USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 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= 0.24 USER MOD Set 1.2: B 171 GLN : amide:sc= 1 K(o=1.2,f=-4.1!) USER MOD Set 2.1: A 68 SER OG : rot -81:sc= 0.339 USER MOD Set 2.2: A 71 GLN : amide:sc= 1.65 K(o=2,f=-3.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -53:sc= 1.08 USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 1.74 (180deg=1.32) USER MOD Single : A 70 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.4) USER MOD Single : A 73 MET CE :methyl 162:sc= 0 (180deg=-0.0578) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.17) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.3) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 119 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 TYR OH : rot 180:sc= 0 USER MOD Single : B 162 SER OG : rot 89:sc= 0.858 USER MOD Single : B 165 SER OG : rot -178:sc= 1.24 USER MOD Single : B 169 LYS NZ :NH3+ 155:sc= 1.89 (180deg=1.07) USER MOD Single : B 170 ASN :FLIP amide:sc= -0.642 F(o=-1.7!,f=-0.64) USER MOD Single : B 173 MET CE :methyl -111:sc= -0.082 (180deg=-0.213) USER MOD Single : B 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 180 LYS NZ :NH3+ -157:sc= 0.998 (180deg=0.68) USER MOD Single : B 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 182 GLN : amide:sc= 0.299 X(o=0.3,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 11 -8.183 -7.250 7.745 1.00 0.00 N ATOM 133 CA GLU A 11 -8.354 -6.372 6.583 1.00 0.00 C ATOM 134 C GLU A 11 -7.709 -6.918 5.296 1.00 0.00 C ATOM 135 O GLU A 11 -8.236 -6.659 4.220 1.00 0.00 O ATOM 136 CB GLU A 11 -7.881 -4.941 6.902 1.00 0.00 C ATOM 137 CG GLU A 11 -6.377 -4.720 7.168 1.00 0.00 C ATOM 138 CD GLU A 11 -5.850 -5.370 8.469 1.00 0.00 C ATOM 139 OE1 GLU A 11 -6.631 -5.570 9.431 1.00 0.00 O ATOM 140 OE2 GLU A 11 -4.643 -5.693 8.526 1.00 0.00 O1- ATOM 0 HA GLU A 11 -9.424 -6.341 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.171 -4.300 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.430 -4.595 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.811 -5.115 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.182 -3.648 7.208 1.00 0.00 H new ATOM 147 N LEU A 12 -6.639 -7.722 5.369 1.00 0.00 N ATOM 148 CA LEU A 12 -6.054 -8.358 4.173 1.00 0.00 C ATOM 149 C LEU A 12 -7.087 -9.277 3.491 1.00 0.00 C ATOM 150 O LEU A 12 -7.299 -9.172 2.282 1.00 0.00 O ATOM 151 CB LEU A 12 -4.779 -9.151 4.545 1.00 0.00 C ATOM 152 CG LEU A 12 -3.459 -8.359 4.606 1.00 0.00 C ATOM 153 CD1 LEU A 12 -3.020 -7.861 3.223 1.00 0.00 C ATOM 154 CD2 LEU A 12 -3.510 -7.165 5.552 1.00 0.00 C ATOM 0 H LEU A 12 -6.160 -7.949 6.240 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.774 -7.574 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.941 -9.617 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.658 -9.957 3.822 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.732 -9.074 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.085 -7.308 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.874 -8.713 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.789 -7.207 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.547 -6.654 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.289 -6.476 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.730 -7.510 6.562 1.00 0.00 H new ATOM 166 N SER A 13 -7.762 -10.130 4.263 1.00 0.00 N ATOM 167 CA SER A 13 -8.799 -11.050 3.767 1.00 0.00 C ATOM 168 C SER A 13 -10.038 -10.311 3.239 1.00 0.00 C ATOM 169 O SER A 13 -10.658 -10.760 2.272 1.00 0.00 O ATOM 170 CB SER A 13 -9.227 -12.013 4.883 1.00 0.00 C ATOM 171 OG SER A 13 -8.105 -12.741 5.368 1.00 0.00 O ATOM 0 H SER A 13 -7.604 -10.206 5.268 1.00 0.00 H new ATOM 0 HA SER A 13 -8.359 -11.602 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.686 -11.454 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.981 -12.704 4.506 1.00 0.00 H new ATOM 0 HG SER A 13 -8.393 -13.350 6.080 1.00 0.00 H new ATOM 177 N GLU A 14 -10.393 -9.166 3.834 1.00 0.00 N ATOM 178 CA GLU A 14 -11.502 -8.324 3.360 1.00 0.00 C ATOM 179 C GLU A 14 -11.190 -7.643 2.015 1.00 0.00 C ATOM 180 O GLU A 14 -11.999 -7.713 1.089 1.00 0.00 O ATOM 181 CB GLU A 14 -11.874 -7.301 4.446 1.00 0.00 C ATOM 182 CG GLU A 14 -13.112 -6.477 4.062 1.00 0.00 C ATOM 183 CD GLU A 14 -13.633 -5.647 5.251 1.00 0.00 C ATOM 184 OE1 GLU A 14 -14.788 -5.867 5.694 1.00 0.00 O ATOM 185 OE2 GLU A 14 -12.904 -4.747 5.735 1.00 0.00 O1- ATOM 0 H GLU A 14 -9.920 -8.795 4.658 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.362 -8.968 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.062 -7.822 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.031 -6.631 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.865 -5.812 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.899 -7.144 3.711 1.00 0.00 H new ATOM 192 N ILE A 15 -10.008 -7.032 1.886 1.00 0.00 N ATOM 193 CA ILE A 15 -9.552 -6.323 0.680 1.00 0.00 C ATOM 194 C ILE A 15 -9.319 -7.280 -0.514 1.00 0.00 C ATOM 195 O ILE A 15 -9.481 -6.880 -1.670 1.00 0.00 O ATOM 196 CB ILE A 15 -8.312 -5.460 1.028 1.00 0.00 C ATOM 197 CG1 ILE A 15 -8.643 -4.301 2.015 1.00 0.00 C ATOM 198 CG2 ILE A 15 -7.647 -4.857 -0.219 1.00 0.00 C ATOM 199 CD1 ILE A 15 -9.784 -3.365 1.608 1.00 0.00 C ATOM 0 H ILE A 15 -9.320 -7.015 2.639 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.342 -5.652 0.343 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.620 -6.152 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.888 -4.737 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.743 -3.702 2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.784 -4.262 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.322 -5.659 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.362 -4.222 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.919 -2.601 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.542 -2.888 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.705 -3.939 1.502 1.00 0.00 H new ATOM 211 N GLU A 16 -8.994 -8.553 -0.266 1.00 0.00 N ATOM 212 CA GLU A 16 -8.959 -9.609 -1.290 1.00 0.00 C ATOM 213 C GLU A 16 -10.359 -9.925 -1.859 1.00 0.00 C ATOM 214 O GLU A 16 -10.501 -10.108 -3.069 1.00 0.00 O ATOM 215 CB GLU A 16 -8.364 -10.898 -0.692 1.00 0.00 C ATOM 216 CG GLU A 16 -6.858 -10.811 -0.366 1.00 0.00 C ATOM 217 CD GLU A 16 -5.922 -11.427 -1.424 1.00 0.00 C ATOM 218 OE1 GLU A 16 -6.314 -11.683 -2.586 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.736 -11.658 -1.097 1.00 0.00 O1- ATOM 0 H GLU A 16 -8.744 -8.886 0.665 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.338 -9.240 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.907 -11.146 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.525 -11.718 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.591 -9.762 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.679 -11.308 0.588 1.00 0.00 H new ATOM 226 N GLY A 17 -11.385 -10.026 -1.003 1.00 0.00 N ATOM 227 CA GLY A 17 -12.711 -10.562 -1.357 1.00 0.00 C ATOM 228 C GLY A 17 -13.726 -9.559 -1.927 1.00 0.00 C ATOM 229 O GLY A 17 -14.644 -9.971 -2.642 1.00 0.00 O ATOM 0 H GLY A 17 -11.318 -9.733 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.573 -11.360 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.144 -11.017 -0.466 1.00 0.00 H new ATOM 233 N LEU A 18 -13.587 -8.266 -1.620 1.00 0.00 N ATOM 234 CA LEU A 18 -14.457 -7.182 -2.108 1.00 0.00 C ATOM 235 C LEU A 18 -14.301 -6.886 -3.620 1.00 0.00 C ATOM 236 O LEU A 18 -13.497 -7.520 -4.306 1.00 0.00 O ATOM 237 CB LEU A 18 -14.237 -5.957 -1.198 1.00 0.00 C ATOM 238 CG LEU A 18 -12.834 -5.325 -1.155 1.00 0.00 C ATOM 239 CD1 LEU A 18 -12.338 -4.769 -2.482 1.00 0.00 C ATOM 240 CD2 LEU A 18 -12.870 -4.162 -0.168 1.00 0.00 C ATOM 0 H LEU A 18 -12.844 -7.930 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.499 -7.494 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.941 -5.184 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.503 -6.245 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.153 -6.127 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.342 -4.346 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.297 -5.570 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.019 -3.992 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.886 -3.696 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.604 -3.427 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.146 -4.531 0.820 1.00 0.00 H new ATOM 252 N GLN A 19 -15.056 -5.912 -4.143 1.00 0.00 N ATOM 253 CA GLN A 19 -14.958 -5.428 -5.531 1.00 0.00 C ATOM 254 C GLN A 19 -14.709 -3.909 -5.619 1.00 0.00 C ATOM 255 O GLN A 19 -14.754 -3.199 -4.619 1.00 0.00 O ATOM 256 CB GLN A 19 -16.179 -5.893 -6.351 1.00 0.00 C ATOM 257 CG GLN A 19 -17.529 -5.311 -5.897 1.00 0.00 C ATOM 258 CD GLN A 19 -18.462 -6.402 -5.378 1.00 0.00 C ATOM 259 OE1 GLN A 19 -19.227 -7.020 -6.112 1.00 0.00 O ATOM 260 NE2 GLN A 19 -18.397 -6.695 -4.100 1.00 0.00 N ATOM 0 H GLN A 19 -15.770 -5.425 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.073 -5.879 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.019 -5.626 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.236 -6.981 -6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.363 -4.571 -5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.002 -4.793 -6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.761 -6.181 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.983 -7.437 -3.716 1.00 0.00 H new ATOM 269 N ASP A 20 -14.433 -3.393 -6.820 1.00 0.00 N ATOM 270 CA ASP A 20 -14.067 -1.981 -7.040 1.00 0.00 C ATOM 271 C ASP A 20 -15.144 -0.965 -6.595 1.00 0.00 C ATOM 272 O ASP A 20 -14.808 0.156 -6.213 1.00 0.00 O ATOM 273 CB ASP A 20 -13.674 -1.742 -8.513 1.00 0.00 C ATOM 274 CG ASP A 20 -14.776 -1.965 -9.570 1.00 0.00 C ATOM 275 OD1 ASP A 20 -14.608 -1.469 -10.711 1.00 0.00 O ATOM 276 OD2 ASP A 20 -15.788 -2.657 -9.305 1.00 0.00 O1- ATOM 0 H ASP A 20 -14.456 -3.944 -7.678 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.207 -1.800 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.315 -0.717 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.836 -2.397 -8.752 1.00 0.00 H new ATOM 281 N ASP A 21 -16.418 -1.362 -6.565 1.00 0.00 N ATOM 282 CA ASP A 21 -17.523 -0.566 -6.010 1.00 0.00 C ATOM 283 C ASP A 21 -17.384 -0.351 -4.485 1.00 0.00 C ATOM 284 O ASP A 21 -17.710 0.711 -3.955 1.00 0.00 O ATOM 285 CB ASP A 21 -18.838 -1.296 -6.327 1.00 0.00 C ATOM 286 CG ASP A 21 -20.100 -0.474 -6.003 1.00 0.00 C ATOM 287 OD1 ASP A 21 -20.101 0.774 -6.170 1.00 0.00 O ATOM 288 OD2 ASP A 21 -21.126 -1.087 -5.618 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.720 -2.264 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.507 0.425 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.850 -1.561 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.869 -2.229 -5.764 1.00 0.00 H new ATOM 293 N ASP A 22 -16.837 -1.340 -3.767 1.00 0.00 N ATOM 294 CA ASP A 22 -16.512 -1.250 -2.339 1.00 0.00 C ATOM 295 C ASP A 22 -15.272 -0.378 -2.091 1.00 0.00 C ATOM 296 O ASP A 22 -15.263 0.430 -1.160 1.00 0.00 O ATOM 297 CB ASP A 22 -16.291 -2.658 -1.767 1.00 0.00 C ATOM 298 CG ASP A 22 -17.456 -3.631 -2.021 1.00 0.00 C ATOM 299 OD1 ASP A 22 -18.628 -3.281 -1.738 1.00 0.00 O ATOM 300 OD2 ASP A 22 -17.197 -4.768 -2.480 1.00 0.00 O1- ATOM 0 H ASP A 22 -16.603 -2.246 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.353 -0.777 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.382 -3.076 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.125 -2.580 -0.693 1.00 0.00 H new ATOM 305 N LEU A 23 -14.249 -0.484 -2.945 1.00 0.00 N ATOM 306 CA LEU A 23 -13.064 0.385 -2.899 1.00 0.00 C ATOM 307 C LEU A 23 -13.448 1.851 -3.119 1.00 0.00 C ATOM 308 O LEU A 23 -13.034 2.707 -2.341 1.00 0.00 O ATOM 309 CB LEU A 23 -12.019 -0.073 -3.940 1.00 0.00 C ATOM 310 CG LEU A 23 -11.424 -1.461 -3.645 1.00 0.00 C ATOM 311 CD1 LEU A 23 -10.554 -1.957 -4.802 1.00 0.00 C ATOM 312 CD2 LEU A 23 -10.548 -1.447 -2.394 1.00 0.00 C ATOM 0 H LEU A 23 -14.218 -1.178 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.620 0.304 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.483 -0.088 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.212 0.659 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.277 -2.124 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.151 -2.940 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.157 -2.026 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.733 -1.258 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.147 -2.445 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.726 -0.745 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.145 -1.141 -1.535 1.00 0.00 H new ATOM 324 N ALA A 24 -14.288 2.151 -4.114 1.00 0.00 N ATOM 325 CA ALA A 24 -14.775 3.508 -4.361 1.00 0.00 C ATOM 326 C ALA A 24 -15.635 4.058 -3.206 1.00 0.00 C ATOM 327 O ALA A 24 -15.575 5.258 -2.927 1.00 0.00 O ATOM 328 CB ALA A 24 -15.542 3.530 -5.683 1.00 0.00 C ATOM 0 H ALA A 24 -14.649 1.458 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.911 4.170 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.908 4.539 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.880 3.225 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.386 2.842 -5.626 1.00 0.00 H new ATOM 334 N ALA A 25 -16.389 3.215 -2.495 1.00 0.00 N ATOM 335 CA ALA A 25 -17.155 3.637 -1.320 1.00 0.00 C ATOM 336 C ALA A 25 -16.263 4.023 -0.121 1.00 0.00 C ATOM 337 O ALA A 25 -16.605 4.961 0.608 1.00 0.00 O ATOM 338 CB ALA A 25 -18.142 2.520 -0.958 1.00 0.00 C ATOM 0 H ALA A 25 -16.485 2.224 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.699 4.548 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.722 2.816 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.815 2.343 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.591 1.606 -0.735 1.00 0.00 H new ATOM 344 N LEU A 26 -15.129 3.331 0.096 1.00 0.00 N ATOM 345 CA LEU A 26 -14.259 3.551 1.260 1.00 0.00 C ATOM 346 C LEU A 26 -13.103 4.552 1.000 1.00 0.00 C ATOM 347 O LEU A 26 -12.727 5.284 1.918 1.00 0.00 O ATOM 348 CB LEU A 26 -13.842 2.187 1.857 1.00 0.00 C ATOM 349 CG LEU A 26 -12.572 1.532 1.286 1.00 0.00 C ATOM 350 CD1 LEU A 26 -11.354 1.862 2.159 1.00 0.00 C ATOM 351 CD2 LEU A 26 -12.687 0.007 1.266 1.00 0.00 C ATOM 0 H LEU A 26 -14.792 2.603 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.828 4.071 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.703 2.316 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.671 1.492 1.724 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.456 1.921 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.466 1.390 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.210 2.942 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.519 1.489 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.772 -0.422 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.837 -0.360 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.534 -0.286 0.646 1.00 0.00 H new ATOM 363 N LEU A 27 -12.583 4.645 -0.236 1.00 0.00 N ATOM 364 CA LEU A 27 -11.634 5.694 -0.662 1.00 0.00 C ATOM 365 C LEU A 27 -12.349 7.021 -0.964 1.00 0.00 C ATOM 366 O LEU A 27 -11.802 8.094 -0.691 1.00 0.00 O ATOM 367 CB LEU A 27 -10.850 5.225 -1.907 1.00 0.00 C ATOM 368 CG LEU A 27 -9.582 4.395 -1.620 1.00 0.00 C ATOM 369 CD1 LEU A 27 -9.796 3.161 -0.752 1.00 0.00 C ATOM 370 CD2 LEU A 27 -8.952 3.912 -2.927 1.00 0.00 C ATOM 0 H LEU A 27 -12.812 3.985 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.942 5.868 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.517 4.632 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.565 6.103 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.939 5.082 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.845 2.647 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.195 3.462 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.501 2.490 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.058 3.328 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.667 3.291 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.681 4.772 -3.540 1.00 0.00 H new ATOM 382 N GLY A 28 -13.565 6.959 -1.517 1.00 0.00 N ATOM 383 CA GLY A 28 -14.424 8.125 -1.741 1.00 0.00 C ATOM 384 C GLY A 28 -13.822 9.129 -2.730 1.00 0.00 C ATOM 385 O GLY A 28 -13.406 8.762 -3.834 1.00 0.00 O ATOM 0 H GLY A 28 -13.986 6.083 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.392 7.790 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.605 8.624 -0.789 1.00 0.00 H new ATOM 389 N LYS A 29 -13.748 10.407 -2.327 1.00 0.00 N ATOM 390 CA LYS A 29 -13.242 11.532 -3.135 1.00 0.00 C ATOM 391 C LYS A 29 -11.798 11.331 -3.630 1.00 0.00 C ATOM 392 O LYS A 29 -11.443 11.843 -4.692 1.00 0.00 O ATOM 393 CB LYS A 29 -13.381 12.814 -2.281 1.00 0.00 C ATOM 394 CG LYS A 29 -13.121 14.136 -3.025 1.00 0.00 C ATOM 395 CD LYS A 29 -14.027 14.416 -4.241 1.00 0.00 C ATOM 396 CE LYS A 29 -15.530 14.428 -3.903 1.00 0.00 C ATOM 397 NZ LYS A 29 -15.933 15.621 -3.115 1.00 0.00 N1+ ATOM 0 H LYS A 29 -14.049 10.698 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.834 11.608 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.387 12.844 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.689 12.747 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.233 14.957 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.084 14.144 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.753 15.378 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.841 13.660 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.106 14.398 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.779 13.527 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.953 15.577 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.406 15.639 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.723 16.483 -3.658 1.00 0.00 H new ATOM 411 N GLU A 30 -10.994 10.553 -2.907 1.00 0.00 N ATOM 412 CA GLU A 30 -9.579 10.284 -3.203 1.00 0.00 C ATOM 413 C GLU A 30 -9.338 8.977 -4.004 1.00 0.00 C ATOM 414 O GLU A 30 -8.188 8.599 -4.243 1.00 0.00 O ATOM 415 CB GLU A 30 -8.787 10.350 -1.879 1.00 0.00 C ATOM 416 CG GLU A 30 -7.267 10.596 -1.985 1.00 0.00 C ATOM 417 CD GLU A 30 -6.875 11.814 -2.845 1.00 0.00 C ATOM 418 OE1 GLU A 30 -7.609 12.832 -2.857 1.00 0.00 O ATOM 419 OE2 GLU A 30 -5.813 11.772 -3.511 1.00 0.00 O1- ATOM 0 H GLU A 30 -11.318 10.073 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.212 11.054 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.217 11.142 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.942 9.413 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.863 10.730 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.796 9.706 -2.402 1.00 0.00 H new ATOM 426 N PHE A 31 -10.399 8.285 -4.447 1.00 0.00 N ATOM 427 CA PHE A 31 -10.301 7.093 -5.303 1.00 0.00 C ATOM 428 C PHE A 31 -9.607 7.405 -6.645 1.00 0.00 C ATOM 429 O PHE A 31 -9.880 8.441 -7.265 1.00 0.00 O ATOM 430 CB PHE A 31 -11.712 6.520 -5.528 1.00 0.00 C ATOM 431 CG PHE A 31 -11.794 5.275 -6.390 1.00 0.00 C ATOM 432 CD1 PHE A 31 -11.681 3.995 -5.802 1.00 0.00 C ATOM 433 CD2 PHE A 31 -12.041 5.380 -7.770 1.00 0.00 C ATOM 434 CE1 PHE A 31 -11.824 2.838 -6.594 1.00 0.00 C ATOM 435 CE2 PHE A 31 -12.171 4.226 -8.561 1.00 0.00 C ATOM 436 CZ PHE A 31 -12.060 2.956 -7.975 1.00 0.00 C ATOM 0 H PHE A 31 -11.360 8.540 -4.218 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.682 6.350 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.150 6.294 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -12.329 7.295 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.485 3.903 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.132 6.355 -8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.752 1.861 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.357 4.317 -9.621 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.156 2.070 -8.584 1.00 0.00 H new ATOM 446 N ILE A 32 -8.717 6.519 -7.108 1.00 0.00 N ATOM 447 CA ILE A 32 -7.929 6.732 -8.337 1.00 0.00 C ATOM 448 C ILE A 32 -8.841 6.940 -9.561 1.00 0.00 C ATOM 449 O ILE A 32 -9.821 6.215 -9.757 1.00 0.00 O ATOM 450 CB ILE A 32 -6.891 5.597 -8.536 1.00 0.00 C ATOM 451 CG1 ILE A 32 -5.560 6.130 -9.105 1.00 0.00 C ATOM 452 CG2 ILE A 32 -7.400 4.488 -9.468 1.00 0.00 C ATOM 453 CD1 ILE A 32 -4.753 6.941 -8.082 1.00 0.00 C ATOM 0 H ILE A 32 -8.520 5.632 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.360 7.655 -8.225 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.729 5.180 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.957 5.291 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.767 6.755 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.634 3.720 -9.572 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.303 4.045 -9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.625 4.911 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.828 7.289 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.340 7.799 -7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.518 6.312 -7.223 1.00 0.00 H new ATOM 722 N TRP A 56 6.268 -13.629 8.062 1.00 0.00 N ATOM 723 CA TRP A 56 5.454 -12.414 8.243 1.00 0.00 C ATOM 724 C TRP A 56 5.810 -11.288 7.256 1.00 0.00 C ATOM 725 O TRP A 56 4.950 -10.460 6.947 1.00 0.00 O ATOM 726 CB TRP A 56 5.588 -11.913 9.693 1.00 0.00 C ATOM 727 CG TRP A 56 6.954 -11.439 10.117 1.00 0.00 C ATOM 728 CD1 TRP A 56 7.821 -12.152 10.876 1.00 0.00 C ATOM 729 CD2 TRP A 56 7.636 -10.170 9.830 1.00 0.00 C ATOM 730 NE1 TRP A 56 8.990 -11.443 11.059 1.00 0.00 N ATOM 731 CE2 TRP A 56 8.942 -10.221 10.416 1.00 0.00 C ATOM 732 CE3 TRP A 56 7.307 -8.987 9.128 1.00 0.00 C ATOM 733 CZ2 TRP A 56 9.868 -9.178 10.284 1.00 0.00 C ATOM 734 CZ3 TRP A 56 8.236 -7.941 8.972 1.00 0.00 C ATOM 735 CH2 TRP A 56 9.520 -8.044 9.529 1.00 0.00 C ATOM 0 HA TRP A 56 4.421 -12.690 8.032 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.883 -11.095 9.838 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.283 -12.718 10.362 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.625 -13.134 11.280 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.787 -11.778 11.600 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.320 -8.884 8.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.837 -9.244 10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.959 -7.055 8.421 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.240 -7.253 9.378 1.00 0.00 H new ATOM 746 N LYS A 57 7.058 -11.255 6.770 1.00 0.00 N ATOM 747 CA LYS A 57 7.546 -10.308 5.751 1.00 0.00 C ATOM 748 C LYS A 57 7.250 -10.781 4.329 1.00 0.00 C ATOM 749 O LYS A 57 6.743 -10.002 3.521 1.00 0.00 O ATOM 750 CB LYS A 57 9.043 -10.005 5.993 1.00 0.00 C ATOM 751 CG LYS A 57 9.994 -11.189 5.734 1.00 0.00 C ATOM 752 CD LYS A 57 11.408 -10.960 6.290 1.00 0.00 C ATOM 753 CE LYS A 57 11.425 -11.043 7.820 1.00 0.00 C ATOM 754 NZ LYS A 57 12.797 -10.849 8.355 1.00 0.00 N1+ ATOM 0 H LYS A 57 7.780 -11.905 7.082 1.00 0.00 H new ATOM 0 HA LYS A 57 6.997 -9.372 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.339 -9.174 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.170 -9.675 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.575 -12.089 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.057 -11.369 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.089 -11.704 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.772 -9.983 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.760 -10.286 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.042 -12.013 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.777 -10.910 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.425 -11.587 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.152 -9.914 8.071 1.00 0.00 H new ATOM 768 N ASP A 58 7.516 -12.055 4.032 1.00 0.00 N ATOM 769 CA ASP A 58 7.405 -12.636 2.683 1.00 0.00 C ATOM 770 C ASP A 58 5.949 -12.776 2.223 1.00 0.00 C ATOM 771 O ASP A 58 5.599 -12.330 1.129 1.00 0.00 O ATOM 772 CB ASP A 58 8.104 -14.005 2.640 1.00 0.00 C ATOM 773 CG ASP A 58 9.639 -13.947 2.785 1.00 0.00 C ATOM 774 OD1 ASP A 58 10.265 -12.919 2.433 1.00 0.00 O ATOM 775 OD2 ASP A 58 10.232 -14.962 3.228 1.00 0.00 O1- ATOM 0 H ASP A 58 7.821 -12.729 4.734 1.00 0.00 H new ATOM 0 HA ASP A 58 7.896 -11.948 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.700 -14.630 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.859 -14.494 1.697 1.00 0.00 H new ATOM 780 N ASP A 59 5.081 -13.351 3.064 1.00 0.00 N ATOM 781 CA ASP A 59 3.670 -13.598 2.724 1.00 0.00 C ATOM 782 C ASP A 59 2.854 -12.300 2.650 1.00 0.00 C ATOM 783 O ASP A 59 1.877 -12.212 1.906 1.00 0.00 O ATOM 784 CB ASP A 59 3.033 -14.564 3.739 1.00 0.00 C ATOM 785 CG ASP A 59 3.640 -15.981 3.769 1.00 0.00 C ATOM 786 OD1 ASP A 59 4.518 -16.328 2.943 1.00 0.00 O ATOM 787 OD2 ASP A 59 3.182 -16.813 4.590 1.00 0.00 O1- ATOM 0 H ASP A 59 5.336 -13.660 4.002 1.00 0.00 H new ATOM 0 HA ASP A 59 3.655 -14.052 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.119 -14.128 4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.969 -14.647 3.519 1.00 0.00 H new ATOM 792 N TYR A 60 3.259 -11.275 3.398 1.00 0.00 N ATOM 793 CA TYR A 60 2.681 -9.930 3.346 1.00 0.00 C ATOM 794 C TYR A 60 3.115 -9.190 2.078 1.00 0.00 C ATOM 795 O TYR A 60 2.267 -8.796 1.281 1.00 0.00 O ATOM 796 CB TYR A 60 3.092 -9.202 4.629 1.00 0.00 C ATOM 797 CG TYR A 60 2.580 -7.785 4.791 1.00 0.00 C ATOM 798 CD1 TYR A 60 3.493 -6.710 4.860 1.00 0.00 C ATOM 799 CD2 TYR A 60 1.205 -7.543 4.964 1.00 0.00 C ATOM 800 CE1 TYR A 60 3.035 -5.403 5.119 1.00 0.00 C ATOM 801 CE2 TYR A 60 0.740 -6.233 5.208 1.00 0.00 C ATOM 802 CZ TYR A 60 1.654 -5.161 5.304 1.00 0.00 C ATOM 803 OH TYR A 60 1.205 -3.909 5.592 1.00 0.00 O ATOM 0 H TYR A 60 4.018 -11.357 4.075 1.00 0.00 H new ATOM 0 HA TYR A 60 1.593 -9.977 3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.748 -9.789 5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.181 -9.180 4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.548 -6.891 4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.503 -8.362 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.739 -4.586 5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.318 -6.050 5.322 1.00 0.00 H new ATOM 0 HH TYR A 60 0.230 -3.925 5.685 1.00 0.00 H new ATOM 813 N LEU A 61 4.425 -9.070 1.837 1.00 0.00 N ATOM 814 CA LEU A 61 4.966 -8.363 0.673 1.00 0.00 C ATOM 815 C LEU A 61 4.555 -9.028 -0.657 1.00 0.00 C ATOM 816 O LEU A 61 4.273 -8.331 -1.636 1.00 0.00 O ATOM 817 CB LEU A 61 6.495 -8.263 0.841 1.00 0.00 C ATOM 818 CG LEU A 61 7.222 -7.413 -0.214 1.00 0.00 C ATOM 819 CD1 LEU A 61 6.787 -5.951 -0.186 1.00 0.00 C ATOM 820 CD2 LEU A 61 8.730 -7.459 0.044 1.00 0.00 C ATOM 0 H LEU A 61 5.142 -9.463 2.447 1.00 0.00 H new ATOM 0 HA LEU A 61 4.544 -7.359 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.709 -7.849 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.912 -9.270 0.821 1.00 0.00 H new ATOM 0 HG LEU A 61 6.968 -7.832 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.330 -5.395 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.717 -5.886 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.003 -5.526 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.246 -6.856 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.941 -7.063 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.078 -8.490 -0.018 1.00 0.00 H new ATOM 832 N SER A 62 4.439 -10.360 -0.685 1.00 0.00 N ATOM 833 CA SER A 62 3.926 -11.115 -1.838 1.00 0.00 C ATOM 834 C SER A 62 2.456 -10.791 -2.139 1.00 0.00 C ATOM 835 O SER A 62 2.111 -10.504 -3.290 1.00 0.00 O ATOM 836 CB SER A 62 4.122 -12.619 -1.594 1.00 0.00 C ATOM 837 OG SER A 62 3.628 -13.386 -2.682 1.00 0.00 O ATOM 0 H SER A 62 4.702 -10.954 0.102 1.00 0.00 H new ATOM 0 HA SER A 62 4.494 -10.815 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.181 -12.831 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.609 -12.911 -0.678 1.00 0.00 H new ATOM 0 HG SER A 62 3.767 -14.339 -2.500 1.00 0.00 H new ATOM 843 N ARG A 63 1.579 -10.744 -1.119 1.00 0.00 N ATOM 844 CA ARG A 63 0.174 -10.335 -1.299 1.00 0.00 C ATOM 845 C ARG A 63 0.051 -8.874 -1.733 1.00 0.00 C ATOM 846 O ARG A 63 -0.699 -8.589 -2.663 1.00 0.00 O ATOM 847 CB ARG A 63 -0.635 -10.612 -0.020 1.00 0.00 C ATOM 848 CG ARG A 63 -0.980 -12.105 0.104 1.00 0.00 C ATOM 849 CD ARG A 63 -1.765 -12.406 1.388 1.00 0.00 C ATOM 850 NE ARG A 63 -0.927 -12.237 2.585 1.00 0.00 N ATOM 851 CZ ARG A 63 -1.332 -12.224 3.843 1.00 0.00 C ATOM 852 NH1 ARG A 63 -2.586 -12.346 4.175 1.00 0.00 N1+ ATOM 853 NH2 ARG A 63 -0.470 -12.097 4.812 1.00 0.00 N ATOM 0 H ARG A 63 1.820 -10.985 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.244 -10.936 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.063 -10.294 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.552 -10.023 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.566 -12.415 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.062 -12.692 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.629 -11.744 1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.147 -13.426 1.351 1.00 0.00 H new ATOM 0 HE ARG A 63 0.074 -12.117 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.297 -12.457 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.857 -12.331 5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.524 -12.007 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.789 -12.088 5.781 1.00 0.00 H new ATOM 867 N LEU A 64 0.821 -7.963 -1.139 1.00 0.00 N ATOM 868 CA LEU A 64 0.854 -6.556 -1.550 1.00 0.00 C ATOM 869 C LEU A 64 1.353 -6.378 -3.008 1.00 0.00 C ATOM 870 O LEU A 64 0.911 -5.450 -3.684 1.00 0.00 O ATOM 871 CB LEU A 64 1.696 -5.738 -0.543 1.00 0.00 C ATOM 872 CG LEU A 64 0.901 -5.169 0.647 1.00 0.00 C ATOM 873 CD1 LEU A 64 0.289 -6.201 1.591 1.00 0.00 C ATOM 874 CD2 LEU A 64 1.793 -4.241 1.471 1.00 0.00 C ATOM 0 H LEU A 64 1.441 -8.178 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.167 -6.174 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.495 -6.372 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.171 -4.913 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 64 0.064 -4.644 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.247 -5.690 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.404 -6.835 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.080 -6.816 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.225 -3.842 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.651 -4.799 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.140 -3.419 0.845 1.00 0.00 H new ATOM 886 N SER A 65 2.206 -7.274 -3.530 1.00 0.00 N ATOM 887 CA SER A 65 2.615 -7.254 -4.947 1.00 0.00 C ATOM 888 C SER A 65 1.505 -7.696 -5.921 1.00 0.00 C ATOM 889 O SER A 65 1.456 -7.203 -7.054 1.00 0.00 O ATOM 890 CB SER A 65 3.906 -8.055 -5.162 1.00 0.00 C ATOM 891 OG SER A 65 3.670 -9.440 -5.356 1.00 0.00 O ATOM 0 H SER A 65 2.630 -8.027 -2.988 1.00 0.00 H new ATOM 0 HA SER A 65 2.813 -6.209 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.435 -7.657 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.559 -7.920 -4.300 1.00 0.00 H new ATOM 0 HG SER A 65 3.124 -9.785 -4.619 1.00 0.00 H new ATOM 897 N ARG A 66 0.572 -8.567 -5.500 1.00 0.00 N ATOM 898 CA ARG A 66 -0.623 -8.959 -6.276 1.00 0.00 C ATOM 899 C ARG A 66 -1.685 -7.858 -6.309 1.00 0.00 C ATOM 900 O ARG A 66 -2.259 -7.592 -7.366 1.00 0.00 O ATOM 901 CB ARG A 66 -1.248 -10.229 -5.667 1.00 0.00 C ATOM 902 CG ARG A 66 -0.462 -11.516 -5.970 1.00 0.00 C ATOM 903 CD ARG A 66 -0.904 -12.697 -5.091 1.00 0.00 C ATOM 904 NE ARG A 66 -2.359 -12.973 -5.139 1.00 0.00 N ATOM 905 CZ ARG A 66 -3.276 -12.596 -4.256 1.00 0.00 C ATOM 906 NH1 ARG A 66 -2.987 -11.855 -3.231 1.00 0.00 N1+ ATOM 907 NH2 ARG A 66 -4.519 -12.955 -4.361 1.00 0.00 N ATOM 0 H ARG A 66 0.626 -9.029 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.292 -9.142 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.320 -10.105 -4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.265 -10.339 -6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.593 -11.779 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.602 -11.332 -5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.365 -13.591 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.617 -12.496 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.693 -13.512 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.028 -11.542 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.719 -11.586 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.816 -13.544 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.199 -12.648 -3.665 1.00 0.00 H new ATOM 921 N LEU A 67 -1.968 -7.236 -5.161 1.00 0.00 N ATOM 922 CA LEU A 67 -3.064 -6.274 -4.970 1.00 0.00 C ATOM 923 C LEU A 67 -2.877 -4.986 -5.796 1.00 0.00 C ATOM 924 O LEU A 67 -1.753 -4.540 -6.060 1.00 0.00 O ATOM 925 CB LEU A 67 -3.230 -5.983 -3.463 1.00 0.00 C ATOM 926 CG LEU A 67 -4.300 -6.845 -2.766 1.00 0.00 C ATOM 927 CD1 LEU A 67 -4.111 -8.356 -2.893 1.00 0.00 C ATOM 928 CD2 LEU A 67 -4.331 -6.502 -1.281 1.00 0.00 C ATOM 0 H LEU A 67 -1.426 -7.391 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.984 -6.722 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.273 -6.141 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.486 -4.931 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.232 -6.606 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.917 -8.869 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.127 -8.637 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.154 -8.641 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.087 -7.109 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.355 -6.704 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.574 -5.447 -1.156 1.00 0.00 H new ATOM 940 N SER A 68 -3.988 -4.381 -6.221 1.00 0.00 N ATOM 941 CA SER A 68 -4.011 -3.131 -7.002 1.00 0.00 C ATOM 942 C SER A 68 -3.658 -1.885 -6.180 1.00 0.00 C ATOM 943 O SER A 68 -3.629 -1.910 -4.950 1.00 0.00 O ATOM 944 CB SER A 68 -5.388 -2.944 -7.663 1.00 0.00 C ATOM 945 OG SER A 68 -6.391 -2.713 -6.693 1.00 0.00 O ATOM 0 H SER A 68 -4.920 -4.750 -6.031 1.00 0.00 H new ATOM 0 HA SER A 68 -3.236 -3.234 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.350 -2.105 -8.358 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.639 -3.830 -8.246 1.00 0.00 H new ATOM 0 HG SER A 68 -6.673 -3.567 -6.304 1.00 0.00 H new ATOM 951 N LYS A 69 -3.455 -0.753 -6.876 1.00 0.00 N ATOM 952 CA LYS A 69 -3.277 0.595 -6.302 1.00 0.00 C ATOM 953 C LYS A 69 -4.339 0.925 -5.250 1.00 0.00 C ATOM 954 O LYS A 69 -4.015 1.300 -4.126 1.00 0.00 O ATOM 955 CB LYS A 69 -3.314 1.592 -7.485 1.00 0.00 C ATOM 956 CG LYS A 69 -3.296 3.080 -7.121 1.00 0.00 C ATOM 957 CD LYS A 69 -2.008 3.521 -6.419 1.00 0.00 C ATOM 958 CE LYS A 69 -1.985 5.052 -6.401 1.00 0.00 C ATOM 959 NZ LYS A 69 -0.852 5.599 -5.624 1.00 0.00 N1+ ATOM 0 H LYS A 69 -3.408 -0.750 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.326 0.656 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.460 1.388 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.212 1.394 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.426 3.670 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.146 3.298 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.972 3.127 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.135 3.132 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.930 5.422 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.920 5.420 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.711 6.599 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.058 5.521 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.011 5.062 -5.844 1.00 0.00 H new ATOM 973 N ASN A 70 -5.611 0.741 -5.605 1.00 0.00 N ATOM 974 CA ASN A 70 -6.759 1.032 -4.746 1.00 0.00 C ATOM 975 C ASN A 70 -6.817 0.099 -3.529 1.00 0.00 C ATOM 976 O ASN A 70 -7.099 0.555 -2.421 1.00 0.00 O ATOM 977 CB ASN A 70 -8.034 0.914 -5.591 1.00 0.00 C ATOM 978 CG ASN A 70 -8.042 1.867 -6.766 1.00 0.00 C ATOM 979 OD1 ASN A 70 -7.486 1.590 -7.820 1.00 0.00 O ATOM 980 ND2 ASN A 70 -8.676 3.007 -6.632 1.00 0.00 N ATOM 0 H ASN A 70 -5.878 0.377 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.663 2.043 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.130 -0.108 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.902 1.111 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.707 3.668 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.138 3.233 -5.751 1.00 0.00 H new ATOM 987 N GLN A 71 -6.507 -1.190 -3.708 1.00 0.00 N ATOM 988 CA GLN A 71 -6.440 -2.166 -2.613 1.00 0.00 C ATOM 989 C GLN A 71 -5.287 -1.880 -1.633 1.00 0.00 C ATOM 990 O GLN A 71 -5.486 -1.964 -0.423 1.00 0.00 O ATOM 991 CB GLN A 71 -6.303 -3.577 -3.204 1.00 0.00 C ATOM 992 CG GLN A 71 -7.592 -4.064 -3.876 1.00 0.00 C ATOM 993 CD GLN A 71 -7.378 -5.396 -4.579 1.00 0.00 C ATOM 994 OE1 GLN A 71 -6.657 -5.484 -5.561 1.00 0.00 O ATOM 995 NE2 GLN A 71 -7.960 -6.475 -4.111 1.00 0.00 N ATOM 0 H GLN A 71 -6.294 -1.588 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.362 -2.087 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.493 -3.584 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.025 -4.273 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.378 -4.167 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.933 -3.320 -4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.564 -6.414 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.808 -7.375 -4.567 1.00 0.00 H new ATOM 1004 N LEU A 72 -4.110 -1.478 -2.131 1.00 0.00 N ATOM 1005 CA LEU A 72 -2.969 -1.032 -1.317 1.00 0.00 C ATOM 1006 C LEU A 72 -3.318 0.192 -0.453 1.00 0.00 C ATOM 1007 O LEU A 72 -3.050 0.186 0.750 1.00 0.00 O ATOM 1008 CB LEU A 72 -1.779 -0.711 -2.241 1.00 0.00 C ATOM 1009 CG LEU A 72 -1.073 -1.966 -2.783 1.00 0.00 C ATOM 1010 CD1 LEU A 72 -0.259 -1.646 -4.031 1.00 0.00 C ATOM 1011 CD2 LEU A 72 -0.123 -2.545 -1.733 1.00 0.00 C ATOM 0 H LEU A 72 -3.919 -1.453 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.704 -1.840 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.131 -0.110 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.057 -0.104 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.851 -2.689 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.228 -2.553 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.919 -1.257 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.497 -0.899 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.367 -3.432 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.630 -1.801 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.688 -2.815 -0.841 1.00 0.00 H new ATOM 1023 N MET A 73 -3.986 1.200 -1.028 1.00 0.00 N ATOM 1024 CA MET A 73 -4.510 2.346 -0.274 1.00 0.00 C ATOM 1025 C MET A 73 -5.571 1.932 0.761 1.00 0.00 C ATOM 1026 O MET A 73 -5.551 2.421 1.894 1.00 0.00 O ATOM 1027 CB MET A 73 -5.065 3.390 -1.261 1.00 0.00 C ATOM 1028 CG MET A 73 -3.941 4.264 -1.847 1.00 0.00 C ATOM 1029 SD MET A 73 -3.958 4.549 -3.640 1.00 0.00 S ATOM 1030 CE MET A 73 -5.548 5.372 -3.889 1.00 0.00 C ATOM 0 H MET A 73 -4.178 1.244 -2.029 1.00 0.00 H new ATOM 0 HA MET A 73 -3.691 2.785 0.295 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.593 2.884 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.792 4.023 -0.752 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.974 5.234 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.987 3.806 -1.587 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.548 5.878 -4.854 1.00 0.00 H new ATOM 0 HE2 MET A 73 -6.348 4.632 -3.867 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.708 6.102 -3.096 1.00 0.00 H new ATOM 1040 N ALA A 74 -6.461 0.997 0.414 1.00 0.00 N ATOM 1041 CA ALA A 74 -7.527 0.520 1.298 1.00 0.00 C ATOM 1042 C ALA A 74 -7.014 -0.287 2.509 1.00 0.00 C ATOM 1043 O ALA A 74 -7.393 0.006 3.645 1.00 0.00 O ATOM 1044 CB ALA A 74 -8.530 -0.283 0.465 1.00 0.00 C ATOM 0 H ALA A 74 -6.461 0.545 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.016 1.391 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.331 -0.645 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.951 0.355 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.024 -1.131 0.004 1.00 0.00 H new ATOM 1050 N LEU A 75 -6.134 -1.282 2.304 1.00 0.00 N ATOM 1051 CA LEU A 75 -5.599 -2.122 3.392 1.00 0.00 C ATOM 1052 C LEU A 75 -4.741 -1.299 4.365 1.00 0.00 C ATOM 1053 O LEU A 75 -4.834 -1.485 5.579 1.00 0.00 O ATOM 1054 CB LEU A 75 -4.865 -3.365 2.833 1.00 0.00 C ATOM 1055 CG LEU A 75 -3.439 -3.147 2.275 1.00 0.00 C ATOM 1056 CD1 LEU A 75 -2.351 -3.362 3.334 1.00 0.00 C ATOM 1057 CD2 LEU A 75 -3.149 -4.127 1.140 1.00 0.00 C ATOM 0 H LEU A 75 -5.774 -1.527 1.382 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.438 -2.501 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.808 -4.110 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.478 -3.792 2.039 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.414 -2.113 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.371 -3.196 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.499 -2.661 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.409 -4.382 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.141 -3.957 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.230 -5.148 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.869 -3.976 0.336 1.00 0.00 H new ATOM 1069 N ALA A 76 -3.961 -0.343 3.842 1.00 0.00 N ATOM 1070 CA ALA A 76 -3.116 0.549 4.630 1.00 0.00 C ATOM 1071 C ALA A 76 -3.945 1.490 5.530 1.00 0.00 C ATOM 1072 O ALA A 76 -3.627 1.662 6.707 1.00 0.00 O ATOM 1073 CB ALA A 76 -2.222 1.321 3.661 1.00 0.00 C ATOM 0 H ALA A 76 -3.902 -0.169 2.839 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.501 -0.035 5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.577 1.998 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.608 0.620 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.842 1.897 2.974 1.00 0.00 H new ATOM 1079 N LEU A 77 -5.045 2.046 5.005 1.00 0.00 N ATOM 1080 CA LEU A 77 -5.978 2.871 5.784 1.00 0.00 C ATOM 1081 C LEU A 77 -6.635 2.059 6.915 1.00 0.00 C ATOM 1082 O LEU A 77 -6.628 2.482 8.075 1.00 0.00 O ATOM 1083 CB LEU A 77 -6.991 3.504 4.803 1.00 0.00 C ATOM 1084 CG LEU A 77 -7.872 4.658 5.317 1.00 0.00 C ATOM 1085 CD1 LEU A 77 -8.911 4.259 6.366 1.00 0.00 C ATOM 1086 CD2 LEU A 77 -7.030 5.820 5.854 1.00 0.00 C ATOM 0 H LEU A 77 -5.313 1.936 4.027 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.449 3.676 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.436 3.868 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.651 2.713 4.448 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.428 4.974 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.482 5.138 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.586 3.514 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.407 3.840 7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.688 6.614 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.410 5.469 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.392 6.205 5.059 1.00 0.00 H new ATOM 1098 N LYS A 78 -7.135 0.854 6.611 1.00 0.00 N ATOM 1099 CA LYS A 78 -7.777 -0.046 7.592 1.00 0.00 C ATOM 1100 C LYS A 78 -6.839 -0.463 8.729 1.00 0.00 C ATOM 1101 O LYS A 78 -7.228 -0.364 9.894 1.00 0.00 O ATOM 1102 CB LYS A 78 -8.350 -1.276 6.869 1.00 0.00 C ATOM 1103 CG LYS A 78 -9.637 -0.936 6.096 1.00 0.00 C ATOM 1104 CD LYS A 78 -10.108 -2.141 5.273 1.00 0.00 C ATOM 1105 CE LYS A 78 -11.420 -1.833 4.537 1.00 0.00 C ATOM 1106 NZ LYS A 78 -12.596 -1.987 5.432 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.107 0.468 5.667 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.587 0.511 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.605 -1.672 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.559 -2.061 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.419 -0.638 6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.458 -0.087 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.339 -2.414 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.249 -3.000 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.389 -0.816 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.523 -2.500 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.417 -1.507 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.810 -2.997 5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.385 -1.564 6.358 1.00 0.00 H new ATOM 1120 N LEU A 79 -5.593 -0.861 8.434 1.00 0.00 N ATOM 1121 CA LEU A 79 -4.617 -1.217 9.477 1.00 0.00 C ATOM 1122 C LEU A 79 -4.111 -0.003 10.278 1.00 0.00 C ATOM 1123 O LEU A 79 -3.758 -0.160 11.447 1.00 0.00 O ATOM 1124 CB LEU A 79 -3.495 -2.113 8.911 1.00 0.00 C ATOM 1125 CG LEU A 79 -2.478 -1.488 7.935 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -1.334 -0.737 8.628 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -1.848 -2.584 7.074 1.00 0.00 C ATOM 0 H LEU A 79 -5.236 -0.945 7.482 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.142 -1.818 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.938 -2.520 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.967 -2.955 8.404 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.044 -0.770 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.660 -0.326 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.743 0.074 9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.784 -1.425 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.130 -2.138 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.338 -3.302 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.627 -3.093 6.506 1.00 0.00 H new ATOM 1139 N LYS A 80 -4.125 1.213 9.706 1.00 0.00 N ATOM 1140 CA LYS A 80 -3.849 2.461 10.440 1.00 0.00 C ATOM 1141 C LYS A 80 -4.981 2.834 11.401 1.00 0.00 C ATOM 1142 O LYS A 80 -4.713 3.292 12.509 1.00 0.00 O ATOM 1143 CB LYS A 80 -3.567 3.587 9.429 1.00 0.00 C ATOM 1144 CG LYS A 80 -3.057 4.875 10.101 1.00 0.00 C ATOM 1145 CD LYS A 80 -2.756 5.950 9.044 1.00 0.00 C ATOM 1146 CE LYS A 80 -2.198 7.235 9.664 1.00 0.00 C ATOM 1147 NZ LYS A 80 -0.793 7.069 10.122 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.329 1.359 8.717 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.969 2.309 11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.828 3.243 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.479 3.808 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.803 5.246 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.157 4.660 10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.040 5.557 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.668 6.181 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.248 8.042 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.822 7.531 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.455 7.962 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.748 6.317 10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.192 6.812 9.313 1.00 0.00 H new ATOM 1161 N GLN A 81 -6.234 2.591 11.012 1.00 0.00 N ATOM 1162 CA GLN A 81 -7.431 2.968 11.778 1.00 0.00 C ATOM 1163 C GLN A 81 -7.575 2.178 13.089 1.00 0.00 C ATOM 1164 O GLN A 81 -7.971 2.746 14.109 1.00 0.00 O ATOM 1165 CB GLN A 81 -8.661 2.807 10.866 1.00 0.00 C ATOM 1166 CG GLN A 81 -10.001 3.170 11.536 1.00 0.00 C ATOM 1167 CD GLN A 81 -11.211 3.041 10.605 1.00 0.00 C ATOM 1168 OE1 GLN A 81 -12.243 2.489 10.972 1.00 0.00 O ATOM 1169 NE2 GLN A 81 -11.154 3.507 9.375 1.00 0.00 N ATOM 0 H GLN A 81 -6.453 2.116 10.136 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.338 4.009 12.088 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.528 3.433 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.709 1.774 10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.150 2.525 12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.946 4.194 11.906 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.308 3.970 9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.956 3.405 8.753 1.00 0.00 H new ATOM 1178 N GLN A 82 -7.232 0.886 13.083 1.00 0.00 N ATOM 1179 CA GLN A 82 -7.272 0.028 14.276 1.00 0.00 C ATOM 1180 C GLN A 82 -6.057 0.239 15.203 1.00 0.00 C ATOM 1181 O GLN A 82 -6.213 0.259 16.428 1.00 0.00 O ATOM 1182 CB GLN A 82 -7.465 -1.442 13.843 1.00 0.00 C ATOM 1183 CG GLN A 82 -6.306 -2.073 13.040 1.00 0.00 C ATOM 1184 CD GLN A 82 -5.153 -2.614 13.894 1.00 0.00 C ATOM 1185 OE1 GLN A 82 -5.204 -2.714 15.114 1.00 0.00 O ATOM 1186 NE2 GLN A 82 -4.037 -2.965 13.287 1.00 0.00 N ATOM 0 H GLN A 82 -6.916 0.400 12.244 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.129 0.315 14.886 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.630 -2.044 14.737 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.373 -1.506 13.243 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.703 -2.887 12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.911 -1.326 12.352 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.964 -2.893 12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.246 -3.309 13.832 1.00 0.00 H new ATOM 1403 N GLU B 111 8.606 6.780 8.075 1.00 0.00 N ATOM 1404 CA GLU B 111 8.339 5.738 7.078 1.00 0.00 C ATOM 1405 C GLU B 111 7.621 6.266 5.813 1.00 0.00 C ATOM 1406 O GLU B 111 7.640 5.602 4.779 1.00 0.00 O ATOM 1407 CB GLU B 111 7.518 4.591 7.701 1.00 0.00 C ATOM 1408 CG GLU B 111 8.250 3.811 8.812 1.00 0.00 C ATOM 1409 CD GLU B 111 8.416 4.561 10.152 1.00 0.00 C ATOM 1410 OE1 GLU B 111 9.327 4.189 10.928 1.00 0.00 O ATOM 1411 OE2 GLU B 111 7.657 5.518 10.442 1.00 0.00 O1- ATOM 0 HA GLU B 111 9.314 5.369 6.759 1.00 0.00 H new ATOM 0 HB2 GLU B 111 6.595 5.002 8.111 1.00 0.00 H new ATOM 0 HB3 GLU B 111 7.234 3.894 6.912 1.00 0.00 H new ATOM 0 HG2 GLU B 111 7.708 2.884 8.999 1.00 0.00 H new ATOM 0 HG3 GLU B 111 9.239 3.533 8.446 1.00 0.00 H new ATOM 1418 N LEU B 112 7.007 7.455 5.876 1.00 0.00 N ATOM 1419 CA LEU B 112 6.494 8.180 4.711 1.00 0.00 C ATOM 1420 C LEU B 112 7.586 9.055 4.069 1.00 0.00 C ATOM 1421 O LEU B 112 7.879 8.910 2.882 1.00 0.00 O ATOM 1422 CB LEU B 112 5.264 9.027 5.102 1.00 0.00 C ATOM 1423 CG LEU B 112 3.934 8.291 5.374 1.00 0.00 C ATOM 1424 CD1 LEU B 112 3.420 7.537 4.146 1.00 0.00 C ATOM 1425 CD2 LEU B 112 3.995 7.318 6.553 1.00 0.00 C ATOM 0 H LEU B 112 6.851 7.947 6.756 1.00 0.00 H new ATOM 0 HA LEU B 112 6.184 7.447 3.966 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.520 9.595 5.996 1.00 0.00 H new ATOM 0 HB3 LEU B 112 5.089 9.749 4.305 1.00 0.00 H new ATOM 0 HG LEU B 112 3.240 9.092 5.630 1.00 0.00 H new ATOM 0 HD11 LEU B 112 2.483 7.037 4.392 1.00 0.00 H new ATOM 0 HD12 LEU B 112 3.253 8.241 3.330 1.00 0.00 H new ATOM 0 HD13 LEU B 112 4.157 6.795 3.840 1.00 0.00 H new ATOM 0 HD21 LEU B 112 3.024 6.840 6.681 1.00 0.00 H new ATOM 0 HD22 LEU B 112 4.751 6.557 6.358 1.00 0.00 H new ATOM 0 HD23 LEU B 112 4.254 7.862 7.461 1.00 0.00 H new ATOM 1437 N SER B 113 8.203 9.957 4.841 1.00 0.00 N ATOM 1438 CA SER B 113 9.138 10.973 4.318 1.00 0.00 C ATOM 1439 C SER B 113 10.467 10.391 3.812 1.00 0.00 C ATOM 1440 O SER B 113 11.054 10.943 2.882 1.00 0.00 O ATOM 1441 CB SER B 113 9.381 12.082 5.349 1.00 0.00 C ATOM 1442 OG SER B 113 9.953 11.589 6.545 1.00 0.00 O ATOM 0 H SER B 113 8.071 10.007 5.851 1.00 0.00 H new ATOM 0 HA SER B 113 8.649 11.404 3.444 1.00 0.00 H new ATOM 0 HB2 SER B 113 10.039 12.837 4.919 1.00 0.00 H new ATOM 0 HB3 SER B 113 8.436 12.576 5.577 1.00 0.00 H new ATOM 0 HG SER B 113 10.091 12.330 7.171 1.00 0.00 H new ATOM 1448 N GLU B 114 10.926 9.247 4.338 1.00 0.00 N ATOM 1449 CA GLU B 114 12.090 8.525 3.812 1.00 0.00 C ATOM 1450 C GLU B 114 11.790 7.895 2.438 1.00 0.00 C ATOM 1451 O GLU B 114 12.591 8.028 1.508 1.00 0.00 O ATOM 1452 CB GLU B 114 12.542 7.459 4.833 1.00 0.00 C ATOM 1453 CG GLU B 114 13.762 6.634 4.397 1.00 0.00 C ATOM 1454 CD GLU B 114 15.039 7.464 4.145 1.00 0.00 C ATOM 1455 OE1 GLU B 114 15.211 8.555 4.746 1.00 0.00 O ATOM 1456 OE2 GLU B 114 15.906 7.009 3.361 1.00 0.00 O1- ATOM 0 H GLU B 114 10.497 8.795 5.145 1.00 0.00 H new ATOM 0 HA GLU B 114 12.903 9.235 3.662 1.00 0.00 H new ATOM 0 HB2 GLU B 114 12.772 7.953 5.777 1.00 0.00 H new ATOM 0 HB3 GLU B 114 11.710 6.781 5.023 1.00 0.00 H new ATOM 0 HG2 GLU B 114 13.974 5.889 5.164 1.00 0.00 H new ATOM 0 HG3 GLU B 114 13.511 6.091 3.486 1.00 0.00 H new ATOM 1463 N ILE B 115 10.614 7.272 2.290 1.00 0.00 N ATOM 1464 CA ILE B 115 10.129 6.655 1.042 1.00 0.00 C ATOM 1465 C ILE B 115 9.857 7.704 -0.057 1.00 0.00 C ATOM 1466 O ILE B 115 10.066 7.436 -1.243 1.00 0.00 O ATOM 1467 CB ILE B 115 8.896 5.775 1.348 1.00 0.00 C ATOM 1468 CG1 ILE B 115 9.250 4.579 2.264 1.00 0.00 C ATOM 1469 CG2 ILE B 115 8.199 5.257 0.081 1.00 0.00 C ATOM 1470 CD1 ILE B 115 10.347 3.639 1.751 1.00 0.00 C ATOM 0 H ILE B 115 9.950 7.179 3.059 1.00 0.00 H new ATOM 0 HA ILE B 115 10.912 6.013 0.638 1.00 0.00 H new ATOM 0 HB ILE B 115 8.201 6.431 1.871 1.00 0.00 H new ATOM 0 HG12 ILE B 115 9.558 4.969 3.234 1.00 0.00 H new ATOM 0 HG13 ILE B 115 8.346 3.993 2.429 1.00 0.00 H new ATOM 0 HG21 ILE B 115 7.341 4.646 0.362 1.00 0.00 H new ATOM 0 HG22 ILE B 115 7.862 6.102 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE B 115 8.899 4.656 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE B 115 10.509 2.840 2.475 1.00 0.00 H new ATOM 0 HD12 ILE B 115 10.041 3.208 0.798 1.00 0.00 H new ATOM 0 HD13 ILE B 115 11.272 4.199 1.616 1.00 0.00 H new ATOM 1482 N GLU B 116 9.457 8.920 0.320 1.00 0.00 N ATOM 1483 CA GLU B 116 9.351 10.076 -0.586 1.00 0.00 C ATOM 1484 C GLU B 116 10.722 10.609 -1.064 1.00 0.00 C ATOM 1485 O GLU B 116 10.817 11.174 -2.155 1.00 0.00 O ATOM 1486 CB GLU B 116 8.591 11.211 0.126 1.00 0.00 C ATOM 1487 CG GLU B 116 7.086 10.948 0.279 1.00 0.00 C ATOM 1488 CD GLU B 116 6.408 11.934 1.256 1.00 0.00 C ATOM 1489 OE1 GLU B 116 6.789 13.128 1.309 1.00 0.00 O ATOM 1490 OE2 GLU B 116 5.458 11.536 1.972 1.00 0.00 O1- ATOM 0 H GLU B 116 9.192 9.138 1.281 1.00 0.00 H new ATOM 0 HA GLU B 116 8.815 9.734 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU B 116 9.026 11.363 1.114 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.734 12.137 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.607 11.022 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.933 9.928 0.633 1.00 0.00 H new ATOM 1497 N GLY B 117 11.781 10.450 -0.262 1.00 0.00 N ATOM 1498 CA GLY B 117 13.120 10.999 -0.531 1.00 0.00 C ATOM 1499 C GLY B 117 14.042 10.115 -1.386 1.00 0.00 C ATOM 1500 O GLY B 117 14.865 10.640 -2.144 1.00 0.00 O ATOM 0 H GLY B 117 11.733 9.925 0.611 1.00 0.00 H new ATOM 0 HA2 GLY B 117 13.005 11.961 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY B 117 13.612 11.191 0.422 1.00 0.00 H new ATOM 1504 N LEU B 118 13.914 8.790 -1.271 1.00 0.00 N ATOM 1505 CA LEU B 118 14.716 7.781 -1.987 1.00 0.00 C ATOM 1506 C LEU B 118 14.330 7.621 -3.474 1.00 0.00 C ATOM 1507 O LEU B 118 13.426 8.300 -3.969 1.00 0.00 O ATOM 1508 CB LEU B 118 14.670 6.477 -1.174 1.00 0.00 C ATOM 1509 CG LEU B 118 13.304 5.807 -0.968 1.00 0.00 C ATOM 1510 CD1 LEU B 118 12.656 5.276 -2.242 1.00 0.00 C ATOM 1511 CD2 LEU B 118 13.488 4.624 -0.007 1.00 0.00 C ATOM 0 H LEU B 118 13.221 8.369 -0.652 1.00 0.00 H new ATOM 0 HA LEU B 118 15.751 8.117 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU B 118 15.326 5.756 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU B 118 15.094 6.681 -0.191 1.00 0.00 H new ATOM 0 HG LEU B 118 12.642 6.580 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU B 118 11.696 4.820 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.501 6.098 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU B 118 13.307 4.530 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU B 118 12.528 4.133 0.154 1.00 0.00 H new ATOM 0 HD22 LEU B 118 14.192 3.912 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU B 118 13.874 4.986 0.946 1.00 0.00 H new ATOM 1523 N GLN B 119 15.004 6.706 -4.186 1.00 0.00 N ATOM 1524 CA GLN B 119 14.766 6.397 -5.607 1.00 0.00 C ATOM 1525 C GLN B 119 14.597 4.887 -5.878 1.00 0.00 C ATOM 1526 O GLN B 119 14.731 4.051 -4.981 1.00 0.00 O ATOM 1527 CB GLN B 119 15.846 7.057 -6.474 1.00 0.00 C ATOM 1528 CG GLN B 119 17.261 6.487 -6.289 1.00 0.00 C ATOM 1529 CD GLN B 119 18.199 7.525 -5.683 1.00 0.00 C ATOM 1530 OE1 GLN B 119 18.851 8.304 -6.368 1.00 0.00 O ATOM 1531 NE2 GLN B 119 18.279 7.590 -4.375 1.00 0.00 N ATOM 0 H GLN B 119 15.751 6.144 -3.779 1.00 0.00 H new ATOM 0 HA GLN B 119 13.806 6.827 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN B 119 15.563 6.955 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN B 119 15.868 8.124 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN B 119 17.221 5.609 -5.644 1.00 0.00 H new ATOM 0 HG3 GLN B 119 17.652 6.158 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN B 119 17.739 6.945 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN B 119 18.881 8.286 -3.935 1.00 0.00 H new ATOM 1540 N ASP B 120 14.292 4.513 -7.122 1.00 0.00 N ATOM 1541 CA ASP B 120 13.974 3.130 -7.529 1.00 0.00 C ATOM 1542 C ASP B 120 15.107 2.109 -7.301 1.00 0.00 C ATOM 1543 O ASP B 120 14.832 0.927 -7.084 1.00 0.00 O ATOM 1544 CB ASP B 120 13.492 3.096 -8.993 1.00 0.00 C ATOM 1545 CG ASP B 120 14.478 3.592 -10.076 1.00 0.00 C ATOM 1546 OD1 ASP B 120 14.155 3.441 -11.280 1.00 0.00 O ATOM 1547 OD2 ASP B 120 15.564 4.136 -9.762 1.00 0.00 O1- ATOM 0 H ASP B 120 14.257 5.174 -7.898 1.00 0.00 H new ATOM 0 HA ASP B 120 13.170 2.811 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP B 120 13.216 2.069 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP B 120 12.584 3.695 -9.063 1.00 0.00 H new ATOM 1552 N ASP B 121 16.373 2.546 -7.274 1.00 0.00 N ATOM 1553 CA ASP B 121 17.524 1.712 -6.904 1.00 0.00 C ATOM 1554 C ASP B 121 17.477 1.278 -5.422 1.00 0.00 C ATOM 1555 O ASP B 121 17.850 0.155 -5.078 1.00 0.00 O ATOM 1556 CB ASP B 121 18.809 2.501 -7.203 1.00 0.00 C ATOM 1557 CG ASP B 121 20.104 1.676 -7.041 1.00 0.00 C ATOM 1558 OD1 ASP B 121 20.124 0.464 -7.377 1.00 0.00 O ATOM 1559 OD2 ASP B 121 21.134 2.257 -6.614 1.00 0.00 O1- ATOM 0 H ASP B 121 16.630 3.504 -7.512 1.00 0.00 H new ATOM 0 HA ASP B 121 17.499 0.795 -7.492 1.00 0.00 H new ATOM 0 HB2 ASP B 121 18.759 2.884 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP B 121 18.855 3.365 -6.540 1.00 0.00 H new ATOM 1564 N ASP B 122 16.963 2.143 -4.541 1.00 0.00 N ATOM 1565 CA ASP B 122 16.736 1.841 -3.123 1.00 0.00 C ATOM 1566 C ASP B 122 15.499 0.951 -2.918 1.00 0.00 C ATOM 1567 O ASP B 122 15.525 0.035 -2.094 1.00 0.00 O ATOM 1568 CB ASP B 122 16.587 3.146 -2.324 1.00 0.00 C ATOM 1569 CG ASP B 122 17.680 4.185 -2.629 1.00 0.00 C ATOM 1570 OD1 ASP B 122 18.883 3.893 -2.427 1.00 0.00 O ATOM 1571 OD2 ASP B 122 17.329 5.315 -3.051 1.00 0.00 O1- ATOM 0 H ASP B 122 16.688 3.091 -4.798 1.00 0.00 H new ATOM 0 HA ASP B 122 17.603 1.289 -2.759 1.00 0.00 H new ATOM 0 HB2 ASP B 122 15.612 3.584 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP B 122 16.605 2.914 -1.259 1.00 0.00 H new ATOM 1576 N LEU B 123 14.427 1.168 -3.696 1.00 0.00 N ATOM 1577 CA LEU B 123 13.227 0.321 -3.671 1.00 0.00 C ATOM 1578 C LEU B 123 13.545 -1.120 -4.101 1.00 0.00 C ATOM 1579 O LEU B 123 13.182 -2.060 -3.395 1.00 0.00 O ATOM 1580 CB LEU B 123 12.115 0.919 -4.561 1.00 0.00 C ATOM 1581 CG LEU B 123 11.568 2.270 -4.067 1.00 0.00 C ATOM 1582 CD1 LEU B 123 10.632 2.905 -5.093 1.00 0.00 C ATOM 1583 CD2 LEU B 123 10.782 2.111 -2.766 1.00 0.00 C ATOM 0 H LEU B 123 14.369 1.939 -4.362 1.00 0.00 H new ATOM 0 HA LEU B 123 12.869 0.290 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.503 1.045 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.292 0.207 -4.622 1.00 0.00 H new ATOM 0 HG LEU B 123 12.437 2.908 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU B 123 10.265 3.857 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU B 123 11.173 3.072 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.789 2.239 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU B 123 10.410 3.084 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU B 123 9.941 1.436 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.434 1.699 -1.995 1.00 0.00 H new ATOM 1595 N ALA B 124 14.282 -1.308 -5.200 1.00 0.00 N ATOM 1596 CA ALA B 124 14.690 -2.635 -5.662 1.00 0.00 C ATOM 1597 C ALA B 124 15.583 -3.376 -4.645 1.00 0.00 C ATOM 1598 O ALA B 124 15.453 -4.592 -4.489 1.00 0.00 O ATOM 1599 CB ALA B 124 15.386 -2.492 -7.017 1.00 0.00 C ATOM 0 H ALA B 124 14.611 -0.545 -5.792 1.00 0.00 H new ATOM 0 HA ALA B 124 13.797 -3.251 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA B 124 15.695 -3.475 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA B 124 14.697 -2.047 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA B 124 16.262 -1.852 -6.910 1.00 0.00 H new ATOM 1605 N ALA B 125 16.440 -2.658 -3.913 1.00 0.00 N ATOM 1606 CA ALA B 125 17.302 -3.225 -2.873 1.00 0.00 C ATOM 1607 C ALA B 125 16.531 -3.765 -1.646 1.00 0.00 C ATOM 1608 O ALA B 125 17.010 -4.708 -1.005 1.00 0.00 O ATOM 1609 CB ALA B 125 18.334 -2.167 -2.456 1.00 0.00 C ATOM 0 H ALA B 125 16.556 -1.651 -4.029 1.00 0.00 H new ATOM 0 HA ALA B 125 17.800 -4.096 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA B 125 18.983 -2.577 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA B 125 18.935 -1.884 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA B 125 17.818 -1.288 -2.070 1.00 0.00 H new ATOM 1615 N LEU B 126 15.355 -3.203 -1.318 1.00 0.00 N ATOM 1616 CA LEU B 126 14.546 -3.609 -0.151 1.00 0.00 C ATOM 1617 C LEU B 126 13.318 -4.484 -0.499 1.00 0.00 C ATOM 1618 O LEU B 126 12.939 -5.344 0.301 1.00 0.00 O ATOM 1619 CB LEU B 126 14.252 -2.373 0.729 1.00 0.00 C ATOM 1620 CG LEU B 126 13.023 -1.526 0.343 1.00 0.00 C ATOM 1621 CD1 LEU B 126 11.792 -1.940 1.160 1.00 0.00 C ATOM 1622 CD2 LEU B 126 13.262 -0.044 0.637 1.00 0.00 C ATOM 0 H LEU B 126 14.934 -2.448 -1.859 1.00 0.00 H new ATOM 0 HA LEU B 126 15.136 -4.299 0.452 1.00 0.00 H new ATOM 0 HB2 LEU B 126 14.124 -2.710 1.758 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.130 -1.727 0.713 1.00 0.00 H new ATOM 0 HG LEU B 126 12.858 -1.689 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU B 126 10.939 -1.327 0.868 1.00 0.00 H new ATOM 0 HD12 LEU B 126 11.566 -2.990 0.971 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.995 -1.798 2.221 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.379 0.530 0.355 1.00 0.00 H new ATOM 0 HD22 LEU B 126 13.457 0.089 1.701 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.121 0.307 0.064 1.00 0.00 H new ATOM 1634 N LEU B 127 12.723 -4.333 -1.695 1.00 0.00 N ATOM 1635 CA LEU B 127 11.673 -5.229 -2.222 1.00 0.00 C ATOM 1636 C LEU B 127 12.253 -6.565 -2.716 1.00 0.00 C ATOM 1637 O LEU B 127 11.637 -7.614 -2.518 1.00 0.00 O ATOM 1638 CB LEU B 127 10.909 -4.535 -3.367 1.00 0.00 C ATOM 1639 CG LEU B 127 9.708 -3.668 -2.943 1.00 0.00 C ATOM 1640 CD1 LEU B 127 10.016 -2.605 -1.890 1.00 0.00 C ATOM 1641 CD2 LEU B 127 9.137 -2.949 -4.165 1.00 0.00 C ATOM 0 H LEU B 127 12.960 -3.574 -2.334 1.00 0.00 H new ATOM 0 HA LEU B 127 10.987 -5.447 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU B 127 11.610 -3.907 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU B 127 10.555 -5.300 -4.058 1.00 0.00 H new ATOM 0 HG LEU B 127 9.003 -4.369 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU B 127 9.108 -2.048 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU B 127 10.387 -3.086 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU B 127 10.773 -1.921 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU B 127 8.288 -2.336 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU B 127 9.905 -2.313 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU B 127 8.810 -3.684 -4.900 1.00 0.00 H new ATOM 1653 N GLY B 128 13.428 -6.545 -3.360 1.00 0.00 N ATOM 1654 CA GLY B 128 14.151 -7.751 -3.800 1.00 0.00 C ATOM 1655 C GLY B 128 13.340 -8.606 -4.776 1.00 0.00 C ATOM 1656 O GLY B 128 12.867 -8.121 -5.806 1.00 0.00 O ATOM 0 H GLY B 128 13.912 -5.678 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY B 128 15.087 -7.455 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY B 128 14.411 -8.351 -2.928 1.00 0.00 H new ATOM 1660 N LYS B 129 13.158 -9.895 -4.442 1.00 0.00 N ATOM 1661 CA LYS B 129 12.420 -10.884 -5.256 1.00 0.00 C ATOM 1662 C LYS B 129 10.954 -10.508 -5.501 1.00 0.00 C ATOM 1663 O LYS B 129 10.387 -10.907 -6.516 1.00 0.00 O ATOM 1664 CB LYS B 129 12.467 -12.262 -4.572 1.00 0.00 C ATOM 1665 CG LYS B 129 13.896 -12.831 -4.448 1.00 0.00 C ATOM 1666 CD LYS B 129 14.171 -13.296 -3.015 1.00 0.00 C ATOM 1667 CE LYS B 129 15.570 -13.914 -2.912 1.00 0.00 C ATOM 1668 NZ LYS B 129 15.851 -14.405 -1.539 1.00 0.00 N1+ ATOM 0 H LYS B 129 13.528 -10.291 -3.578 1.00 0.00 H new ATOM 0 HA LYS B 129 12.916 -10.906 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS B 129 12.027 -12.182 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS B 129 11.852 -12.962 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.021 -13.666 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS B 129 14.622 -12.070 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS B 129 14.088 -12.452 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS B 129 13.421 -14.027 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS B 129 15.657 -14.739 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS B 129 16.318 -13.173 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 16.806 -14.817 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 15.792 -13.612 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 15.152 -15.130 -1.280 1.00 0.00 H new ATOM 1682 N GLU B 130 10.345 -9.728 -4.610 1.00 0.00 N ATOM 1683 CA GLU B 130 8.952 -9.258 -4.716 1.00 0.00 C ATOM 1684 C GLU B 130 8.795 -7.939 -5.510 1.00 0.00 C ATOM 1685 O GLU B 130 7.679 -7.422 -5.639 1.00 0.00 O ATOM 1686 CB GLU B 130 8.338 -9.128 -3.308 1.00 0.00 C ATOM 1687 CG GLU B 130 8.458 -10.377 -2.407 1.00 0.00 C ATOM 1688 CD GLU B 130 8.067 -11.695 -3.108 1.00 0.00 C ATOM 1689 OE1 GLU B 130 8.805 -12.702 -2.963 1.00 0.00 O ATOM 1690 OE2 GLU B 130 7.012 -11.744 -3.789 1.00 0.00 O1- ATOM 0 H GLU B 130 10.814 -9.392 -3.769 1.00 0.00 H new ATOM 0 HA GLU B 130 8.410 -10.009 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU B 130 8.814 -8.289 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU B 130 7.282 -8.879 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU B 130 9.485 -10.458 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU B 130 7.825 -10.242 -1.530 1.00 0.00 H new ATOM 1697 N PHE B 131 9.886 -7.380 -6.047 1.00 0.00 N ATOM 1698 CA PHE B 131 9.856 -6.153 -6.866 1.00 0.00 C ATOM 1699 C PHE B 131 8.980 -6.304 -8.130 1.00 0.00 C ATOM 1700 O PHE B 131 8.904 -7.383 -8.727 1.00 0.00 O ATOM 1701 CB PHE B 131 11.291 -5.730 -7.208 1.00 0.00 C ATOM 1702 CG PHE B 131 11.406 -4.422 -7.965 1.00 0.00 C ATOM 1703 CD1 PHE B 131 11.385 -4.416 -9.371 1.00 0.00 C ATOM 1704 CD2 PHE B 131 11.534 -3.206 -7.263 1.00 0.00 C ATOM 1705 CE1 PHE B 131 11.480 -3.206 -10.075 1.00 0.00 C ATOM 1706 CE2 PHE B 131 11.656 -1.994 -7.968 1.00 0.00 C ATOM 1707 CZ PHE B 131 11.624 -1.993 -9.374 1.00 0.00 C ATOM 0 H PHE B 131 10.823 -7.766 -5.927 1.00 0.00 H new ATOM 0 HA PHE B 131 9.387 -5.363 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE B 131 11.861 -5.649 -6.282 1.00 0.00 H new ATOM 0 HB3 PHE B 131 11.756 -6.518 -7.800 1.00 0.00 H new ATOM 0 HD1 PHE B 131 11.295 -5.347 -9.911 1.00 0.00 H new ATOM 0 HD2 PHE B 131 11.538 -3.205 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE B 131 11.443 -3.205 -11.154 1.00 0.00 H new ATOM 0 HE2 PHE B 131 11.774 -1.065 -7.430 1.00 0.00 H new ATOM 0 HZ PHE B 131 11.710 -1.063 -9.916 1.00 0.00 H new ATOM 1717 N ILE B 132 8.312 -5.222 -8.552 1.00 0.00 N ATOM 1718 CA ILE B 132 7.328 -5.253 -9.646 1.00 0.00 C ATOM 1719 C ILE B 132 7.940 -5.745 -10.978 1.00 0.00 C ATOM 1720 O ILE B 132 9.063 -5.385 -11.339 1.00 0.00 O ATOM 1721 CB ILE B 132 6.618 -3.880 -9.778 1.00 0.00 C ATOM 1722 CG1 ILE B 132 5.193 -3.988 -10.358 1.00 0.00 C ATOM 1723 CG2 ILE B 132 7.402 -2.892 -10.656 1.00 0.00 C ATOM 1724 CD1 ILE B 132 4.196 -4.635 -9.387 1.00 0.00 C ATOM 0 H ILE B 132 8.438 -4.296 -8.143 1.00 0.00 H new ATOM 0 HA ILE B 132 6.567 -5.990 -9.391 1.00 0.00 H new ATOM 0 HB ILE B 132 6.566 -3.509 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE B 132 4.839 -2.992 -10.623 1.00 0.00 H new ATOM 0 HG13 ILE B 132 5.225 -4.571 -11.279 1.00 0.00 H new ATOM 0 HG21 ILE B 132 6.860 -1.948 -10.714 1.00 0.00 H new ATOM 0 HG22 ILE B 132 8.386 -2.719 -10.220 1.00 0.00 H new ATOM 0 HG23 ILE B 132 7.517 -3.307 -11.657 1.00 0.00 H new ATOM 0 HD11 ILE B 132 3.212 -4.682 -9.854 1.00 0.00 H new ATOM 0 HD12 ILE B 132 4.530 -5.643 -9.141 1.00 0.00 H new ATOM 0 HD13 ILE B 132 4.137 -4.040 -8.476 1.00 0.00 H new ATOM 1993 N TRP B 156 -5.500 12.822 10.269 1.00 0.00 N ATOM 1994 CA TRP B 156 -4.618 11.648 10.173 1.00 0.00 C ATOM 1995 C TRP B 156 -4.947 10.763 8.963 1.00 0.00 C ATOM 1996 O TRP B 156 -4.038 10.390 8.215 1.00 0.00 O ATOM 1997 CB TRP B 156 -4.673 10.854 11.490 1.00 0.00 C ATOM 1998 CG TRP B 156 -5.991 10.231 11.831 1.00 0.00 C ATOM 1999 CD1 TRP B 156 -6.983 10.831 12.524 1.00 0.00 C ATOM 2000 CD2 TRP B 156 -6.522 8.924 11.435 1.00 0.00 C ATOM 2001 NE1 TRP B 156 -8.078 9.989 12.591 1.00 0.00 N ATOM 2002 CE2 TRP B 156 -7.857 8.812 11.915 1.00 0.00 C ATOM 2003 CE3 TRP B 156 -6.026 7.839 10.678 1.00 0.00 C ATOM 2004 CZ2 TRP B 156 -8.663 7.697 11.655 1.00 0.00 C ATOM 2005 CZ3 TRP B 156 -6.822 6.708 10.406 1.00 0.00 C ATOM 2006 CH2 TRP B 156 -8.147 6.642 10.876 1.00 0.00 C ATOM 0 HA TRP B 156 -3.599 12.002 10.014 1.00 0.00 H new ATOM 0 HB2 TRP B 156 -3.922 10.065 11.446 1.00 0.00 H new ATOM 0 HB3 TRP B 156 -4.388 11.520 12.304 1.00 0.00 H new ATOM 0 HD1 TRP B 156 -6.929 11.818 12.959 1.00 0.00 H new ATOM 0 HE1 TRP B 156 -8.944 10.213 13.082 1.00 0.00 H new ATOM 0 HE3 TRP B 156 -5.015 7.877 10.300 1.00 0.00 H new ATOM 0 HZ2 TRP B 156 -9.668 7.646 12.047 1.00 0.00 H new ATOM 0 HZ3 TRP B 156 -6.413 5.888 9.834 1.00 0.00 H new ATOM 0 HH2 TRP B 156 -8.765 5.788 10.641 1.00 0.00 H new ATOM 2017 N LYS B 157 -6.235 10.488 8.721 1.00 0.00 N ATOM 2018 CA LYS B 157 -6.727 9.735 7.558 1.00 0.00 C ATOM 2019 C LYS B 157 -6.665 10.558 6.271 1.00 0.00 C ATOM 2020 O LYS B 157 -6.283 10.034 5.222 1.00 0.00 O ATOM 2021 CB LYS B 157 -8.135 9.168 7.835 1.00 0.00 C ATOM 2022 CG LYS B 157 -9.220 10.212 8.147 1.00 0.00 C ATOM 2023 CD LYS B 157 -10.559 9.521 8.452 1.00 0.00 C ATOM 2024 CE LYS B 157 -11.635 10.572 8.724 1.00 0.00 C ATOM 2025 NZ LYS B 157 -12.952 9.947 9.009 1.00 0.00 N1+ ATOM 0 H LYS B 157 -6.984 10.790 9.344 1.00 0.00 H new ATOM 0 HA LYS B 157 -6.060 8.888 7.398 1.00 0.00 H new ATOM 0 HB2 LYS B 157 -8.451 8.589 6.967 1.00 0.00 H new ATOM 0 HB3 LYS B 157 -8.070 8.475 8.674 1.00 0.00 H new ATOM 0 HG2 LYS B 157 -8.915 10.819 8.999 1.00 0.00 H new ATOM 0 HG3 LYS B 157 -9.337 10.888 7.300 1.00 0.00 H new ATOM 0 HD2 LYS B 157 -10.855 8.894 7.611 1.00 0.00 H new ATOM 0 HD3 LYS B 157 -10.452 8.865 9.316 1.00 0.00 H new ATOM 0 HE2 LYS B 157 -11.335 11.190 9.570 1.00 0.00 H new ATOM 0 HE3 LYS B 157 -11.725 11.233 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 157 -13.657 10.690 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 157 -13.250 9.377 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 157 -12.872 9.336 9.847 1.00 0.00 H new ATOM 2039 N ASP B 158 -6.995 11.849 6.362 1.00 0.00 N ATOM 2040 CA ASP B 158 -6.995 12.793 5.241 1.00 0.00 C ATOM 2041 C ASP B 158 -5.596 12.945 4.617 1.00 0.00 C ATOM 2042 O ASP B 158 -5.448 12.768 3.407 1.00 0.00 O ATOM 2043 CB ASP B 158 -7.524 14.167 5.698 1.00 0.00 C ATOM 2044 CG ASP B 158 -8.935 14.132 6.299 1.00 0.00 C ATOM 2045 OD1 ASP B 158 -9.864 14.642 5.632 1.00 0.00 O ATOM 2046 OD2 ASP B 158 -9.107 13.668 7.450 1.00 0.00 O1- ATOM 0 H ASP B 158 -7.278 12.279 7.243 1.00 0.00 H new ATOM 0 HA ASP B 158 -7.656 12.389 4.474 1.00 0.00 H new ATOM 0 HB2 ASP B 158 -6.837 14.580 6.437 1.00 0.00 H new ATOM 0 HB3 ASP B 158 -7.522 14.846 4.845 1.00 0.00 H new ATOM 2051 N ASP B 159 -4.566 13.223 5.427 1.00 0.00 N ATOM 2052 CA ASP B 159 -3.174 13.330 4.964 1.00 0.00 C ATOM 2053 C ASP B 159 -2.652 11.982 4.437 1.00 0.00 C ATOM 2054 O ASP B 159 -2.169 11.910 3.309 1.00 0.00 O ATOM 2055 CB ASP B 159 -2.290 13.853 6.110 1.00 0.00 C ATOM 2056 CG ASP B 159 -0.795 13.989 5.753 1.00 0.00 C ATOM 2057 OD1 ASP B 159 -0.419 14.077 4.560 1.00 0.00 O ATOM 2058 OD2 ASP B 159 0.051 14.001 6.677 1.00 0.00 O1- ATOM 0 H ASP B 159 -4.675 13.381 6.429 1.00 0.00 H new ATOM 0 HA ASP B 159 -3.136 14.035 4.134 1.00 0.00 H new ATOM 0 HB2 ASP B 159 -2.665 14.826 6.426 1.00 0.00 H new ATOM 0 HB3 ASP B 159 -2.387 13.181 6.963 1.00 0.00 H new ATOM 2063 N TYR B 160 -2.797 10.900 5.208 1.00 0.00 N ATOM 2064 CA TYR B 160 -2.245 9.584 4.870 1.00 0.00 C ATOM 2065 C TYR B 160 -2.783 9.048 3.536 1.00 0.00 C ATOM 2066 O TYR B 160 -1.999 8.685 2.659 1.00 0.00 O ATOM 2067 CB TYR B 160 -2.520 8.615 6.025 1.00 0.00 C ATOM 2068 CG TYR B 160 -1.870 7.251 5.878 1.00 0.00 C ATOM 2069 CD1 TYR B 160 -2.646 6.128 5.529 1.00 0.00 C ATOM 2070 CD2 TYR B 160 -0.498 7.099 6.156 1.00 0.00 C ATOM 2071 CE1 TYR B 160 -2.043 4.855 5.480 1.00 0.00 C ATOM 2072 CE2 TYR B 160 0.104 5.829 6.110 1.00 0.00 C ATOM 2073 CZ TYR B 160 -0.670 4.700 5.773 1.00 0.00 C ATOM 2074 OH TYR B 160 -0.096 3.469 5.764 1.00 0.00 O ATOM 0 H TYR B 160 -3.305 10.913 6.092 1.00 0.00 H new ATOM 0 HA TYR B 160 -1.168 9.684 4.733 1.00 0.00 H new ATOM 0 HB2 TYR B 160 -2.173 9.070 6.953 1.00 0.00 H new ATOM 0 HB3 TYR B 160 -3.598 8.480 6.120 1.00 0.00 H new ATOM 0 HD1 TYR B 160 -3.695 6.242 5.301 1.00 0.00 H new ATOM 0 HD2 TYR B 160 0.097 7.965 6.407 1.00 0.00 H new ATOM 0 HE1 TYR B 160 -2.635 3.991 5.216 1.00 0.00 H new ATOM 0 HE2 TYR B 160 1.155 5.719 6.332 1.00 0.00 H new ATOM 0 HH TYR B 160 0.855 3.550 5.987 1.00 0.00 H new ATOM 2084 N LEU B 161 -4.101 9.079 3.319 1.00 0.00 N ATOM 2085 CA LEU B 161 -4.696 8.636 2.050 1.00 0.00 C ATOM 2086 C LEU B 161 -4.288 9.536 0.862 1.00 0.00 C ATOM 2087 O LEU B 161 -3.990 9.028 -0.219 1.00 0.00 O ATOM 2088 CB LEU B 161 -6.220 8.544 2.228 1.00 0.00 C ATOM 2089 CG LEU B 161 -6.986 8.001 1.007 1.00 0.00 C ATOM 2090 CD1 LEU B 161 -6.555 6.584 0.615 1.00 0.00 C ATOM 2091 CD2 LEU B 161 -8.483 7.985 1.307 1.00 0.00 C ATOM 0 H LEU B 161 -4.780 9.407 4.006 1.00 0.00 H new ATOM 0 HA LEU B 161 -4.309 7.649 1.798 1.00 0.00 H new ATOM 0 HB2 LEU B 161 -6.433 7.905 3.085 1.00 0.00 H new ATOM 0 HB3 LEU B 161 -6.603 9.536 2.467 1.00 0.00 H new ATOM 0 HG LEU B 161 -6.756 8.664 0.173 1.00 0.00 H new ATOM 0 HD11 LEU B 161 -7.129 6.256 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU B 161 -5.493 6.582 0.368 1.00 0.00 H new ATOM 0 HD13 LEU B 161 -6.735 5.905 1.449 1.00 0.00 H new ATOM 0 HD21 LEU B 161 -9.023 7.601 0.442 1.00 0.00 H new ATOM 0 HD22 LEU B 161 -8.675 7.345 2.168 1.00 0.00 H new ATOM 0 HD23 LEU B 161 -8.821 8.998 1.525 1.00 0.00 H new ATOM 2103 N SER B 162 -4.191 10.853 1.082 1.00 0.00 N ATOM 2104 CA SER B 162 -3.680 11.820 0.091 1.00 0.00 C ATOM 2105 C SER B 162 -2.176 11.696 -0.186 1.00 0.00 C ATOM 2106 O SER B 162 -1.699 12.184 -1.215 1.00 0.00 O ATOM 2107 CB SER B 162 -3.979 13.261 0.521 1.00 0.00 C ATOM 2108 OG SER B 162 -5.367 13.484 0.678 1.00 0.00 O ATOM 0 H SER B 162 -4.468 11.287 1.963 1.00 0.00 H new ATOM 0 HA SER B 162 -4.205 11.576 -0.832 1.00 0.00 H new ATOM 0 HB2 SER B 162 -3.468 13.474 1.460 1.00 0.00 H new ATOM 0 HB3 SER B 162 -3.581 13.952 -0.222 1.00 0.00 H new ATOM 0 HG SER B 162 -5.631 13.269 1.597 1.00 0.00 H new ATOM 2114 N ARG B 163 -1.403 11.065 0.712 1.00 0.00 N ATOM 2115 CA ARG B 163 0.000 10.686 0.503 1.00 0.00 C ATOM 2116 C ARG B 163 0.092 9.411 -0.339 1.00 0.00 C ATOM 2117 O ARG B 163 0.732 9.404 -1.388 1.00 0.00 O ATOM 2118 CB ARG B 163 0.711 10.515 1.863 1.00 0.00 C ATOM 2119 CG ARG B 163 2.157 11.023 1.830 1.00 0.00 C ATOM 2120 CD ARG B 163 2.240 12.550 2.007 1.00 0.00 C ATOM 2121 NE ARG B 163 2.013 12.958 3.413 1.00 0.00 N ATOM 2122 CZ ARG B 163 2.913 12.971 4.383 1.00 0.00 C ATOM 2123 NH1 ARG B 163 4.152 12.595 4.214 1.00 0.00 N1+ ATOM 2124 NH2 ARG B 163 2.581 13.368 5.579 1.00 0.00 N ATOM 0 H ARG B 163 -1.750 10.797 1.633 1.00 0.00 H new ATOM 0 HA ARG B 163 0.505 11.481 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG B 163 0.156 11.054 2.631 1.00 0.00 H new ATOM 0 HB3 ARG B 163 0.704 9.462 2.144 1.00 0.00 H new ATOM 0 HG2 ARG B 163 2.730 10.536 2.619 1.00 0.00 H new ATOM 0 HG3 ARG B 163 2.617 10.743 0.882 1.00 0.00 H new ATOM 0 HD2 ARG B 163 3.220 12.900 1.681 1.00 0.00 H new ATOM 0 HD3 ARG B 163 1.501 13.030 1.366 1.00 0.00 H new ATOM 0 HE ARG B 163 1.070 13.259 3.658 1.00 0.00 H new ATOM 0 HH11 ARG B 163 4.466 12.271 3.299 1.00 0.00 H new ATOM 0 HH12 ARG B 163 4.805 12.625 4.997 1.00 0.00 H new ATOM 0 HH21 ARG B 163 1.625 13.670 5.769 1.00 0.00 H new ATOM 0 HH22 ARG B 163 3.277 13.377 6.325 1.00 0.00 H new ATOM 2138 N LEU B 164 -0.601 8.354 0.076 1.00 0.00 N ATOM 2139 CA LEU B 164 -0.579 7.042 -0.580 1.00 0.00 C ATOM 2140 C LEU B 164 -1.165 7.065 -2.008 1.00 0.00 C ATOM 2141 O LEU B 164 -0.742 6.284 -2.859 1.00 0.00 O ATOM 2142 CB LEU B 164 -1.312 6.019 0.317 1.00 0.00 C ATOM 2143 CG LEU B 164 -0.407 5.340 1.365 1.00 0.00 C ATOM 2144 CD1 LEU B 164 0.131 6.238 2.478 1.00 0.00 C ATOM 2145 CD2 LEU B 164 -1.180 4.198 2.025 1.00 0.00 C ATOM 0 H LEU B 164 -1.208 8.382 0.895 1.00 0.00 H new ATOM 0 HA LEU B 164 0.463 6.746 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -2.130 6.523 0.831 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -1.758 5.251 -0.315 1.00 0.00 H new ATOM 0 HG LEU B 164 0.464 5.009 0.799 1.00 0.00 H new ATOM 0 HD11 LEU B 164 0.753 5.649 3.152 1.00 0.00 H new ATOM 0 HD12 LEU B 164 0.727 7.040 2.042 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -0.702 6.666 3.035 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -0.547 3.712 2.768 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -2.071 4.595 2.511 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -1.473 3.472 1.267 1.00 0.00 H new ATOM 2157 N SER B 165 -2.078 7.990 -2.325 1.00 0.00 N ATOM 2158 CA SER B 165 -2.555 8.203 -3.703 1.00 0.00 C ATOM 2159 C SER B 165 -1.456 8.719 -4.653 1.00 0.00 C ATOM 2160 O SER B 165 -1.479 8.382 -5.839 1.00 0.00 O ATOM 2161 CB SER B 165 -3.768 9.139 -3.715 1.00 0.00 C ATOM 2162 OG SER B 165 -3.406 10.454 -3.344 1.00 0.00 O ATOM 0 H SER B 165 -2.508 8.611 -1.640 1.00 0.00 H new ATOM 0 HA SER B 165 -2.854 7.226 -4.082 1.00 0.00 H new ATOM 0 HB2 SER B 165 -4.212 9.149 -4.710 1.00 0.00 H new ATOM 0 HB3 SER B 165 -4.528 8.762 -3.030 1.00 0.00 H new ATOM 0 HG SER B 165 -4.204 11.023 -3.337 1.00 0.00 H new ATOM 2168 N ARG B 166 -0.446 9.451 -4.153 1.00 0.00 N ATOM 2169 CA ARG B 166 0.681 9.988 -4.944 1.00 0.00 C ATOM 2170 C ARG B 166 1.785 8.963 -5.216 1.00 0.00 C ATOM 2171 O ARG B 166 2.294 8.893 -6.336 1.00 0.00 O ATOM 2172 CB ARG B 166 1.284 11.208 -4.218 1.00 0.00 C ATOM 2173 CG ARG B 166 0.277 12.352 -4.046 1.00 0.00 C ATOM 2174 CD ARG B 166 0.807 13.420 -3.084 1.00 0.00 C ATOM 2175 NE ARG B 166 -0.228 14.430 -2.814 1.00 0.00 N ATOM 2176 CZ ARG B 166 -0.351 15.633 -3.338 1.00 0.00 C ATOM 2177 NH1 ARG B 166 0.525 16.136 -4.162 1.00 0.00 N1+ ATOM 2178 NH2 ARG B 166 -1.375 16.389 -3.053 1.00 0.00 N ATOM 0 H ARG B 166 -0.387 9.693 -3.164 1.00 0.00 H new ATOM 0 HA ARG B 166 0.272 10.271 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG B 166 1.648 10.899 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG B 166 2.146 11.570 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG B 166 0.068 12.804 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG B 166 -0.666 11.956 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG B 166 1.120 12.953 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG B 166 1.688 13.899 -3.512 1.00 0.00 H new ATOM 0 HE ARG B 166 -0.941 14.165 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG B 166 1.347 15.593 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG B 166 0.388 17.072 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG B 166 -2.096 16.052 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG B 166 -1.454 17.318 -3.468 1.00 0.00 H new ATOM 2192 N LEU B 167 2.148 8.177 -4.197 1.00 0.00 N ATOM 2193 CA LEU B 167 3.261 7.216 -4.210 1.00 0.00 C ATOM 2194 C LEU B 167 3.026 6.057 -5.202 1.00 0.00 C ATOM 2195 O LEU B 167 1.891 5.627 -5.432 1.00 0.00 O ATOM 2196 CB LEU B 167 3.505 6.695 -2.774 1.00 0.00 C ATOM 2197 CG LEU B 167 4.524 7.526 -1.955 1.00 0.00 C ATOM 2198 CD1 LEU B 167 4.169 9.005 -1.820 1.00 0.00 C ATOM 2199 CD2 LEU B 167 4.645 6.953 -0.541 1.00 0.00 C ATOM 0 H LEU B 167 1.656 8.192 -3.304 1.00 0.00 H new ATOM 0 HA LEU B 167 4.155 7.732 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU B 167 2.555 6.680 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU B 167 3.856 5.665 -2.829 1.00 0.00 H new ATOM 0 HG LEU B 167 5.459 7.459 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU B 167 4.935 9.511 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU B 167 4.113 9.458 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU B 167 3.205 9.104 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.363 7.542 0.030 1.00 0.00 H new ATOM 0 HD22 LEU B 167 3.673 6.990 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.985 5.919 -0.595 1.00 0.00 H new ATOM 2211 N SER B 168 4.100 5.529 -5.787 1.00 0.00 N ATOM 2212 CA SER B 168 4.069 4.358 -6.683 1.00 0.00 C ATOM 2213 C SER B 168 3.741 3.054 -5.945 1.00 0.00 C ATOM 2214 O SER B 168 3.902 2.964 -4.729 1.00 0.00 O ATOM 2215 CB SER B 168 5.411 4.208 -7.409 1.00 0.00 C ATOM 2216 OG SER B 168 6.426 3.738 -6.537 1.00 0.00 O ATOM 0 H SER B 168 5.038 5.906 -5.653 1.00 0.00 H new ATOM 0 HA SER B 168 3.270 4.538 -7.403 1.00 0.00 H new ATOM 0 HB2 SER B 168 5.299 3.516 -8.244 1.00 0.00 H new ATOM 0 HB3 SER B 168 5.708 5.169 -7.829 1.00 0.00 H new ATOM 0 HG SER B 168 7.268 3.652 -7.031 1.00 0.00 H new ATOM 2222 N LYS B 169 3.334 2.007 -6.669 1.00 0.00 N ATOM 2223 CA LYS B 169 3.130 0.651 -6.117 1.00 0.00 C ATOM 2224 C LYS B 169 4.376 0.102 -5.401 1.00 0.00 C ATOM 2225 O LYS B 169 4.253 -0.541 -4.361 1.00 0.00 O ATOM 2226 CB LYS B 169 2.638 -0.271 -7.247 1.00 0.00 C ATOM 2227 CG LYS B 169 2.433 -1.716 -6.763 1.00 0.00 C ATOM 2228 CD LYS B 169 1.452 -2.494 -7.640 1.00 0.00 C ATOM 2229 CE LYS B 169 1.405 -3.952 -7.167 1.00 0.00 C ATOM 2230 NZ LYS B 169 0.388 -4.734 -7.909 1.00 0.00 N1+ ATOM 0 H LYS B 169 3.133 2.071 -7.667 1.00 0.00 H new ATOM 0 HA LYS B 169 2.368 0.698 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS B 169 1.700 0.114 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS B 169 3.360 -0.261 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS B 169 3.393 -2.232 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS B 169 2.066 -1.703 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS B 169 0.459 -2.047 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS B 169 1.762 -2.447 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS B 169 2.385 -4.410 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS B 169 1.181 -3.982 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 0.647 -5.741 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -0.542 -4.609 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 0.344 -4.401 -8.893 1.00 0.00 H new ATOM 2244 N ASN B 170 5.569 0.412 -5.903 1.00 0.00 N ATOM 2245 CA ASN B 170 6.842 0.073 -5.262 1.00 0.00 C ATOM 2246 C ASN B 170 7.031 0.824 -3.925 1.00 0.00 C ATOM 2247 O ASN B 170 7.395 0.209 -2.925 1.00 0.00 O ATOM 2248 CB ASN B 170 7.990 0.365 -6.250 1.00 0.00 C ATOM 2249 CG ASN B 170 7.831 -0.354 -7.575 1.00 0.00 C ATOM 2250 OD1 ASN B 170 8.503 -1.463 -7.772 1.00 0.00 O flip ATOM 2251 ND2 ASN B 170 7.100 0.075 -8.457 1.00 0.00 N flip ATOM 0 H ASN B 170 5.683 0.915 -6.783 1.00 0.00 H new ATOM 0 HA ASN B 170 6.845 -0.988 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN B 170 8.042 1.439 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN B 170 8.936 0.072 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN B 170 6.575 0.937 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN B 170 7.016 -0.429 -9.340 1.00 0.00 H new ATOM 2258 N GLN B 171 6.735 2.128 -3.878 1.00 0.00 N ATOM 2259 CA GLN B 171 6.761 2.929 -2.644 1.00 0.00 C ATOM 2260 C GLN B 171 5.682 2.501 -1.630 1.00 0.00 C ATOM 2261 O GLN B 171 5.954 2.447 -0.428 1.00 0.00 O ATOM 2262 CB GLN B 171 6.584 4.409 -3.003 1.00 0.00 C ATOM 2263 CG GLN B 171 7.824 5.034 -3.661 1.00 0.00 C ATOM 2264 CD GLN B 171 7.568 6.474 -4.098 1.00 0.00 C ATOM 2265 OE1 GLN B 171 6.665 6.766 -4.876 1.00 0.00 O ATOM 2266 NE2 GLN B 171 8.324 7.439 -3.612 1.00 0.00 N ATOM 0 H GLN B 171 6.468 2.664 -4.703 1.00 0.00 H new ATOM 0 HA GLN B 171 7.725 2.763 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN B 171 5.734 4.512 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN B 171 6.342 4.967 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN B 171 8.659 5.010 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN B 171 8.116 4.438 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN B 171 9.080 7.217 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN B 171 8.153 8.407 -3.884 1.00 0.00 H new ATOM 2275 N LEU B 172 4.481 2.147 -2.098 1.00 0.00 N ATOM 2276 CA LEU B 172 3.385 1.601 -1.283 1.00 0.00 C ATOM 2277 C LEU B 172 3.786 0.286 -0.601 1.00 0.00 C ATOM 2278 O LEU B 172 3.559 0.123 0.599 1.00 0.00 O ATOM 2279 CB LEU B 172 2.128 1.401 -2.149 1.00 0.00 C ATOM 2280 CG LEU B 172 1.412 2.703 -2.555 1.00 0.00 C ATOM 2281 CD1 LEU B 172 0.310 2.418 -3.573 1.00 0.00 C ATOM 2282 CD2 LEU B 172 0.766 3.377 -1.347 1.00 0.00 C ATOM 0 H LEU B 172 4.235 2.234 -3.084 1.00 0.00 H new ATOM 0 HA LEU B 172 3.163 2.322 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU B 172 2.408 0.860 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU B 172 1.425 0.770 -1.605 1.00 0.00 H new ATOM 0 HG LEU B 172 2.168 3.359 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -0.183 3.351 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU B 172 0.745 1.963 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -0.420 1.736 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU B 172 0.268 4.293 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU B 172 0.035 2.702 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU B 172 1.533 3.617 -0.611 1.00 0.00 H new ATOM 2294 N MET B 173 4.441 -0.623 -1.335 1.00 0.00 N ATOM 2295 CA MET B 173 5.043 -1.827 -0.753 1.00 0.00 C ATOM 2296 C MET B 173 6.133 -1.499 0.278 1.00 0.00 C ATOM 2297 O MET B 173 6.155 -2.095 1.352 1.00 0.00 O ATOM 2298 CB MET B 173 5.610 -2.728 -1.865 1.00 0.00 C ATOM 2299 CG MET B 173 4.512 -3.540 -2.556 1.00 0.00 C ATOM 2300 SD MET B 173 5.111 -4.882 -3.626 1.00 0.00 S ATOM 2301 CE MET B 173 5.630 -3.943 -5.089 1.00 0.00 C ATOM 0 H MET B 173 4.568 -0.544 -2.344 1.00 0.00 H new ATOM 0 HA MET B 173 4.253 -2.359 -0.223 1.00 0.00 H new ATOM 0 HB2 MET B 173 6.126 -2.113 -2.603 1.00 0.00 H new ATOM 0 HB3 MET B 173 6.351 -3.406 -1.441 1.00 0.00 H new ATOM 0 HG2 MET B 173 3.861 -3.967 -1.793 1.00 0.00 H new ATOM 0 HG3 MET B 173 3.902 -2.863 -3.154 1.00 0.00 H new ATOM 0 HE1 MET B 173 4.959 -4.163 -5.919 1.00 0.00 H new ATOM 0 HE2 MET B 173 5.596 -2.876 -4.867 1.00 0.00 H new ATOM 0 HE3 MET B 173 6.647 -4.225 -5.360 1.00 0.00 H new ATOM 2311 N ALA B 174 7.012 -0.536 -0.010 1.00 0.00 N ATOM 2312 CA ALA B 174 8.131 -0.187 0.860 1.00 0.00 C ATOM 2313 C ALA B 174 7.699 0.439 2.201 1.00 0.00 C ATOM 2314 O ALA B 174 8.157 -0.016 3.251 1.00 0.00 O ATOM 2315 CB ALA B 174 9.087 0.723 0.082 1.00 0.00 C ATOM 0 H ALA B 174 6.964 0.026 -0.860 1.00 0.00 H new ATOM 0 HA ALA B 174 8.642 -1.107 1.143 1.00 0.00 H new ATOM 0 HB1 ALA B 174 9.930 0.994 0.718 1.00 0.00 H new ATOM 0 HB2 ALA B 174 9.452 0.198 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA B 174 8.560 1.626 -0.226 1.00 0.00 H new ATOM 2321 N LEU B 175 6.799 1.439 2.202 1.00 0.00 N ATOM 2322 CA LEU B 175 6.325 2.089 3.434 1.00 0.00 C ATOM 2323 C LEU B 175 5.575 1.109 4.343 1.00 0.00 C ATOM 2324 O LEU B 175 5.803 1.087 5.559 1.00 0.00 O ATOM 2325 CB LEU B 175 5.521 3.369 3.101 1.00 0.00 C ATOM 2326 CG LEU B 175 4.061 3.187 2.633 1.00 0.00 C ATOM 2327 CD1 LEU B 175 3.057 3.274 3.789 1.00 0.00 C ATOM 2328 CD2 LEU B 175 3.691 4.286 1.642 1.00 0.00 C ATOM 0 H LEU B 175 6.382 1.817 1.351 1.00 0.00 H new ATOM 0 HA LEU B 175 7.191 2.410 4.013 1.00 0.00 H new ATOM 0 HB2 LEU B 175 5.514 4.003 3.987 1.00 0.00 H new ATOM 0 HB3 LEU B 175 6.059 3.913 2.324 1.00 0.00 H new ATOM 0 HG LEU B 175 4.007 2.196 2.182 1.00 0.00 H new ATOM 0 HD11 LEU B 175 2.046 3.139 3.404 1.00 0.00 H new ATOM 0 HD12 LEU B 175 3.274 2.494 4.519 1.00 0.00 H new ATOM 0 HD13 LEU B 175 3.136 4.250 4.267 1.00 0.00 H new ATOM 0 HD21 LEU B 175 2.660 4.150 1.317 1.00 0.00 H new ATOM 0 HD22 LEU B 175 3.795 5.259 2.122 1.00 0.00 H new ATOM 0 HD23 LEU B 175 4.354 4.235 0.778 1.00 0.00 H new ATOM 2340 N ALA B 176 4.749 0.240 3.755 1.00 0.00 N ATOM 2341 CA ALA B 176 3.997 -0.798 4.460 1.00 0.00 C ATOM 2342 C ALA B 176 4.907 -1.862 5.106 1.00 0.00 C ATOM 2343 O ALA B 176 4.660 -2.280 6.238 1.00 0.00 O ATOM 2344 CB ALA B 176 3.018 -1.418 3.460 1.00 0.00 C ATOM 0 H ALA B 176 4.581 0.240 2.749 1.00 0.00 H new ATOM 0 HA ALA B 176 3.456 -0.349 5.293 1.00 0.00 H new ATOM 0 HB1 ALA B 176 2.439 -2.198 3.954 1.00 0.00 H new ATOM 0 HB2 ALA B 176 2.344 -0.648 3.086 1.00 0.00 H new ATOM 0 HB3 ALA B 176 3.573 -1.850 2.627 1.00 0.00 H new ATOM 2350 N LEU B 177 5.984 -2.272 4.420 1.00 0.00 N ATOM 2351 CA LEU B 177 6.975 -3.217 4.954 1.00 0.00 C ATOM 2352 C LEU B 177 7.769 -2.581 6.110 1.00 0.00 C ATOM 2353 O LEU B 177 7.863 -3.179 7.184 1.00 0.00 O ATOM 2354 CB LEU B 177 7.852 -3.710 3.787 1.00 0.00 C ATOM 2355 CG LEU B 177 8.768 -4.932 4.021 1.00 0.00 C ATOM 2356 CD1 LEU B 177 9.963 -4.657 4.935 1.00 0.00 C ATOM 2357 CD2 LEU B 177 8.000 -6.143 4.556 1.00 0.00 C ATOM 0 H LEU B 177 6.193 -1.955 3.473 1.00 0.00 H new ATOM 0 HA LEU B 177 6.489 -4.089 5.392 1.00 0.00 H new ATOM 0 HB2 LEU B 177 7.192 -3.945 2.952 1.00 0.00 H new ATOM 0 HB3 LEU B 177 8.482 -2.879 3.471 1.00 0.00 H new ATOM 0 HG LEU B 177 9.159 -5.156 3.028 1.00 0.00 H new ATOM 0 HD11 LEU B 177 10.553 -5.567 5.046 1.00 0.00 H new ATOM 0 HD12 LEU B 177 10.582 -3.874 4.498 1.00 0.00 H new ATOM 0 HD13 LEU B 177 9.606 -4.334 5.913 1.00 0.00 H new ATOM 0 HD21 LEU B 177 8.689 -6.975 4.703 1.00 0.00 H new ATOM 0 HD22 LEU B 177 7.532 -5.886 5.507 1.00 0.00 H new ATOM 0 HD23 LEU B 177 7.231 -6.432 3.840 1.00 0.00 H new ATOM 2369 N LYS B 178 8.251 -1.337 5.943 1.00 0.00 N ATOM 2370 CA LYS B 178 9.005 -0.600 6.984 1.00 0.00 C ATOM 2371 C LYS B 178 8.199 -0.418 8.275 1.00 0.00 C ATOM 2372 O LYS B 178 8.696 -0.776 9.345 1.00 0.00 O ATOM 2373 CB LYS B 178 9.495 0.764 6.464 1.00 0.00 C ATOM 2374 CG LYS B 178 10.700 0.625 5.524 1.00 0.00 C ATOM 2375 CD LYS B 178 11.206 2.014 5.100 1.00 0.00 C ATOM 2376 CE LYS B 178 12.380 1.935 4.111 1.00 0.00 C ATOM 2377 NZ LYS B 178 13.629 1.439 4.746 1.00 0.00 N1+ ATOM 0 H LYS B 178 8.130 -0.808 5.079 1.00 0.00 H new ATOM 0 HA LYS B 178 9.873 -1.214 7.224 1.00 0.00 H new ATOM 0 HB2 LYS B 178 8.682 1.264 5.938 1.00 0.00 H new ATOM 0 HB3 LYS B 178 9.766 1.397 7.309 1.00 0.00 H new ATOM 0 HG2 LYS B 178 11.498 0.076 6.023 1.00 0.00 H new ATOM 0 HG3 LYS B 178 10.419 0.048 4.643 1.00 0.00 H new ATOM 0 HD2 LYS B 178 10.388 2.572 4.644 1.00 0.00 H new ATOM 0 HD3 LYS B 178 11.517 2.570 5.985 1.00 0.00 H new ATOM 0 HE2 LYS B 178 12.111 1.277 3.285 1.00 0.00 H new ATOM 0 HE3 LYS B 178 12.560 2.923 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 178 14.389 1.405 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 178 13.904 2.080 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 178 13.469 0.485 5.128 1.00 0.00 H new ATOM 2391 N LEU B 179 6.951 0.066 8.189 1.00 0.00 N ATOM 2392 CA LEU B 179 6.122 0.328 9.373 1.00 0.00 C ATOM 2393 C LEU B 179 5.717 -0.958 10.116 1.00 0.00 C ATOM 2394 O LEU B 179 5.525 -0.918 11.334 1.00 0.00 O ATOM 2395 CB LEU B 179 4.937 1.255 9.023 1.00 0.00 C ATOM 2396 CG LEU B 179 3.767 0.653 8.218 1.00 0.00 C ATOM 2397 CD1 LEU B 179 2.735 -0.064 9.099 1.00 0.00 C ATOM 2398 CD2 LEU B 179 3.012 1.773 7.501 1.00 0.00 C ATOM 0 H LEU B 179 6.492 0.285 7.305 1.00 0.00 H new ATOM 0 HA LEU B 179 6.733 0.871 10.094 1.00 0.00 H new ATOM 0 HB2 LEU B 179 4.534 1.650 9.956 1.00 0.00 H new ATOM 0 HB3 LEU B 179 5.329 2.103 8.461 1.00 0.00 H new ATOM 0 HG LEU B 179 4.214 -0.065 7.531 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.938 -0.465 8.473 1.00 0.00 H new ATOM 0 HD12 LEU B 179 3.219 -0.879 9.636 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.314 0.642 9.814 1.00 0.00 H new ATOM 0 HD21 LEU B 179 2.185 1.348 6.932 1.00 0.00 H new ATOM 0 HD22 LEU B 179 2.623 2.478 8.236 1.00 0.00 H new ATOM 0 HD23 LEU B 179 3.689 2.293 6.823 1.00 0.00 H new ATOM 2410 N LYS B 180 5.630 -2.101 9.414 1.00 0.00 N ATOM 2411 CA LYS B 180 5.404 -3.426 10.018 1.00 0.00 C ATOM 2412 C LYS B 180 6.663 -3.966 10.709 1.00 0.00 C ATOM 2413 O LYS B 180 6.585 -4.468 11.830 1.00 0.00 O ATOM 2414 CB LYS B 180 4.893 -4.396 8.936 1.00 0.00 C ATOM 2415 CG LYS B 180 4.462 -5.740 9.543 1.00 0.00 C ATOM 2416 CD LYS B 180 3.882 -6.680 8.484 1.00 0.00 C ATOM 2417 CE LYS B 180 3.364 -7.953 9.166 1.00 0.00 C ATOM 2418 NZ LYS B 180 2.834 -8.924 8.175 1.00 0.00 N1+ ATOM 0 H LYS B 180 5.716 -2.131 8.398 1.00 0.00 H new ATOM 0 HA LYS B 180 4.648 -3.329 10.797 1.00 0.00 H new ATOM 0 HB2 LYS B 180 4.051 -3.946 8.411 1.00 0.00 H new ATOM 0 HB3 LYS B 180 5.676 -4.564 8.197 1.00 0.00 H new ATOM 0 HG2 LYS B 180 5.319 -6.215 10.021 1.00 0.00 H new ATOM 0 HG3 LYS B 180 3.719 -5.566 10.321 1.00 0.00 H new ATOM 0 HD2 LYS B 180 3.072 -6.186 7.947 1.00 0.00 H new ATOM 0 HD3 LYS B 180 4.645 -6.933 7.748 1.00 0.00 H new ATOM 0 HE2 LYS B 180 4.170 -8.416 9.735 1.00 0.00 H new ATOM 0 HE3 LYS B 180 2.580 -7.693 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 180 2.162 -9.565 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 180 2.349 -8.411 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 180 3.620 -9.477 7.776 1.00 0.00 H new ATOM 2432 N GLN B 181 7.826 -3.831 10.078 1.00 0.00 N ATOM 2433 CA GLN B 181 9.093 -4.375 10.576 1.00 0.00 C ATOM 2434 C GLN B 181 9.533 -3.703 11.888 1.00 0.00 C ATOM 2435 O GLN B 181 10.030 -4.373 12.794 1.00 0.00 O ATOM 2436 CB GLN B 181 10.147 -4.256 9.463 1.00 0.00 C ATOM 2437 CG GLN B 181 11.551 -4.716 9.911 1.00 0.00 C ATOM 2438 CD GLN B 181 12.455 -5.065 8.730 1.00 0.00 C ATOM 2439 OE1 GLN B 181 12.995 -6.161 8.631 1.00 0.00 O ATOM 2440 NE2 GLN B 181 12.648 -4.166 7.784 1.00 0.00 N ATOM 0 H GLN B 181 7.920 -3.334 9.192 1.00 0.00 H new ATOM 0 HA GLN B 181 8.965 -5.428 10.827 1.00 0.00 H new ATOM 0 HB2 GLN B 181 9.832 -4.852 8.606 1.00 0.00 H new ATOM 0 HB3 GLN B 181 10.199 -3.220 9.129 1.00 0.00 H new ATOM 0 HG2 GLN B 181 12.017 -3.927 10.501 1.00 0.00 H new ATOM 0 HG3 GLN B 181 11.455 -5.586 10.561 1.00 0.00 H new ATOM 0 HE21 GLN B 181 12.205 -3.250 7.853 1.00 0.00 H new ATOM 0 HE22 GLN B 181 13.240 -4.387 6.983 1.00 0.00 H new ATOM 2449 N GLN B 182 9.317 -2.389 12.013 1.00 0.00 N ATOM 2450 CA GLN B 182 9.657 -1.624 13.216 1.00 0.00 C ATOM 2451 C GLN B 182 8.650 -1.787 14.372 1.00 0.00 C ATOM 2452 O GLN B 182 9.055 -1.716 15.536 1.00 0.00 O ATOM 2453 CB GLN B 182 9.900 -0.154 12.825 1.00 0.00 C ATOM 2454 CG GLN B 182 8.672 0.608 12.291 1.00 0.00 C ATOM 2455 CD GLN B 182 7.861 1.314 13.378 1.00 0.00 C ATOM 2456 OE1 GLN B 182 8.377 2.046 14.217 1.00 0.00 O ATOM 2457 NE2 GLN B 182 6.565 1.115 13.423 1.00 0.00 N ATOM 0 H GLN B 182 8.898 -1.823 11.276 1.00 0.00 H new ATOM 0 HA GLN B 182 10.578 -2.037 13.627 1.00 0.00 H new ATOM 0 HB2 GLN B 182 10.282 0.376 13.697 1.00 0.00 H new ATOM 0 HB3 GLN B 182 10.682 -0.124 12.066 1.00 0.00 H new ATOM 0 HG2 GLN B 182 9.004 1.347 11.561 1.00 0.00 H new ATOM 0 HG3 GLN B 182 8.023 -0.092 11.764 1.00 0.00 H new ATOM 0 HE21 GLN B 182 6.118 0.510 12.734 1.00 0.00 H new ATOM 0 HE22 GLN B 182 6.005 1.565 14.147 1.00 0.00 H new