 H new ATOM 0 HA SER B 168 3.208 4.643 -7.411 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.515 5.431 -7.887 1.00 0.00 H new ATOM 0 HB3 SER B 168 6.142 4.473 -6.561 1.00 0.00 H new ATOM 0 HG SER B 168 6.399 3.417 -8.604 1.00 0.00 H new ATOM 2222 N LYS B 169 3.289 2.155 -6.628 1.00 0.00 N ATOM 2223 CA LYS B 169 3.092 0.809 -6.042 1.00 0.00 C ATOM 2224 C LYS B 169 4.360 0.259 -5.372 1.00 0.00 C ATOM 2225 O LYS B 169 4.273 -0.344 -4.305 1.00 0.00 O ATOM 2226 CB LYS B 169 2.540 -0.138 -7.124 1.00 0.00 C ATOM 2227 CG LYS B 169 2.372 -1.576 -6.609 1.00 0.00 C ATOM 2228 CD LYS B 169 1.450 -2.416 -7.499 1.00 0.00 C ATOM 2229 CE LYS B 169 1.473 -3.867 -7.008 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.524 -4.719 -7.761 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.061 2.205 -7.621 1.00 0.00 H new ATOM 0 HA LYS B 169 2.362 0.887 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.577 0.235 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.213 -0.138 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS B 169 3.350 -2.054 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS B 169 1.969 -1.551 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.434 -2.023 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.778 -2.364 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.481 -4.269 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.224 -3.896 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.860 -5.703 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.415 -4.670 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.460 -4.383 -8.743 1.00 0.00 H new ATOM 2244 N ASN B 170 5.541 0.540 -5.926 1.00 0.00 N ATOM 2245 CA ASN B 170 6.829 0.189 -5.314 1.00 0.00 C ATOM 2246 C ASN B 170 7.042 0.904 -3.957 1.00 0.00 C ATOM 2247 O ASN B 170 7.493 0.286 -2.992 1.00 0.00 O ATOM 2248 CB ASN B 170 7.954 0.519 -6.309 1.00 0.00 C ATOM 2249 CG ASN B 170 7.822 -0.226 -7.619 1.00 0.00 C ATOM 2250 OD1 ASN B 170 7.183 0.224 -8.556 1.00 0.00 O ATOM 2251 ND2 ASN B 170 8.419 -1.387 -7.733 1.00 0.00 N ATOM 0 H ASN B 170 5.634 1.022 -6.820 1.00 0.00 H new ATOM 0 HA ASN B 170 6.838 -0.879 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN B 170 7.955 1.591 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.915 0.278 -5.855 1.00 0.00 H new ATOM 0 HD21 ASN B 170 8.349 -1.913 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN B 170 8.954 -1.765 -6.951 1.00 0.00 H new ATOM 2258 N GLN B 171 6.668 2.185 -3.877 1.00 0.00 N ATOM 2259 CA GLN B 171 6.700 2.963 -2.635 1.00 0.00 C ATOM 2260 C GLN B 171 5.659 2.468 -1.619 1.00 0.00 C ATOM 2261 O GLN B 171 5.965 2.391 -0.431 1.00 0.00 O ATOM 2262 CB GLN B 171 6.481 4.454 -2.939 1.00 0.00 C ATOM 2263 CG GLN B 171 7.636 5.093 -3.722 1.00 0.00 C ATOM 2264 CD GLN B 171 7.349 6.568 -3.988 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.430 6.912 -4.727 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.089 7.480 -3.397 1.00 0.00 N ATOM 0 H GLN B 171 6.331 2.716 -4.680 1.00 0.00 H new ATOM 0 HA GLN B 171 7.684 2.826 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.559 4.569 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.346 4.992 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.564 4.993 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN B 171 7.777 4.568 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN B 171 8.853 7.197 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN B 171 7.899 8.470 -3.553 1.00 0.00 H new ATOM 2275 N LEU B 172 4.457 2.074 -2.066 1.00 0.00 N ATOM 2276 CA LEU B 172 3.430 1.471 -1.205 1.00 0.00 C ATOM 2277 C LEU B 172 3.892 0.137 -0.594 1.00 0.00 C ATOM 2278 O LEU B 172 3.722 -0.068 0.607 1.00 0.00 O ATOM 2279 CB LEU B 172 2.094 1.295 -1.953 1.00 0.00 C ATOM 2280 CG LEU B 172 1.434 2.586 -2.477 1.00 0.00 C ATOM 2281 CD1 LEU B 172 -0.024 2.312 -2.832 1.00 0.00 C ATOM 2282 CD2 LEU B 172 1.442 3.716 -1.452 1.00 0.00 C ATOM 0 H LEU B 172 4.169 2.166 -3.040 1.00 0.00 H new ATOM 0 HA LEU B 172 3.269 2.168 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.260 0.627 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.391 0.797 -1.286 1.00 0.00 H new ATOM 0 HG LEU B 172 2.016 2.894 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -0.487 3.227 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -0.072 1.543 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -0.556 1.969 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU B 172 0.964 4.598 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.897 3.403 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU B 172 2.471 3.956 -1.183 1.00 0.00 H new ATOM 2294 N MET B 173 4.529 -0.736 -1.383 1.00 0.00 N ATOM 2295 CA MET B 173 5.137 -1.970 -0.875 1.00 0.00 C ATOM 2296 C MET B 173 6.244 -1.671 0.153 1.00 0.00 C ATOM 2297 O MET B 173 6.297 -2.319 1.200 1.00 0.00 O ATOM 2298 CB MET B 173 5.690 -2.811 -2.038 1.00 0.00 C ATOM 2299 CG MET B 173 4.562 -3.450 -2.856 1.00 0.00 C ATOM 2300 SD MET B 173 5.111 -4.680 -4.079 1.00 0.00 S ATOM 2301 CE MET B 173 5.917 -3.645 -5.323 1.00 0.00 C ATOM 0 H MET B 173 4.637 -0.607 -2.389 1.00 0.00 H new ATOM 0 HA MET B 173 4.361 -2.542 -0.366 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.299 -2.181 -2.686 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.343 -3.591 -1.646 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.861 -3.927 -2.171 1.00 0.00 H new ATOM 0 HG3 MET B 173 4.016 -2.662 -3.374 1.00 0.00 H new ATOM 0 HE1 MET B 173 6.123 -4.240 -6.213 1.00 0.00 H new ATOM 0 HE2 MET B 173 5.262 -2.815 -5.585 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.853 -3.256 -4.922 1.00 0.00 H new ATOM 2311 N ALA B 174 7.085 -0.661 -0.101 1.00 0.00 N ATOM 2312 CA ALA B 174 8.150 -0.256 0.816 1.00 0.00 C ATOM 2313 C ALA B 174 7.612 0.315 2.144 1.00 0.00 C ATOM 2314 O ALA B 174 7.935 -0.222 3.205 1.00 0.00 O ATOM 2315 CB ALA B 174 9.091 0.721 0.100 1.00 0.00 C ATOM 0 H ALA B 174 7.043 -0.101 -0.953 1.00 0.00 H new ATOM 0 HA ALA B 174 8.714 -1.145 1.099 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.886 1.025 0.781 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.527 0.234 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.530 1.600 -0.218 1.00 0.00 H new ATOM 2321 N LEU B 175 6.774 1.365 2.114 1.00 0.00 N ATOM 2322 CA LEU B 175 6.274 2.038 3.325 1.00 0.00 C ATOM 2323 C LEU B 175 5.462 1.090 4.226 1.00 0.00 C ATOM 2324 O LEU B 175 5.591 1.143 5.449 1.00 0.00 O ATOM 2325 CB LEU B 175 5.505 3.322 2.939 1.00 0.00 C ATOM 2326 CG LEU B 175 4.049 3.147 2.447 1.00 0.00 C ATOM 2327 CD1 LEU B 175 3.029 3.251 3.582 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.678 4.224 1.431 1.00 0.00 C ATOM 0 H LEU B 175 6.423 1.772 1.247 1.00 0.00 H new ATOM 0 HA LEU B 175 7.128 2.340 3.931 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.493 3.983 3.806 1.00 0.00 H new ATOM 0 HB3 LEU B 175 6.068 3.832 2.157 1.00 0.00 H new ATOM 0 HG LEU B 175 4.014 2.152 2.004 1.00 0.00 H new ATOM 0 HD11 LEU B 175 2.024 3.121 3.181 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.228 2.476 4.322 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.108 4.231 4.053 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.649 4.076 1.103 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.774 5.207 1.892 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.346 4.159 0.572 1.00 0.00 H new ATOM 2340 N ALA B 176 4.677 0.187 3.627 1.00 0.00 N ATOM 2341 CA ALA B 176 3.908 -0.829 4.340 1.00 0.00 C ATOM 2342 C ALA B 176 4.814 -1.844 5.064 1.00 0.00 C ATOM 2343 O ALA B 176 4.550 -2.196 6.213 1.00 0.00 O ATOM 2344 CB ALA B 176 2.971 -1.510 3.342 1.00 0.00 C ATOM 0 H ALA B 176 4.559 0.145 2.615 1.00 0.00 H new ATOM 0 HA ALA B 176 3.321 -0.352 5.125 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.386 -2.274 3.855 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.299 -0.769 2.909 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.558 -1.974 2.550 1.00 0.00 H new ATOM 2350 N LEU B 177 5.922 -2.268 4.441 1.00 0.00 N ATOM 2351 CA LEU B 177 6.910 -3.151 5.069 1.00 0.00 C ATOM 2352 C LEU B 177 7.668 -2.413 6.189 1.00 0.00 C ATOM 2353 O LEU B 177 7.812 -2.949 7.287 1.00 0.00 O ATOM 2354 CB LEU B 177 7.833 -3.715 3.962 1.00 0.00 C ATOM 2355 CG LEU B 177 8.585 -5.034 4.250 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.592 -4.958 5.397 1.00 0.00 C ATOM 2357 CD2 LEU B 177 7.616 -6.184 4.530 1.00 0.00 C ATOM 0 H LEU B 177 6.158 -2.006 3.484 1.00 0.00 H new ATOM 0 HA LEU B 177 6.422 -3.994 5.559 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.229 -3.863 3.067 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.575 -2.952 3.724 1.00 0.00 H new ATOM 0 HG LEU B 177 9.149 -5.219 3.336 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.071 -5.929 5.526 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.349 -4.208 5.168 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.076 -4.683 6.317 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.180 -7.095 4.728 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.003 -5.940 5.398 1.00 0.00 H new ATOM 0 HD23 LEU B 177 6.973 -6.337 3.663 1.00 0.00 H new ATOM 2369 N LYS B 178 8.063 -1.145 5.971 1.00 0.00 N ATOM 2370 CA LYS B 178 8.710 -0.305 7.002 1.00 0.00 C ATOM 2371 C LYS B 178 7.850 -0.157 8.254 1.00 0.00 C ATOM 2372 O LYS B 178 8.327 -0.460 9.352 1.00 0.00 O ATOM 2373 CB LYS B 178 9.086 1.090 6.464 1.00 0.00 C ATOM 2374 CG LYS B 178 10.156 1.102 5.350 1.00 0.00 C ATOM 2375 CD LYS B 178 11.114 2.293 5.513 1.00 0.00 C ATOM 2376 CE LYS B 178 12.155 1.985 6.596 1.00 0.00 C ATOM 2377 NZ LYS B 178 12.727 3.219 7.187 1.00 0.00 N1+ ATOM 0 H LYS B 178 7.944 -0.672 5.075 1.00 0.00 H new ATOM 0 HA LYS B 178 9.626 -0.830 7.275 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.184 1.570 6.084 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.444 1.697 7.295 1.00 0.00 H new ATOM 0 HG2 LYS B 178 10.722 0.171 5.375 1.00 0.00 H new ATOM 0 HG3 LYS B 178 9.670 1.153 4.376 1.00 0.00 H new ATOM 0 HD2 LYS B 178 11.613 2.501 4.566 1.00 0.00 H new ATOM 0 HD3 LYS B 178 10.552 3.188 5.781 1.00 0.00 H new ATOM 0 HE2 LYS B 178 11.694 1.387 7.382 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.957 1.384 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 13.322 2.970 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.304 3.710 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 11.956 3.844 7.499 1.00 0.00 H new ATOM 2391 N LEU B 179 6.589 0.265 8.114 1.00 0.00 N ATOM 2392 CA LEU B 179 5.704 0.499 9.269 1.00 0.00 C ATOM 2393 C LEU B 179 5.329 -0.809 10.002 1.00 0.00 C ATOM 2394 O LEU B 179 5.109 -0.776 11.215 1.00 0.00 O ATOM 2395 CB LEU B 179 4.487 1.360 8.873 1.00 0.00 C ATOM 2396 CG LEU B 179 3.409 0.691 7.994 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.353 -0.082 8.790 1.00 0.00 C ATOM 2398 CD2 LEU B 179 2.668 1.775 7.213 1.00 0.00 C ATOM 0 H LEU B 179 6.154 0.453 7.211 1.00 0.00 H new ATOM 0 HA LEU B 179 6.263 1.079 10.003 1.00 0.00 H new ATOM 0 HB2 LEU B 179 4.008 1.710 9.788 1.00 0.00 H new ATOM 0 HB3 LEU B 179 4.853 2.242 8.347 1.00 0.00 H new ATOM 0 HG LEU B 179 3.936 -0.016 7.354 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.631 -0.523 8.103 1.00 0.00 H new ATOM 0 HD12 LEU B 179 2.837 -0.872 9.365 1.00 0.00 H new ATOM 0 HD13 LEU B 179 1.839 0.598 9.469 1.00 0.00 H new ATOM 0 HD21 LEU B 179 1.903 1.314 6.588 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.198 2.469 7.910 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.374 2.317 6.583 1.00 0.00 H new ATOM 2410 N LYS B 180 5.307 -1.950 9.295 1.00 0.00 N ATOM 2411 CA LYS B 180 5.092 -3.292 9.872 1.00 0.00 C ATOM 2412 C LYS B 180 6.318 -3.802 10.631 1.00 0.00 C ATOM 2413 O LYS B 180 6.177 -4.400 11.694 1.00 0.00 O ATOM 2414 CB LYS B 180 4.688 -4.249 8.734 1.00 0.00 C ATOM 2415 CG LYS B 180 4.274 -5.645 9.225 1.00 0.00 C ATOM 2416 CD LYS B 180 3.840 -6.517 8.039 1.00 0.00 C ATOM 2417 CE LYS B 180 3.339 -7.904 8.474 1.00 0.00 C ATOM 2418 NZ LYS B 180 2.001 -7.843 9.121 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.441 -1.969 8.284 1.00 0.00 H new ATOM 0 HA LYS B 180 4.292 -3.239 10.611 1.00 0.00 H new ATOM 0 HB2 LYS B 180 3.861 -3.809 8.176 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.523 -4.349 8.041 1.00 0.00 H new ATOM 0 HG2 LYS B 180 5.107 -6.117 9.747 1.00 0.00 H new ATOM 0 HG3 LYS B 180 3.457 -5.559 9.941 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.050 -6.006 7.488 1.00 0.00 H new ATOM 0 HD3 LYS B 180 4.680 -6.637 7.355 1.00 0.00 H new ATOM 0 HE2 LYS B 180 3.290 -8.559 7.604 1.00 0.00 H new ATOM 0 HE3 LYS B 180 4.055 -8.346 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 1.705 -8.801 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 2.051 -7.239 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 1.310 -7.446 8.453 1.00 0.00 H new ATOM 2432 N GLN B 181 7.523 -3.529 10.131 1.00 0.00 N ATOM 2433 CA GLN B 181 8.789 -3.949 10.752 1.00 0.00 C ATOM 2434 C GLN B 181 9.093 -3.158 12.037 1.00 0.00 C ATOM 2435 O GLN B 181 9.523 -3.743 13.036 1.00 0.00 O ATOM 2436 CB GLN B 181 9.906 -3.809 9.706 1.00 0.00 C ATOM 2437 CG GLN B 181 11.294 -4.257 10.212 1.00 0.00 C ATOM 2438 CD GLN B 181 12.420 -4.109 9.179 1.00 0.00 C ATOM 2439 OE1 GLN B 181 13.587 -3.976 9.527 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.145 -4.122 7.889 1.00 0.00 N ATOM 0 H GLN B 181 7.654 -3.001 9.268 1.00 0.00 H new ATOM 0 HA GLN B 181 8.714 -4.990 11.065 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.643 -4.397 8.827 1.00 0.00 H new ATOM 0 HB3 GLN B 181 9.964 -2.768 9.388 1.00 0.00 H new ATOM 0 HG2 GLN B 181 11.550 -3.675 11.098 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.236 -5.300 10.522 1.00 0.00 H new ATOM 0 HE21 GLN B 181 11.181 -4.231 7.574 1.00 0.00 H new ATOM 0 HE22 GLN B 181 12.896 -4.023 7.206 1.00 0.00 H new ATOM 2449 N GLN B 182 8.858 -1.840 12.035 1.00 0.00 N ATOM 2450 CA GLN B 182 9.128 -0.974 13.188 1.00 0.00 C ATOM 2451 C GLN B 182 8.091 -1.100 14.320 1.00 0.00 C ATOM 2452 O GLN B 182 8.439 -0.858 15.476 1.00 0.00 O ATOM 2453 CB GLN B 182 9.304 0.477 12.705 1.00 0.00 C ATOM 2454 CG GLN B 182 8.014 1.132 12.188 1.00 0.00 C ATOM 2455 CD GLN B 182 7.147 1.778 13.274 1.00 0.00 C ATOM 2456 OE1 GLN B 182 7.616 2.482 14.161 1.00 0.00 O ATOM 2457 NE2 GLN B 182 5.848 1.569 13.248 1.00 0.00 N ATOM 0 H GLN B 182 8.474 -1.343 11.231 1.00 0.00 H new ATOM 0 HA GLN B 182 10.058 -1.313 13.645 1.00 0.00 H new ATOM 0 HB2 GLN B 182 9.698 1.076 13.526 1.00 0.00 H new ATOM 0 HB3 GLN B 182 10.050 0.495 11.911 1.00 0.00 H new ATOM 0 HG2 GLN B 182 8.278 1.892 11.452 1.00 0.00 H new ATOM 0 HG3 GLN B 182 7.422 0.378 11.669 1.00 0.00 H new ATOM 0 HE21 GLN B 182 5.440 0.986 12.517 1.00 0.00 H new ATOM 0 HE22 GLN B 182 5.249 1.990 13.958 1.00 0.00 H new