USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 94 HIS :FLIP no HD1:sc= -1.26! F(o=-5.1,f=-0.076!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 137:sc= 0.595 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 24 SER OG : rot 130:sc= -2.18 USER MOD Single : A 26 ASN : amide:sc= -1.15 K(o=-1.1,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -100:sc= 1.21 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 HIS : no HD1:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.162) USER MOD Single : A 66 THR OG1 : rot 119:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -75:sc= -0.523 USER MOD Single : A 93 GLN : amide:sc= -0.548 K(o=-0.55,f=-11!) USER MOD Single : A 95 SER OG : rot -39:sc= 0.933 USER MOD Single : A 96 SER OG : rot -18:sc= -1.66 USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= -0.0253 (180deg=-0.0969) USER MOD Single : A 104 HIS : no HD1:sc= -1.98 X(o=-2,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -11.749 7.702 -8.144 1.00 0.00 N ATOM 183 CA SER A 11 -11.574 6.529 -7.293 1.00 0.00 C ATOM 184 C SER A 11 -12.553 6.570 -6.120 1.00 0.00 C ATOM 185 O SER A 11 -12.191 6.298 -4.974 1.00 0.00 O ATOM 186 CB SER A 11 -10.142 6.471 -6.756 1.00 0.00 C ATOM 187 OG SER A 11 -9.316 5.789 -7.691 1.00 0.00 O ATOM 0 HA SER A 11 -11.770 5.641 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.764 7.479 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.123 5.958 -5.794 1.00 0.00 H new ATOM 0 HG SER A 11 -8.398 5.752 -7.350 1.00 0.00 H new ATOM 193 N ASP A 12 -13.804 6.913 -6.423 1.00 0.00 N ATOM 194 CA ASP A 12 -14.837 6.991 -5.390 1.00 0.00 C ATOM 195 C ASP A 12 -15.003 5.643 -4.693 1.00 0.00 C ATOM 196 O ASP A 12 -15.125 5.571 -3.469 1.00 0.00 O ATOM 197 CB ASP A 12 -16.178 7.400 -6.003 1.00 0.00 C ATOM 198 CG ASP A 12 -16.518 6.463 -7.158 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.116 6.758 -8.272 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.175 5.465 -6.912 1.00 0.00 O ATOM 0 H ASP A 12 -14.125 7.139 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.525 7.740 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.962 7.361 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.128 8.429 -6.359 1.00 0.00 H new ATOM 205 N ALA A 13 -15.003 4.576 -5.485 1.00 0.00 N ATOM 206 CA ALA A 13 -15.150 3.231 -4.934 1.00 0.00 C ATOM 207 C ALA A 13 -13.929 2.860 -4.098 1.00 0.00 C ATOM 208 O ALA A 13 -14.026 2.107 -3.130 1.00 0.00 O ATOM 209 CB ALA A 13 -15.313 2.206 -6.059 1.00 0.00 C ATOM 0 H ALA A 13 -14.904 4.613 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.039 3.222 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.421 1.210 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.200 2.447 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.434 2.230 -6.703 1.00 0.00 H new ATOM 215 N CYS A 14 -12.776 3.399 -4.485 1.00 0.00 N ATOM 216 CA CYS A 14 -11.534 3.120 -3.767 1.00 0.00 C ATOM 217 C CYS A 14 -11.481 3.869 -2.430 1.00 0.00 C ATOM 218 O CYS A 14 -10.677 3.540 -1.560 1.00 0.00 O ATOM 219 CB CYS A 14 -10.330 3.534 -4.615 1.00 0.00 C ATOM 220 SG CYS A 14 -8.932 2.434 -4.274 1.00 0.00 S ATOM 0 H CYS A 14 -12.675 4.025 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.502 2.048 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.587 3.492 -5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.055 4.565 -4.394 1.00 0.00 H new ATOM 225 N LYS A 15 -12.336 4.882 -2.276 1.00 0.00 N ATOM 226 CA LYS A 15 -12.355 5.664 -1.039 1.00 0.00 C ATOM 227 C LYS A 15 -13.007 4.882 0.103 1.00 0.00 C ATOM 228 O LYS A 15 -12.750 5.150 1.276 1.00 0.00 O ATOM 229 CB LYS A 15 -13.127 6.970 -1.243 1.00 0.00 C ATOM 230 CG LYS A 15 -12.922 7.880 -0.029 1.00 0.00 C ATOM 231 CD LYS A 15 -13.574 9.239 -0.291 1.00 0.00 C ATOM 232 CE LYS A 15 -14.057 9.837 1.032 1.00 0.00 C ATOM 233 NZ LYS A 15 -14.578 11.221 0.846 1.00 0.00 N ATOM 0 H LYS A 15 -13.013 5.176 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.319 5.881 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.783 7.471 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.188 6.760 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.357 7.422 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.857 8.008 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.860 9.911 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.412 9.126 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.839 9.206 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.236 9.849 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.897 11.598 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.824 11.828 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.377 11.205 0.181 1.00 0.00 H new ATOM 247 N ALA A 16 -13.860 3.920 -0.248 1.00 0.00 N ATOM 248 CA ALA A 16 -14.550 3.119 0.763 1.00 0.00 C ATOM 249 C ALA A 16 -13.554 2.403 1.676 1.00 0.00 C ATOM 250 O ALA A 16 -13.473 2.689 2.871 1.00 0.00 O ATOM 251 CB ALA A 16 -15.448 2.076 0.096 1.00 0.00 C ATOM 0 H ALA A 16 -14.088 3.678 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.155 3.800 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.954 1.488 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.190 2.578 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.841 1.417 -0.525 1.00 0.00 H new ATOM 257 N GLU A 17 -12.811 1.461 1.104 1.00 0.00 N ATOM 258 CA GLU A 17 -11.836 0.698 1.883 1.00 0.00 C ATOM 259 C GLU A 17 -10.529 1.473 2.039 1.00 0.00 C ATOM 260 O GLU A 17 -10.132 1.825 3.149 1.00 0.00 O ATOM 261 CB GLU A 17 -11.539 -0.644 1.206 1.00 0.00 C ATOM 262 CG GLU A 17 -10.663 -1.506 2.122 1.00 0.00 C ATOM 263 CD GLU A 17 -10.759 -2.965 1.690 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.839 -3.523 1.791 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.751 -3.503 1.263 1.00 0.00 O ATOM 0 H GLU A 17 -12.862 1.208 0.117 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.269 0.525 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.471 -1.164 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.033 -0.478 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.627 -1.169 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.986 -1.400 3.158 1.00 0.00 H new ATOM 272 N SER A 18 -9.857 1.716 0.918 1.00 0.00 N ATOM 273 CA SER A 18 -8.582 2.429 0.947 1.00 0.00 C ATOM 274 C SER A 18 -8.781 3.914 1.283 1.00 0.00 C ATOM 275 O SER A 18 -8.697 4.307 2.446 1.00 0.00 O ATOM 276 CB SER A 18 -7.847 2.285 -0.394 1.00 0.00 C ATOM 277 OG SER A 18 -8.774 1.910 -1.405 1.00 0.00 O ATOM 0 H SER A 18 -10.168 1.434 -0.012 1.00 0.00 H new ATOM 0 HA SER A 18 -7.973 1.980 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.364 3.226 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.060 1.535 -0.311 1.00 0.00 H new ATOM 0 HG SER A 18 -8.602 2.432 -2.217 1.00 0.00 H new ATOM 283 N GLY A 19 -9.033 4.744 0.265 1.00 0.00 N ATOM 284 CA GLY A 19 -9.221 6.180 0.492 1.00 0.00 C ATOM 285 C GLY A 19 -8.046 6.771 1.276 1.00 0.00 C ATOM 286 O GLY A 19 -8.189 7.771 1.979 1.00 0.00 O ATOM 0 H GLY A 19 -9.111 4.452 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.319 6.693 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.149 6.347 1.040 1.00 0.00 H new ATOM 290 N VAL A 20 -6.882 6.133 1.147 1.00 0.00 N ATOM 291 CA VAL A 20 -5.685 6.590 1.849 1.00 0.00 C ATOM 292 C VAL A 20 -5.339 8.026 1.442 1.00 0.00 C ATOM 293 O VAL A 20 -5.232 8.341 0.258 1.00 0.00 O ATOM 294 CB VAL A 20 -4.506 5.651 1.542 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.158 5.705 0.050 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.286 6.066 2.369 1.00 0.00 C ATOM 0 H VAL A 20 -6.744 5.305 0.568 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.881 6.574 2.921 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.792 4.632 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.322 5.036 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.022 5.394 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.882 6.724 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.453 5.398 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.007 7.089 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.528 6.006 3.430 1.00 0.00 H new ATOM 306 N SER A 21 -5.170 8.887 2.442 1.00 0.00 N ATOM 307 CA SER A 21 -4.843 10.288 2.183 1.00 0.00 C ATOM 308 C SER A 21 -3.327 10.496 2.183 1.00 0.00 C ATOM 309 O SER A 21 -2.804 11.392 2.850 1.00 0.00 O ATOM 310 CB SER A 21 -5.480 11.185 3.246 1.00 0.00 C ATOM 311 OG SER A 21 -5.250 10.625 4.532 1.00 0.00 O ATOM 0 H SER A 21 -5.253 8.644 3.429 1.00 0.00 H new ATOM 0 HA SER A 21 -5.237 10.554 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.057 12.188 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.551 11.280 3.064 1.00 0.00 H new ATOM 0 HG SER A 21 -5.655 11.198 5.216 1.00 0.00 H new ATOM 317 N GLU A 22 -2.627 9.659 1.422 1.00 0.00 N ATOM 318 CA GLU A 22 -1.170 9.757 1.334 1.00 0.00 C ATOM 319 C GLU A 22 -0.530 9.592 2.710 1.00 0.00 C ATOM 320 O GLU A 22 0.533 10.149 2.986 1.00 0.00 O ATOM 321 CB GLU A 22 -0.762 11.112 0.755 1.00 0.00 C ATOM 322 CG GLU A 22 -1.345 11.263 -0.652 1.00 0.00 C ATOM 323 CD GLU A 22 -0.981 12.633 -1.211 1.00 0.00 C ATOM 324 OE1 GLU A 22 0.200 12.889 -1.375 1.00 0.00 O ATOM 325 OE2 GLU A 22 -1.889 13.408 -1.466 1.00 0.00 O ATOM 0 H GLU A 22 -3.038 8.912 0.862 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.822 8.958 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.121 11.917 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.324 11.192 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.958 10.479 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.428 11.147 -0.622 1.00 0.00 H new ATOM 332 N GLU A 23 -1.188 8.819 3.571 1.00 0.00 N ATOM 333 CA GLU A 23 -0.671 8.586 4.917 1.00 0.00 C ATOM 334 C GLU A 23 0.444 7.546 4.882 1.00 0.00 C ATOM 335 O GLU A 23 1.585 7.824 5.249 1.00 0.00 O ATOM 336 CB GLU A 23 -1.784 8.093 5.843 1.00 0.00 C ATOM 337 CG GLU A 23 -1.502 8.557 7.274 1.00 0.00 C ATOM 338 CD GLU A 23 -2.584 8.022 8.206 1.00 0.00 C ATOM 339 OE1 GLU A 23 -3.750 8.195 7.888 1.00 0.00 O ATOM 340 OE2 GLU A 23 -2.232 7.448 9.223 1.00 0.00 O ATOM 0 H GLU A 23 -2.069 8.349 3.365 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.279 9.530 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.747 8.478 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.846 7.005 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.523 8.203 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.477 9.646 7.316 1.00 0.00 H new ATOM 347 N SER A 24 0.097 6.345 4.434 1.00 0.00 N ATOM 348 CA SER A 24 1.074 5.263 4.351 1.00 0.00 C ATOM 349 C SER A 24 2.072 5.535 3.230 1.00 0.00 C ATOM 350 O SER A 24 3.248 5.188 3.329 1.00 0.00 O ATOM 351 CB SER A 24 0.375 3.931 4.081 1.00 0.00 C ATOM 352 OG SER A 24 -0.816 3.860 4.853 1.00 0.00 O ATOM 0 H SER A 24 -0.843 6.096 4.125 1.00 0.00 H new ATOM 0 HA SER A 24 1.600 5.210 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.141 3.839 3.021 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.036 3.102 4.335 1.00 0.00 H new ATOM 0 HG SER A 24 -1.565 3.604 4.276 1.00 0.00 H new ATOM 358 N LEU A 25 1.587 6.162 2.162 1.00 0.00 N ATOM 359 CA LEU A 25 2.442 6.480 1.021 1.00 0.00 C ATOM 360 C LEU A 25 3.577 7.407 1.445 1.00 0.00 C ATOM 361 O LEU A 25 4.712 7.273 0.989 1.00 0.00 O ATOM 362 CB LEU A 25 1.632 7.159 -0.083 1.00 0.00 C ATOM 363 CG LEU A 25 0.827 6.217 -0.982 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.288 6.999 -1.679 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.754 5.603 -2.034 1.00 0.00 C ATOM 0 H LEU A 25 0.616 6.458 2.062 1.00 0.00 H new ATOM 0 HA LEU A 25 2.858 5.546 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.945 7.869 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.314 7.736 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 25 0.387 5.425 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.859 6.326 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.948 7.436 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.148 7.792 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.183 4.932 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.194 6.396 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.547 5.043 -1.538 1.00 0.00 H new ATOM 377 N ASN A 26 3.256 8.350 2.328 1.00 0.00 N ATOM 378 CA ASN A 26 4.256 9.297 2.813 1.00 0.00 C ATOM 379 C ASN A 26 5.366 8.561 3.556 1.00 0.00 C ATOM 380 O ASN A 26 6.532 8.950 3.506 1.00 0.00 O ATOM 381 CB ASN A 26 3.617 10.318 3.756 1.00 0.00 C ATOM 382 CG ASN A 26 3.098 11.502 2.947 1.00 0.00 C ATOM 383 OD1 ASN A 26 2.492 11.323 1.892 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.304 12.716 3.383 1.00 0.00 N ATOM 0 H ASN A 26 2.322 8.478 2.718 1.00 0.00 H new ATOM 0 HA ASN A 26 4.675 9.815 1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.800 9.856 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.347 10.658 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.962 13.515 2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.807 12.865 4.258 1.00 0.00 H new ATOM 391 N LYS A 27 4.988 7.488 4.243 1.00 0.00 N ATOM 392 CA LYS A 27 5.956 6.694 4.994 1.00 0.00 C ATOM 393 C LYS A 27 6.945 6.019 4.047 1.00 0.00 C ATOM 394 O LYS A 27 8.100 5.784 4.398 1.00 0.00 O ATOM 395 CB LYS A 27 5.245 5.621 5.821 1.00 0.00 C ATOM 396 CG LYS A 27 4.848 6.202 7.181 1.00 0.00 C ATOM 397 CD LYS A 27 4.394 5.072 8.109 1.00 0.00 C ATOM 398 CE LYS A 27 2.875 4.919 8.020 1.00 0.00 C ATOM 399 NZ LYS A 27 2.324 4.258 9.238 1.00 0.00 N ATOM 0 H LYS A 27 4.027 7.150 4.296 1.00 0.00 H new ATOM 0 HA LYS A 27 6.495 7.367 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.360 5.267 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.899 4.760 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.692 6.731 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.045 6.929 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.881 4.138 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.689 5.289 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.415 5.900 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.618 4.333 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.292 4.169 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.746 3.313 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.550 4.831 10.076 1.00 0.00 H new ATOM 413 N VAL A 28 6.477 5.712 2.839 1.00 0.00 N ATOM 414 CA VAL A 28 7.329 5.062 1.843 1.00 0.00 C ATOM 415 C VAL A 28 8.532 5.942 1.510 1.00 0.00 C ATOM 416 O VAL A 28 9.607 5.445 1.174 1.00 0.00 O ATOM 417 CB VAL A 28 6.542 4.787 0.558 1.00 0.00 C ATOM 418 CG1 VAL A 28 7.388 3.930 -0.388 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.249 4.041 0.895 1.00 0.00 C ATOM 0 H VAL A 28 5.524 5.900 2.528 1.00 0.00 H new ATOM 0 HA VAL A 28 7.675 4.118 2.265 1.00 0.00 H new ATOM 0 HB VAL A 28 6.300 5.734 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.827 3.735 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.309 4.459 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.631 2.985 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.692 3.847 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.490 3.095 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.643 4.649 1.567 1.00 0.00 H new ATOM 429 N ARG A 29 8.339 7.257 1.606 1.00 0.00 N ATOM 430 CA ARG A 29 9.416 8.203 1.309 1.00 0.00 C ATOM 431 C ARG A 29 10.633 7.932 2.193 1.00 0.00 C ATOM 432 O ARG A 29 11.775 8.148 1.786 1.00 0.00 O ATOM 433 CB ARG A 29 8.945 9.640 1.544 1.00 0.00 C ATOM 434 CG ARG A 29 7.942 10.034 0.456 1.00 0.00 C ATOM 435 CD ARG A 29 8.677 10.740 -0.685 1.00 0.00 C ATOM 436 NE ARG A 29 8.989 12.120 -0.321 1.00 0.00 N ATOM 437 CZ ARG A 29 10.110 12.701 -0.738 1.00 0.00 C ATOM 438 NH1 ARG A 29 11.265 12.153 -0.479 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.054 13.821 -1.406 1.00 0.00 N ATOM 0 H ARG A 29 7.458 7.689 1.884 1.00 0.00 H new ATOM 0 HA ARG A 29 9.693 8.074 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.483 9.726 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.797 10.320 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.431 9.148 0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.178 10.691 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.596 10.203 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.062 10.726 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 29 8.337 12.646 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.309 11.278 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.124 12.599 -0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.151 14.250 -1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.913 14.267 -1.726 1.00 0.00 H new ATOM 453 N ASN A 30 10.373 7.451 3.406 1.00 0.00 N ATOM 454 CA ASN A 30 11.451 7.148 4.342 1.00 0.00 C ATOM 455 C ASN A 30 11.851 5.679 4.231 1.00 0.00 C ATOM 456 O ASN A 30 11.030 4.781 4.413 1.00 0.00 O ATOM 457 CB ASN A 30 11.011 7.437 5.778 1.00 0.00 C ATOM 458 CG ASN A 30 10.698 8.922 5.925 1.00 0.00 C ATOM 459 OD1 ASN A 30 9.546 9.336 5.789 1.00 0.00 O ATOM 460 ND2 ASN A 30 11.663 9.757 6.198 1.00 0.00 N ATOM 0 H ASN A 30 9.435 7.264 3.761 1.00 0.00 H new ATOM 0 HA ASN A 30 12.304 7.779 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.132 6.843 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.798 7.150 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.463 10.752 6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.617 9.414 6.311 1.00 0.00 H new ATOM 467 N ARG A 31 13.125 5.448 3.927 1.00 0.00 N ATOM 468 CA ARG A 31 13.628 4.085 3.791 1.00 0.00 C ATOM 469 C ARG A 31 13.789 3.436 5.162 1.00 0.00 C ATOM 470 O ARG A 31 14.885 3.394 5.723 1.00 0.00 O ATOM 471 CB ARG A 31 14.980 4.083 3.074 1.00 0.00 C ATOM 472 CG ARG A 31 15.123 2.798 2.255 1.00 0.00 C ATOM 473 CD ARG A 31 16.574 2.641 1.796 1.00 0.00 C ATOM 474 NE ARG A 31 17.387 2.048 2.854 1.00 0.00 N ATOM 475 CZ ARG A 31 18.094 2.809 3.683 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.259 3.267 3.315 1.00 0.00 N ATOM 477 NH2 ARG A 31 17.623 3.099 4.865 1.00 0.00 N ATOM 0 H ARG A 31 13.821 6.178 3.772 1.00 0.00 H new ATOM 0 HA ARG A 31 12.906 3.517 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.059 4.953 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.789 4.155 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.825 1.938 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.459 2.830 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.613 2.014 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.981 3.614 1.519 1.00 0.00 H new ATOM 0 HE ARG A 31 17.413 1.034 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.627 3.041 2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.802 3.851 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.712 2.742 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.166 3.683 5.501 1.00 0.00 H new ATOM 491 N GLU A 32 12.682 2.929 5.696 1.00 0.00 N ATOM 492 CA GLU A 32 12.707 2.281 7.004 1.00 0.00 C ATOM 493 C GLU A 32 11.815 1.042 7.005 1.00 0.00 C ATOM 494 O GLU A 32 12.302 -0.090 6.987 1.00 0.00 O ATOM 495 CB GLU A 32 12.230 3.247 8.092 1.00 0.00 C ATOM 496 CG GLU A 32 13.383 4.164 8.503 1.00 0.00 C ATOM 497 CD GLU A 32 14.128 3.548 9.682 1.00 0.00 C ATOM 498 OE1 GLU A 32 13.624 3.640 10.790 1.00 0.00 O ATOM 499 OE2 GLU A 32 15.192 2.993 9.460 1.00 0.00 O ATOM 0 H GLU A 32 11.765 2.953 5.249 1.00 0.00 H new ATOM 0 HA GLU A 32 13.735 1.985 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.393 3.840 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.870 2.689 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.064 4.308 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.000 5.148 8.775 1.00 0.00 H new ATOM 506 N GLU A 33 10.502 1.266 7.024 1.00 0.00 N ATOM 507 CA GLU A 33 9.549 0.158 7.027 1.00 0.00 C ATOM 508 C GLU A 33 8.117 0.685 7.012 1.00 0.00 C ATOM 509 O GLU A 33 7.808 1.705 7.627 1.00 0.00 O ATOM 510 CB GLU A 33 9.743 -0.715 8.269 1.00 0.00 C ATOM 511 CG GLU A 33 9.167 -2.109 8.009 1.00 0.00 C ATOM 512 CD GLU A 33 9.891 -3.128 8.880 1.00 0.00 C ATOM 513 OE1 GLU A 33 10.997 -3.504 8.525 1.00 0.00 O ATOM 514 OE2 GLU A 33 9.330 -3.521 9.891 1.00 0.00 O ATOM 0 H GLU A 33 10.078 2.193 7.037 1.00 0.00 H new ATOM 0 HA GLU A 33 9.728 -0.438 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.803 -0.788 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.248 -0.260 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.099 -2.120 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.278 -2.370 6.957 1.00 0.00 H new ATOM 521 N VAL A 34 7.244 -0.028 6.302 1.00 0.00 N ATOM 522 CA VAL A 34 5.842 0.371 6.212 1.00 0.00 C ATOM 523 C VAL A 34 5.053 -0.649 5.388 1.00 0.00 C ATOM 524 O VAL A 34 5.488 -1.076 4.318 1.00 0.00 O ATOM 525 CB VAL A 34 5.721 1.766 5.576 1.00 0.00 C ATOM 526 CG1 VAL A 34 6.282 1.746 4.151 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.248 2.197 5.540 1.00 0.00 C ATOM 0 H VAL A 34 7.480 -0.876 5.786 1.00 0.00 H new ATOM 0 HA VAL A 34 5.428 0.408 7.220 1.00 0.00 H new ATOM 0 HB VAL A 34 6.292 2.475 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.191 2.739 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.332 1.455 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.722 1.030 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.169 3.186 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.674 1.482 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.853 2.229 6.556 1.00 0.00 H new ATOM 537 N ASP A 35 3.888 -1.030 5.902 1.00 0.00 N ATOM 538 CA ASP A 35 3.039 -1.998 5.212 1.00 0.00 C ATOM 539 C ASP A 35 1.571 -1.743 5.541 1.00 0.00 C ATOM 540 O ASP A 35 0.979 -2.420 6.382 1.00 0.00 O ATOM 541 CB ASP A 35 3.407 -3.425 5.625 1.00 0.00 C ATOM 542 CG ASP A 35 3.366 -3.543 7.145 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.284 -3.055 7.782 1.00 0.00 O ATOM 544 OD2 ASP A 35 2.417 -4.121 7.649 1.00 0.00 O ATOM 0 H ASP A 35 3.512 -0.688 6.786 1.00 0.00 H new ATOM 0 HA ASP A 35 3.196 -1.883 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.713 -4.135 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.402 -3.676 5.257 1.00 0.00 H new ATOM 549 N ASP A 36 0.991 -0.752 4.869 1.00 0.00 N ATOM 550 CA ASP A 36 -0.410 -0.408 5.098 1.00 0.00 C ATOM 551 C ASP A 36 -1.299 -1.022 4.011 1.00 0.00 C ATOM 552 O ASP A 36 -0.886 -1.138 2.857 1.00 0.00 O ATOM 553 CB ASP A 36 -0.596 1.110 5.096 1.00 0.00 C ATOM 554 CG ASP A 36 0.203 1.722 6.241 1.00 0.00 C ATOM 555 OD1 ASP A 36 1.399 1.490 6.294 1.00 0.00 O ATOM 556 OD2 ASP A 36 -0.394 2.412 7.051 1.00 0.00 O ATOM 0 H ASP A 36 1.462 -0.179 4.169 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.699 -0.808 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.265 1.526 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.652 1.358 5.202 1.00 0.00 H new ATOM 561 N PRO A 37 -2.528 -1.425 4.367 1.00 0.00 N ATOM 562 CA PRO A 37 -3.466 -2.028 3.408 1.00 0.00 C ATOM 563 C PRO A 37 -4.026 -1.011 2.416 1.00 0.00 C ATOM 564 O PRO A 37 -4.027 -1.237 1.206 1.00 0.00 O ATOM 565 CB PRO A 37 -4.585 -2.583 4.287 1.00 0.00 C ATOM 566 CG PRO A 37 -4.545 -1.763 5.528 1.00 0.00 C ATOM 567 CD PRO A 37 -3.119 -1.333 5.715 1.00 0.00 C ATOM 0 HA PRO A 37 -2.976 -2.784 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.553 -2.502 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.427 -3.639 4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.202 -0.898 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.891 -2.341 6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.058 -0.318 6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.599 -1.979 6.422 1.00 0.00 H new ATOM 575 N LYS A 38 -4.509 0.112 2.946 1.00 0.00 N ATOM 576 CA LYS A 38 -5.080 1.169 2.107 1.00 0.00 C ATOM 577 C LYS A 38 -4.087 1.605 1.030 1.00 0.00 C ATOM 578 O LYS A 38 -4.474 1.999 -0.071 1.00 0.00 O ATOM 579 CB LYS A 38 -5.457 2.387 2.959 1.00 0.00 C ATOM 580 CG LYS A 38 -6.296 1.935 4.159 1.00 0.00 C ATOM 581 CD LYS A 38 -7.350 2.997 4.481 1.00 0.00 C ATOM 582 CE LYS A 38 -7.596 3.033 5.990 1.00 0.00 C ATOM 583 NZ LYS A 38 -6.623 3.927 6.679 1.00 0.00 N ATOM 0 H LYS A 38 -4.517 0.314 3.946 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.973 0.766 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.556 2.896 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.018 3.103 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.780 0.984 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.653 1.773 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.015 3.974 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.279 2.773 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.611 3.378 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.517 2.025 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.817 3.929 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.656 3.583 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.716 4.894 6.307 1.00 0.00 H new ATOM 597 N LEU A 39 -2.801 1.526 1.360 1.00 0.00 N ATOM 598 CA LEU A 39 -1.757 1.909 0.416 1.00 0.00 C ATOM 599 C LEU A 39 -1.761 0.973 -0.790 1.00 0.00 C ATOM 600 O LEU A 39 -1.883 1.409 -1.935 1.00 0.00 O ATOM 601 CB LEU A 39 -0.384 1.859 1.093 1.00 0.00 C ATOM 602 CG LEU A 39 0.565 3.000 0.727 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.900 2.810 1.450 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.801 2.999 -0.785 1.00 0.00 C ATOM 0 H LEU A 39 -2.459 1.203 2.265 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.957 2.927 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.529 1.861 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.095 0.914 0.838 1.00 0.00 H new ATOM 0 HG LEU A 39 0.123 3.950 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.575 3.625 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.734 2.809 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.344 1.860 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.478 3.812 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.243 2.048 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.149 3.136 -1.302 1.00 0.00 H new ATOM 616 N LYS A 40 -1.624 -0.321 -0.518 1.00 0.00 N ATOM 617 CA LYS A 40 -1.611 -1.318 -1.586 1.00 0.00 C ATOM 618 C LYS A 40 -2.941 -1.317 -2.332 1.00 0.00 C ATOM 619 O LYS A 40 -2.986 -1.437 -3.557 1.00 0.00 O ATOM 620 CB LYS A 40 -1.362 -2.716 -1.013 1.00 0.00 C ATOM 621 CG LYS A 40 -0.106 -2.698 -0.135 1.00 0.00 C ATOM 622 CD LYS A 40 0.282 -4.133 0.232 1.00 0.00 C ATOM 623 CE LYS A 40 -0.557 -4.603 1.423 1.00 0.00 C ATOM 624 NZ LYS A 40 -0.833 -6.066 1.350 1.00 0.00 N ATOM 0 H LYS A 40 -1.521 -0.702 0.422 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.807 -1.061 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.223 -3.038 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.241 -3.435 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.714 -2.213 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.290 -2.117 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.123 -4.793 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.342 -4.182 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.033 -4.376 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.499 -4.054 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.403 -6.353 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.354 -6.278 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.066 -6.589 1.353 1.00 0.00 H new ATOM 638 N GLU A 41 -4.027 -1.184 -1.575 1.00 0.00 N ATOM 639 CA GLU A 41 -5.364 -1.172 -2.165 1.00 0.00 C ATOM 640 C GLU A 41 -5.533 0.024 -3.097 1.00 0.00 C ATOM 641 O GLU A 41 -5.970 -0.116 -4.239 1.00 0.00 O ATOM 642 CB GLU A 41 -6.428 -1.092 -1.069 1.00 0.00 C ATOM 643 CG GLU A 41 -6.605 -2.467 -0.424 1.00 0.00 C ATOM 644 CD GLU A 41 -7.506 -3.328 -1.302 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.472 -2.797 -1.825 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.217 -4.506 -1.438 1.00 0.00 O ATOM 0 H GLU A 41 -4.009 -1.084 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.485 -2.095 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.134 -0.361 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.374 -0.753 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.635 -2.948 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.041 -2.361 0.569 1.00 0.00 H new ATOM 653 N HIS A 42 -5.190 1.205 -2.587 1.00 0.00 N ATOM 654 CA HIS A 42 -5.312 2.437 -3.368 1.00 0.00 C ATOM 655 C HIS A 42 -4.570 2.329 -4.699 1.00 0.00 C ATOM 656 O HIS A 42 -5.126 2.616 -5.759 1.00 0.00 O ATOM 657 CB HIS A 42 -4.742 3.620 -2.581 1.00 0.00 C ATOM 658 CG HIS A 42 -5.137 4.909 -3.249 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.335 6.039 -3.204 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.246 5.263 -3.977 1.00 0.00 C ATOM 661 CE1 HIS A 42 -4.967 7.010 -3.888 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.136 6.591 -4.380 1.00 0.00 N ATOM 0 H HIS A 42 -4.828 1.336 -1.643 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.372 2.594 -3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.114 3.601 -1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.656 3.545 -2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.077 4.611 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.576 8.008 -4.023 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.804 7.128 -4.932 1.00 0.00 H new ATOM 670 N ALA A 43 -3.306 1.918 -4.631 1.00 0.00 N ATOM 671 CA ALA A 43 -2.480 1.784 -5.834 1.00 0.00 C ATOM 672 C ALA A 43 -3.157 0.909 -6.890 1.00 0.00 C ATOM 673 O ALA A 43 -3.133 1.222 -8.081 1.00 0.00 O ATOM 674 CB ALA A 43 -1.122 1.172 -5.482 1.00 0.00 C ATOM 0 H ALA A 43 -2.831 1.673 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.345 2.785 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.520 1.079 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.607 1.815 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.270 0.186 -5.042 1.00 0.00 H new ATOM 680 N PHE A 44 -3.752 -0.196 -6.446 1.00 0.00 N ATOM 681 CA PHE A 44 -4.420 -1.112 -7.371 1.00 0.00 C ATOM 682 C PHE A 44 -5.528 -0.395 -8.144 1.00 0.00 C ATOM 683 O PHE A 44 -5.792 -0.707 -9.305 1.00 0.00 O ATOM 684 CB PHE A 44 -5.018 -2.304 -6.615 1.00 0.00 C ATOM 685 CG PHE A 44 -5.558 -3.321 -7.600 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.755 -3.772 -8.658 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.859 -3.815 -7.452 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.256 -4.714 -9.565 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.359 -4.756 -8.359 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.558 -5.207 -9.416 1.00 0.00 C ATOM 0 H PHE A 44 -3.786 -0.477 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.671 -1.473 -8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.258 -2.764 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.816 -1.964 -5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.750 -3.393 -8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.478 -3.470 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.638 -5.060 -10.380 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.364 -5.135 -8.244 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.944 -5.934 -10.115 1.00 0.00 H new ATOM 700 N CYS A 45 -6.172 0.565 -7.489 1.00 0.00 N ATOM 701 CA CYS A 45 -7.249 1.315 -8.132 1.00 0.00 C ATOM 702 C CYS A 45 -6.703 2.151 -9.286 1.00 0.00 C ATOM 703 O CYS A 45 -7.341 2.286 -10.331 1.00 0.00 O ATOM 704 CB CYS A 45 -7.935 2.240 -7.124 1.00 0.00 C ATOM 705 SG CYS A 45 -8.828 1.246 -5.904 1.00 0.00 S ATOM 0 H CYS A 45 -5.973 0.841 -6.527 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.974 0.598 -8.516 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.195 2.867 -6.627 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.625 2.909 -7.639 1.00 0.00 H new ATOM 710 N ILE A 46 -5.512 2.709 -9.087 1.00 0.00 N ATOM 711 CA ILE A 46 -4.880 3.530 -10.118 1.00 0.00 C ATOM 712 C ILE A 46 -4.124 2.629 -11.104 1.00 0.00 C ATOM 713 O ILE A 46 -3.970 2.969 -12.277 1.00 0.00 O ATOM 714 CB ILE A 46 -3.926 4.566 -9.474 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.752 5.657 -8.782 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.039 5.236 -10.535 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.484 5.074 -7.574 1.00 0.00 C ATOM 0 H ILE A 46 -4.968 2.610 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.650 4.076 -10.663 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.294 4.042 -8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.100 6.471 -8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.471 6.080 -9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.379 5.959 -10.054 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.440 4.478 -11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.667 5.747 -11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.068 5.857 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.150 4.276 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.758 4.673 -6.867 1.00 0.00 H new ATOM 729 N LEU A 47 -3.660 1.478 -10.619 1.00 0.00 N ATOM 730 CA LEU A 47 -2.932 0.541 -11.474 1.00 0.00 C ATOM 731 C LEU A 47 -3.829 0.080 -12.624 1.00 0.00 C ATOM 732 O LEU A 47 -3.441 0.127 -13.793 1.00 0.00 O ATOM 733 CB LEU A 47 -2.471 -0.677 -10.660 1.00 0.00 C ATOM 734 CG LEU A 47 -0.959 -0.799 -10.458 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.283 -1.044 -11.808 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.421 0.493 -9.844 1.00 0.00 C ATOM 0 H LEU A 47 -3.773 1.174 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.056 1.048 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.949 -0.640 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.828 -1.580 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.747 -1.633 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.794 -1.131 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.667 -1.966 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.494 -0.210 -12.477 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.656 0.406 -9.700 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.632 1.328 -10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.903 0.667 -8.882 1.00 0.00 H new ATOM 748 N LYS A 48 -5.031 -0.364 -12.271 1.00 0.00 N ATOM 749 CA LYS A 48 -5.986 -0.832 -13.271 1.00 0.00 C ATOM 750 C LYS A 48 -6.510 0.341 -14.095 1.00 0.00 C ATOM 751 O LYS A 48 -6.836 0.191 -15.273 1.00 0.00 O ATOM 752 CB LYS A 48 -7.168 -1.534 -12.593 1.00 0.00 C ATOM 753 CG LYS A 48 -8.029 -2.246 -13.648 1.00 0.00 C ATOM 754 CD LYS A 48 -9.505 -1.896 -13.438 1.00 0.00 C ATOM 755 CE LYS A 48 -9.976 -2.452 -12.092 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.458 -2.364 -11.956 1.00 0.00 N ATOM 0 H LYS A 48 -5.366 -0.410 -11.309 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.473 -1.536 -13.926 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.803 -2.255 -11.862 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.771 -0.807 -12.050 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.714 -1.948 -14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.888 -3.325 -13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.640 -0.815 -13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.107 -2.312 -14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.661 -3.491 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.501 -1.899 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.745 -2.749 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.754 -1.369 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.909 -2.912 -12.716 1.00 0.00 H new ATOM 770 N ARG A 49 -6.593 1.510 -13.463 1.00 0.00 N ATOM 771 CA ARG A 49 -7.084 2.702 -14.152 1.00 0.00 C ATOM 772 C ARG A 49 -6.051 3.211 -15.154 1.00 0.00 C ATOM 773 O ARG A 49 -6.377 3.514 -16.301 1.00 0.00 O ATOM 774 CB ARG A 49 -7.390 3.811 -13.144 1.00 0.00 C ATOM 775 CG ARG A 49 -8.841 3.686 -12.668 1.00 0.00 C ATOM 776 CD ARG A 49 -9.427 5.080 -12.438 1.00 0.00 C ATOM 777 NE ARG A 49 -8.565 5.865 -11.558 1.00 0.00 N ATOM 778 CZ ARG A 49 -8.128 7.068 -11.920 1.00 0.00 C ATOM 779 NH1 ARG A 49 -8.919 7.881 -12.565 1.00 0.00 N ATOM 780 NH2 ARG A 49 -6.910 7.433 -11.630 1.00 0.00 N ATOM 0 H ARG A 49 -6.331 1.657 -12.488 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.996 2.429 -14.684 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.711 3.742 -12.294 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.230 4.787 -13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.433 3.149 -13.410 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.883 3.106 -11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.543 5.593 -13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.421 4.994 -11.999 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.294 5.485 -10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.871 7.594 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.585 8.804 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.293 6.796 -11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.574 8.355 -11.907 1.00 0.00 H new ATOM 794 N ALA A 50 -4.803 3.306 -14.704 1.00 0.00 N ATOM 795 CA ALA A 50 -3.722 3.787 -15.567 1.00 0.00 C ATOM 796 C ALA A 50 -3.587 2.913 -16.812 1.00 0.00 C ATOM 797 O ALA A 50 -3.179 3.382 -17.874 1.00 0.00 O ATOM 798 CB ALA A 50 -2.392 3.779 -14.811 1.00 0.00 C ATOM 0 H ALA A 50 -4.514 3.060 -13.757 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.969 4.805 -15.868 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.599 4.139 -15.466 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.465 4.429 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.163 2.763 -14.488 1.00 0.00 H new ATOM 804 N GLY A 51 -3.931 1.636 -16.670 1.00 0.00 N ATOM 805 CA GLY A 51 -3.846 0.706 -17.787 1.00 0.00 C ATOM 806 C GLY A 51 -2.608 -0.179 -17.668 1.00 0.00 C ATOM 807 O GLY A 51 -2.047 -0.624 -18.669 1.00 0.00 O ATOM 0 H GLY A 51 -4.268 1.226 -15.799 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.741 0.084 -17.816 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.812 1.260 -18.725 1.00 0.00 H new ATOM 811 N PHE A 52 -2.191 -0.436 -16.431 1.00 0.00 N ATOM 812 CA PHE A 52 -1.021 -1.275 -16.190 1.00 0.00 C ATOM 813 C PHE A 52 -1.457 -2.712 -15.930 1.00 0.00 C ATOM 814 O PHE A 52 -0.794 -3.664 -16.345 1.00 0.00 O ATOM 815 CB PHE A 52 -0.235 -0.764 -14.982 1.00 0.00 C ATOM 816 CG PHE A 52 0.572 0.449 -15.381 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.478 0.367 -16.444 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.414 1.654 -14.686 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.226 1.491 -16.814 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.161 2.779 -15.056 1.00 0.00 C ATOM 821 CZ PHE A 52 2.067 2.697 -16.121 1.00 0.00 C ATOM 0 H PHE A 52 -2.641 -0.079 -15.588 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.384 -1.237 -17.074 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.918 -0.509 -14.172 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.425 -1.546 -14.607 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.600 -0.563 -16.979 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.284 1.716 -13.864 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.926 1.428 -17.634 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.039 3.709 -14.521 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.643 3.564 -16.408 1.00 0.00 H new ATOM 831 N ILE A 53 -2.584 -2.853 -15.241 1.00 0.00 N ATOM 832 CA ILE A 53 -3.119 -4.174 -14.927 1.00 0.00 C ATOM 833 C ILE A 53 -4.542 -4.301 -15.474 1.00 0.00 C ATOM 834 O ILE A 53 -5.319 -3.348 -15.444 1.00 0.00 O ATOM 835 CB ILE A 53 -3.110 -4.405 -13.407 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.592 -5.825 -13.097 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.025 -3.390 -12.712 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.909 -6.329 -11.825 1.00 0.00 C ATOM 0 H ILE A 53 -3.142 -2.075 -14.891 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.490 -4.931 -15.396 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.092 -4.277 -13.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.674 -5.833 -12.969 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.365 -6.488 -13.932 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.010 -3.564 -11.636 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.673 -2.380 -12.921 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.043 -3.504 -13.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.252 -7.340 -11.604 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.829 -6.336 -11.970 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.159 -5.671 -10.993 1.00 0.00 H new ATOM 850 N ASP A 54 -4.871 -5.487 -15.979 1.00 0.00 N ATOM 851 CA ASP A 54 -6.203 -5.714 -16.538 1.00 0.00 C ATOM 852 C ASP A 54 -7.161 -6.234 -15.470 1.00 0.00 C ATOM 853 O ASP A 54 -6.748 -6.641 -14.385 1.00 0.00 O ATOM 854 CB ASP A 54 -6.149 -6.722 -17.688 1.00 0.00 C ATOM 855 CG ASP A 54 -5.428 -7.984 -17.230 1.00 0.00 C ATOM 856 OD1 ASP A 54 -6.058 -8.798 -16.576 1.00 0.00 O ATOM 857 OD2 ASP A 54 -4.255 -8.115 -17.539 1.00 0.00 O ATOM 0 H ASP A 54 -4.247 -6.293 -16.014 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.564 -4.756 -16.913 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.159 -6.967 -18.017 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.632 -6.286 -18.543 1.00 0.00 H new ATOM 862 N ALA A 55 -8.451 -6.202 -15.798 1.00 0.00 N ATOM 863 CA ALA A 55 -9.490 -6.659 -14.872 1.00 0.00 C ATOM 864 C ALA A 55 -9.232 -8.089 -14.385 1.00 0.00 C ATOM 865 O ALA A 55 -9.742 -8.497 -13.343 1.00 0.00 O ATOM 866 CB ALA A 55 -10.863 -6.611 -15.546 1.00 0.00 C ATOM 0 H ALA A 55 -8.803 -5.866 -16.694 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.468 -5.988 -14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.624 -6.954 -14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.084 -5.588 -15.850 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.860 -7.258 -16.424 1.00 0.00 H new ATOM 872 N SER A 56 -8.448 -8.852 -15.150 1.00 0.00 N ATOM 873 CA SER A 56 -8.155 -10.237 -14.773 1.00 0.00 C ATOM 874 C SER A 56 -6.904 -10.336 -13.892 1.00 0.00 C ATOM 875 O SER A 56 -6.339 -11.417 -13.722 1.00 0.00 O ATOM 876 CB SER A 56 -7.944 -11.091 -16.022 1.00 0.00 C ATOM 877 OG SER A 56 -7.977 -12.466 -15.663 1.00 0.00 O ATOM 0 H SER A 56 -8.012 -8.542 -16.018 1.00 0.00 H new ATOM 0 HA SER A 56 -9.011 -10.602 -14.205 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.719 -10.877 -16.758 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.988 -10.847 -16.486 1.00 0.00 H new ATOM 0 HG SER A 56 -7.061 -12.809 -15.597 1.00 0.00 H new ATOM 883 N GLY A 57 -6.481 -9.208 -13.320 1.00 0.00 N ATOM 884 CA GLY A 57 -5.308 -9.199 -12.452 1.00 0.00 C ATOM 885 C GLY A 57 -4.051 -9.674 -13.183 1.00 0.00 C ATOM 886 O GLY A 57 -3.066 -10.053 -12.552 1.00 0.00 O ATOM 0 H GLY A 57 -6.929 -8.300 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.147 -8.191 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.490 -9.840 -11.590 1.00 0.00 H new ATOM 890 N GLU A 58 -4.083 -9.642 -14.515 1.00 0.00 N ATOM 891 CA GLU A 58 -2.923 -10.067 -15.295 1.00 0.00 C ATOM 892 C GLU A 58 -1.947 -8.900 -15.446 1.00 0.00 C ATOM 893 O GLU A 58 -2.265 -7.882 -16.062 1.00 0.00 O ATOM 894 CB GLU A 58 -3.356 -10.559 -16.684 1.00 0.00 C ATOM 895 CG GLU A 58 -3.275 -12.088 -16.743 1.00 0.00 C ATOM 896 CD GLU A 58 -4.352 -12.692 -15.847 1.00 0.00 C ATOM 897 OE1 GLU A 58 -5.519 -12.518 -16.158 1.00 0.00 O ATOM 898 OE2 GLU A 58 -3.994 -13.319 -14.864 1.00 0.00 O ATOM 0 H GLU A 58 -4.883 -9.333 -15.067 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.434 -10.888 -14.770 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.374 -10.231 -16.895 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.716 -10.122 -17.450 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.408 -12.430 -17.769 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.289 -12.423 -16.420 1.00 0.00 H new ATOM 905 N PHE A 59 -0.760 -9.055 -14.867 1.00 0.00 N ATOM 906 CA PHE A 59 0.253 -8.001 -14.933 1.00 0.00 C ATOM 907 C PHE A 59 0.763 -7.817 -16.360 1.00 0.00 C ATOM 908 O PHE A 59 0.838 -8.767 -17.138 1.00 0.00 O ATOM 909 CB PHE A 59 1.443 -8.327 -14.021 1.00 0.00 C ATOM 910 CG PHE A 59 1.933 -9.730 -14.296 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.633 -10.011 -15.475 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.686 -10.752 -13.370 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.088 -11.311 -15.728 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.140 -12.051 -13.622 1.00 0.00 C ATOM 915 CZ PHE A 59 2.842 -12.331 -14.800 1.00 0.00 C ATOM 0 H PHE A 59 -0.476 -9.889 -14.352 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.221 -7.079 -14.598 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.248 -7.612 -14.190 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.148 -8.234 -12.976 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.822 -9.224 -16.190 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.145 -10.537 -12.461 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.628 -11.527 -16.638 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.949 -12.838 -12.907 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.194 -13.334 -14.994 1.00 0.00 H new ATOM 925 N GLN A 60 1.121 -6.576 -16.684 1.00 0.00 N ATOM 926 CA GLN A 60 1.637 -6.254 -18.013 1.00 0.00 C ATOM 927 C GLN A 60 2.883 -5.381 -17.884 1.00 0.00 C ATOM 928 O GLN A 60 2.819 -4.157 -18.003 1.00 0.00 O ATOM 929 CB GLN A 60 0.583 -5.506 -18.832 1.00 0.00 C ATOM 930 CG GLN A 60 -0.267 -6.511 -19.612 1.00 0.00 C ATOM 931 CD GLN A 60 -1.402 -5.777 -20.316 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.191 -4.723 -20.915 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.607 -6.278 -20.281 1.00 0.00 N ATOM 0 H GLN A 60 1.064 -5.781 -16.048 1.00 0.00 H new ATOM 0 HA GLN A 60 1.887 -7.185 -18.521 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.051 -4.912 -18.173 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.067 -4.812 -19.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.349 -7.036 -20.342 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.671 -7.264 -18.936 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.782 -7.152 -19.784 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.374 -5.796 -20.750 1.00 0.00 H new ATOM 942 N LEU A 61 4.013 -6.028 -17.622 1.00 0.00 N ATOM 943 CA LEU A 61 5.274 -5.311 -17.456 1.00 0.00 C ATOM 944 C LEU A 61 5.764 -4.739 -18.781 1.00 0.00 C ATOM 945 O LEU A 61 6.375 -3.673 -18.818 1.00 0.00 O ATOM 946 CB LEU A 61 6.342 -6.244 -16.884 1.00 0.00 C ATOM 947 CG LEU A 61 5.885 -7.126 -15.718 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.088 -7.871 -15.139 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.257 -6.250 -14.629 1.00 0.00 C ATOM 0 H LEU A 61 4.083 -7.040 -17.520 1.00 0.00 H new ATOM 0 HA LEU A 61 5.097 -4.487 -16.765 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.705 -6.888 -17.685 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.187 -5.641 -16.552 1.00 0.00 H new ATOM 0 HG LEU A 61 5.149 -7.846 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.762 -8.498 -14.309 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.536 -8.495 -15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.825 -7.151 -14.782 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.932 -6.878 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.993 -5.530 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.399 -5.718 -15.040 1.00 0.00 H new ATOM 961 N ASP A 62 5.491 -5.455 -19.869 1.00 0.00 N ATOM 962 CA ASP A 62 5.915 -4.999 -21.197 1.00 0.00 C ATOM 963 C ASP A 62 5.392 -3.591 -21.480 1.00 0.00 C ATOM 964 O ASP A 62 6.012 -2.818 -22.209 1.00 0.00 O ATOM 965 CB ASP A 62 5.401 -5.948 -22.280 1.00 0.00 C ATOM 966 CG ASP A 62 6.155 -5.691 -23.581 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.237 -6.234 -23.732 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.639 -4.956 -24.406 1.00 0.00 O ATOM 0 H ASP A 62 4.986 -6.341 -19.863 1.00 0.00 H new ATOM 0 HA ASP A 62 7.005 -4.987 -21.210 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.538 -6.983 -21.966 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.332 -5.799 -22.431 1.00 0.00 H new ATOM 973 N HIS A 63 4.247 -3.264 -20.885 1.00 0.00 N ATOM 974 CA HIS A 63 3.654 -1.944 -21.072 1.00 0.00 C ATOM 975 C HIS A 63 4.260 -0.951 -20.081 1.00 0.00 C ATOM 976 O HIS A 63 4.401 0.236 -20.376 1.00 0.00 O ATOM 977 CB HIS A 63 2.138 -2.001 -20.861 1.00 0.00 C ATOM 978 CG HIS A 63 1.461 -2.315 -22.167 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.138 -1.977 -22.415 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.909 -2.935 -23.306 1.00 0.00 C ATOM 981 CE1 HIS A 63 -0.159 -2.392 -23.660 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.884 -2.983 -24.249 1.00 0.00 N ATOM 0 H HIS A 63 3.717 -3.888 -20.276 1.00 0.00 H new ATOM 0 HA HIS A 63 3.862 -1.618 -22.091 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.892 -2.761 -20.120 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.778 -1.048 -20.472 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.905 -3.327 -23.450 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.124 -2.263 -24.127 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.922 -3.383 -25.187 1.00 0.00 H new ATOM 990 N ILE A 64 4.617 -1.455 -18.901 1.00 0.00 N ATOM 991 CA ILE A 64 5.209 -0.613 -17.863 1.00 0.00 C ATOM 992 C ILE A 64 6.597 -0.134 -18.291 1.00 0.00 C ATOM 993 O ILE A 64 6.885 1.063 -18.286 1.00 0.00 O ATOM 994 CB ILE A 64 5.324 -1.398 -16.547 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.932 -1.874 -16.118 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.913 -0.511 -15.445 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.062 -2.992 -15.079 1.00 0.00 C ATOM 0 H ILE A 64 4.508 -2.435 -18.641 1.00 0.00 H new ATOM 0 HA ILE A 64 4.563 0.252 -17.714 1.00 0.00 H new ATOM 0 HB ILE A 64 5.981 -2.253 -16.704 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.366 -1.041 -15.701 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.378 -2.234 -16.985 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.988 -1.082 -14.520 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.905 -0.171 -15.743 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.266 0.352 -15.288 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.069 -3.326 -14.778 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.611 -3.829 -15.511 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.599 -2.618 -14.207 1.00 0.00 H new ATOM 1009 N LYS A 65 7.459 -1.084 -18.646 1.00 0.00 N ATOM 1010 CA LYS A 65 8.822 -0.753 -19.062 1.00 0.00 C ATOM 1011 C LYS A 65 8.819 0.230 -20.233 1.00 0.00 C ATOM 1012 O LYS A 65 9.604 1.177 -20.268 1.00 0.00 O ATOM 1013 CB LYS A 65 9.580 -2.021 -19.469 1.00 0.00 C ATOM 1014 CG LYS A 65 8.833 -2.731 -20.601 1.00 0.00 C ATOM 1015 CD LYS A 65 9.455 -4.111 -20.833 1.00 0.00 C ATOM 1016 CE LYS A 65 9.247 -4.987 -19.596 1.00 0.00 C ATOM 1017 NZ LYS A 65 9.034 -6.414 -19.968 1.00 0.00 N ATOM 0 H LYS A 65 7.242 -2.081 -18.655 1.00 0.00 H new ATOM 0 HA LYS A 65 9.321 -0.286 -18.213 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.589 -1.765 -19.792 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.679 -2.687 -18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.778 -2.833 -20.347 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.885 -2.138 -21.514 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.001 -4.583 -21.705 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.520 -4.010 -21.043 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.115 -4.906 -18.941 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.387 -4.624 -19.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.360 -7.027 -19.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.022 -6.581 -20.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.571 -6.632 -20.832 1.00 0.00 H new ATOM 1031 N THR A 66 7.930 -0.009 -21.192 1.00 0.00 N ATOM 1032 CA THR A 66 7.837 0.859 -22.365 1.00 0.00 C ATOM 1033 C THR A 66 7.502 2.291 -21.951 1.00 0.00 C ATOM 1034 O THR A 66 8.181 3.241 -22.342 1.00 0.00 O ATOM 1035 CB THR A 66 6.759 0.348 -23.325 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.003 -1.021 -23.614 1.00 0.00 O ATOM 1037 CG2 THR A 66 6.796 1.158 -24.621 1.00 0.00 C ATOM 0 H THR A 66 7.270 -0.787 -21.183 1.00 0.00 H new ATOM 0 HA THR A 66 8.804 0.848 -22.867 1.00 0.00 H new ATOM 0 HB THR A 66 5.778 0.457 -22.863 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.241 -1.559 -23.314 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.027 0.791 -25.301 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.612 2.209 -24.399 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.775 1.052 -25.088 1.00 0.00 H new ATOM 1045 N LYS A 67 6.445 2.434 -21.159 1.00 0.00 N ATOM 1046 CA LYS A 67 6.022 3.754 -20.701 1.00 0.00 C ATOM 1047 C LYS A 67 7.115 4.408 -19.861 1.00 0.00 C ATOM 1048 O LYS A 67 7.430 5.586 -20.034 1.00 0.00 O ATOM 1049 CB LYS A 67 4.747 3.642 -19.863 1.00 0.00 C ATOM 1050 CG LYS A 67 3.536 3.534 -20.792 1.00 0.00 C ATOM 1051 CD LYS A 67 2.299 4.101 -20.094 1.00 0.00 C ATOM 1052 CE LYS A 67 1.070 3.878 -20.978 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.389 2.594 -20.646 1.00 0.00 N ATOM 0 H LYS A 67 5.870 1.661 -20.823 1.00 0.00 H new ATOM 0 HA LYS A 67 5.829 4.369 -21.580 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.801 2.768 -19.214 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.646 4.513 -19.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.725 4.079 -21.717 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.366 2.492 -21.065 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.159 3.616 -19.128 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.433 5.165 -19.900 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.372 4.706 -20.850 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.369 3.873 -22.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.440 2.471 -21.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.049 1.803 -20.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.083 2.610 -19.652 1.00 0.00 H new ATOM 1067 N PHE A 68 7.691 3.634 -18.947 1.00 0.00 N ATOM 1068 CA PHE A 68 8.747 4.152 -18.083 1.00 0.00 C ATOM 1069 C PHE A 68 9.992 4.505 -18.897 1.00 0.00 C ATOM 1070 O PHE A 68 10.772 5.374 -18.512 1.00 0.00 O ATOM 1071 CB PHE A 68 9.125 3.119 -17.019 1.00 0.00 C ATOM 1072 CG PHE A 68 8.250 3.303 -15.803 1.00 0.00 C ATOM 1073 CD1 PHE A 68 6.866 3.121 -15.902 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.823 3.658 -14.575 1.00 0.00 C ATOM 1075 CE1 PHE A 68 6.054 3.292 -14.774 1.00 0.00 C ATOM 1076 CE2 PHE A 68 8.010 3.829 -13.447 1.00 0.00 C ATOM 1077 CZ PHE A 68 6.626 3.646 -13.547 1.00 0.00 C ATOM 0 H PHE A 68 7.448 2.656 -18.786 1.00 0.00 H new ATOM 0 HA PHE A 68 8.367 5.052 -17.600 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.005 2.111 -17.417 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.174 3.231 -16.745 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.424 2.848 -16.849 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.891 3.800 -14.498 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.986 3.151 -14.851 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.451 4.102 -12.500 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.000 3.778 -12.677 1.00 0.00 H new ATOM 1087 N LYS A 69 10.173 3.818 -20.024 1.00 0.00 N ATOM 1088 CA LYS A 69 11.333 4.069 -20.877 1.00 0.00 C ATOM 1089 C LYS A 69 11.192 5.405 -21.602 1.00 0.00 C ATOM 1090 O LYS A 69 11.907 6.362 -21.314 1.00 0.00 O ATOM 1091 CB LYS A 69 11.485 2.954 -21.916 1.00 0.00 C ATOM 1092 CG LYS A 69 12.379 1.848 -21.354 1.00 0.00 C ATOM 1093 CD LYS A 69 13.036 1.086 -22.505 1.00 0.00 C ATOM 1094 CE LYS A 69 14.401 0.566 -22.054 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.478 1.556 -22.338 1.00 0.00 N ATOM 0 H LYS A 69 9.541 3.093 -20.364 1.00 0.00 H new ATOM 0 HA LYS A 69 12.216 4.097 -20.238 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.507 2.549 -22.175 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.917 3.354 -22.833 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.143 2.278 -20.706 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.789 1.165 -20.742 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.402 0.255 -22.815 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.151 1.739 -23.370 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.375 0.350 -20.986 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.622 -0.372 -22.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.392 1.175 -22.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.517 1.743 -23.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.278 2.442 -21.831 1.00 0.00 H new ATOM 1109 N GLU A 70 10.261 5.456 -22.553 1.00 0.00 N ATOM 1110 CA GLU A 70 10.029 6.680 -23.327 1.00 0.00 C ATOM 1111 C GLU A 70 9.788 7.879 -22.408 1.00 0.00 C ATOM 1112 O GLU A 70 8.817 7.916 -21.654 1.00 0.00 O ATOM 1113 CB GLU A 70 8.819 6.513 -24.252 1.00 0.00 C ATOM 1114 CG GLU A 70 7.628 5.950 -23.462 1.00 0.00 C ATOM 1115 CD GLU A 70 6.358 6.712 -23.832 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.077 7.705 -23.181 1.00 0.00 O ATOM 1117 OE2 GLU A 70 5.687 6.291 -24.760 1.00 0.00 O ATOM 0 H GLU A 70 9.659 4.673 -22.807 1.00 0.00 H new ATOM 0 HA GLU A 70 10.924 6.861 -23.922 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.552 7.474 -24.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.069 5.843 -25.075 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.504 4.889 -23.680 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.816 6.036 -22.392 1.00 0.00 H new ATOM 1210 N LYS A 77 17.481 1.735 -16.587 1.00 0.00 N ATOM 1211 CA LYS A 77 17.427 0.866 -15.414 1.00 0.00 C ATOM 1212 C LYS A 77 16.011 0.328 -15.183 1.00 0.00 C ATOM 1213 O LYS A 77 15.822 -0.644 -14.451 1.00 0.00 O ATOM 1214 CB LYS A 77 17.878 1.630 -14.166 1.00 0.00 C ATOM 1215 CG LYS A 77 19.395 1.828 -14.209 1.00 0.00 C ATOM 1216 CD LYS A 77 19.825 2.753 -13.068 1.00 0.00 C ATOM 1217 CE LYS A 77 21.024 3.593 -13.514 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.312 2.900 -13.224 1.00 0.00 N ATOM 0 HA LYS A 77 18.097 0.026 -15.598 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.376 2.596 -14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.598 1.079 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.900 0.866 -14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.689 2.256 -15.168 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.998 3.403 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.087 2.165 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.951 3.796 -14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.005 4.556 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.105 3.495 -13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.392 2.729 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.339 1.992 -13.730 1.00 0.00 H new ATOM 1232 N VAL A 78 15.017 0.967 -15.802 1.00 0.00 N ATOM 1233 CA VAL A 78 13.627 0.537 -15.638 1.00 0.00 C ATOM 1234 C VAL A 78 13.445 -0.917 -16.078 1.00 0.00 C ATOM 1235 O VAL A 78 12.904 -1.737 -15.339 1.00 0.00 O ATOM 1236 CB VAL A 78 12.690 1.425 -16.463 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.231 1.073 -16.150 1.00 0.00 C ATOM 1238 CG2 VAL A 78 12.942 2.896 -16.120 1.00 0.00 C ATOM 0 H VAL A 78 15.145 1.773 -16.414 1.00 0.00 H new ATOM 0 HA VAL A 78 13.380 0.624 -14.580 1.00 0.00 H new ATOM 0 HB VAL A 78 12.882 1.259 -17.523 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.569 1.708 -16.739 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.048 0.028 -16.398 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.038 1.233 -15.089 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.275 3.526 -16.708 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.754 3.059 -15.059 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.977 3.151 -16.349 1.00 0.00 H new ATOM 1248 N ASP A 79 13.894 -1.227 -17.294 1.00 0.00 N ATOM 1249 CA ASP A 79 13.764 -2.589 -17.831 1.00 0.00 C ATOM 1250 C ASP A 79 14.314 -3.631 -16.856 1.00 0.00 C ATOM 1251 O ASP A 79 13.675 -4.650 -16.592 1.00 0.00 O ATOM 1252 CB ASP A 79 14.504 -2.722 -19.168 1.00 0.00 C ATOM 1253 CG ASP A 79 15.909 -2.138 -19.045 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.771 -2.824 -18.520 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.100 -1.015 -19.479 1.00 0.00 O ATOM 0 H ASP A 79 14.347 -0.564 -17.923 1.00 0.00 H new ATOM 0 HA ASP A 79 12.700 -2.770 -17.981 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.561 -3.771 -19.459 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.952 -2.203 -19.952 1.00 0.00 H new ATOM 1260 N ASP A 80 15.503 -3.365 -16.325 1.00 0.00 N ATOM 1261 CA ASP A 80 16.124 -4.290 -15.379 1.00 0.00 C ATOM 1262 C ASP A 80 15.382 -4.263 -14.047 1.00 0.00 C ATOM 1263 O ASP A 80 15.249 -5.283 -13.371 1.00 0.00 O ATOM 1264 CB ASP A 80 17.587 -3.911 -15.139 1.00 0.00 C ATOM 1265 CG ASP A 80 18.474 -4.649 -16.136 1.00 0.00 C ATOM 1266 OD1 ASP A 80 18.175 -5.794 -16.430 1.00 0.00 O ATOM 1267 OD2 ASP A 80 19.440 -4.057 -16.591 1.00 0.00 O ATOM 0 H ASP A 80 16.051 -2.529 -16.529 1.00 0.00 H new ATOM 0 HA ASP A 80 16.074 -5.292 -15.806 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.717 -2.834 -15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.877 -4.166 -14.120 1.00 0.00 H new ATOM 1272 N LEU A 81 14.907 -3.077 -13.677 1.00 0.00 N ATOM 1273 CA LEU A 81 14.184 -2.909 -12.419 1.00 0.00 C ATOM 1274 C LEU A 81 12.838 -3.630 -12.461 1.00 0.00 C ATOM 1275 O LEU A 81 12.479 -4.350 -11.534 1.00 0.00 O ATOM 1276 CB LEU A 81 13.941 -1.421 -12.143 1.00 0.00 C ATOM 1277 CG LEU A 81 15.057 -0.700 -11.386 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.979 0.803 -11.668 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.895 -0.943 -9.884 1.00 0.00 C ATOM 0 H LEU A 81 15.008 -2.223 -14.226 1.00 0.00 H new ATOM 0 HA LEU A 81 14.794 -3.339 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.785 -0.914 -13.095 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.017 -1.321 -11.574 1.00 0.00 H new ATOM 0 HG LEU A 81 16.023 -1.083 -11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.775 1.316 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.094 0.979 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.013 1.185 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.691 -0.429 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.928 -0.561 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.951 -2.012 -9.680 1.00 0.00 H new ATOM 1291 N VAL A 82 12.096 -3.417 -13.545 1.00 0.00 N ATOM 1292 CA VAL A 82 10.772 -4.029 -13.701 1.00 0.00 C ATOM 1293 C VAL A 82 10.833 -5.551 -13.546 1.00 0.00 C ATOM 1294 O VAL A 82 9.840 -6.188 -13.193 1.00 0.00 O ATOM 1295 CB VAL A 82 10.201 -3.692 -15.087 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.771 -4.231 -15.214 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.192 -2.170 -15.287 1.00 0.00 C ATOM 0 H VAL A 82 12.384 -2.829 -14.327 1.00 0.00 H new ATOM 0 HA VAL A 82 10.129 -3.626 -12.919 1.00 0.00 H new ATOM 0 HB VAL A 82 10.827 -4.157 -15.848 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.376 -3.986 -16.200 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.777 -5.313 -15.084 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.142 -3.777 -14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.786 -1.935 -16.271 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.573 -1.706 -14.519 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.210 -1.787 -15.213 1.00 0.00 H new ATOM 1307 N ALA A 83 11.996 -6.130 -13.818 1.00 0.00 N ATOM 1308 CA ALA A 83 12.151 -7.576 -13.708 1.00 0.00 C ATOM 1309 C ALA A 83 11.971 -8.041 -12.263 1.00 0.00 C ATOM 1310 O ALA A 83 10.996 -8.716 -11.929 1.00 0.00 O ATOM 1311 CB ALA A 83 13.536 -8.004 -14.197 1.00 0.00 C ATOM 0 H ALA A 83 12.835 -5.630 -14.112 1.00 0.00 H new ATOM 0 HA ALA A 83 11.382 -8.036 -14.329 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.635 -9.086 -14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.660 -7.713 -15.240 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.302 -7.519 -13.592 1.00 0.00 H new ATOM 1317 N LYS A 84 12.935 -7.690 -11.417 1.00 0.00 N ATOM 1318 CA LYS A 84 12.895 -8.092 -10.010 1.00 0.00 C ATOM 1319 C LYS A 84 11.925 -7.237 -9.185 1.00 0.00 C ATOM 1320 O LYS A 84 11.610 -7.582 -8.045 1.00 0.00 O ATOM 1321 CB LYS A 84 14.293 -7.983 -9.395 1.00 0.00 C ATOM 1322 CG LYS A 84 14.467 -9.060 -8.321 1.00 0.00 C ATOM 1323 CD LYS A 84 15.917 -9.551 -8.316 1.00 0.00 C ATOM 1324 CE LYS A 84 16.770 -8.616 -7.456 1.00 0.00 C ATOM 1325 NZ LYS A 84 18.127 -9.185 -7.214 1.00 0.00 N ATOM 0 H LYS A 84 13.749 -7.132 -11.676 1.00 0.00 H new ATOM 0 HA LYS A 84 12.543 -9.123 -9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.052 -8.101 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.433 -6.994 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.205 -8.658 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.791 -9.893 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.966 -10.567 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.305 -9.581 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.862 -7.649 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.272 -8.441 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.680 -8.527 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.038 -10.097 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.610 -9.329 -8.124 1.00 0.00 H new ATOM 1339 N CYS A 85 11.457 -6.121 -9.748 1.00 0.00 N ATOM 1340 CA CYS A 85 10.536 -5.253 -9.014 1.00 0.00 C ATOM 1341 C CYS A 85 9.088 -5.692 -9.207 1.00 0.00 C ATOM 1342 O CYS A 85 8.309 -5.738 -8.255 1.00 0.00 O ATOM 1343 CB CYS A 85 10.667 -3.800 -9.472 1.00 0.00 C ATOM 1344 SG CYS A 85 12.247 -3.123 -8.899 1.00 0.00 S ATOM 0 H CYS A 85 11.694 -5.803 -10.688 1.00 0.00 H new ATOM 0 HA CYS A 85 10.802 -5.332 -7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.608 -3.744 -10.559 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.841 -3.208 -9.077 1.00 0.00 H new ATOM 1349 N ALA A 86 8.727 -6.003 -10.448 1.00 0.00 N ATOM 1350 CA ALA A 86 7.355 -6.419 -10.741 1.00 0.00 C ATOM 1351 C ALA A 86 7.154 -7.910 -10.446 1.00 0.00 C ATOM 1352 O ALA A 86 6.770 -8.688 -11.321 1.00 0.00 O ATOM 1353 CB ALA A 86 7.013 -6.134 -12.206 1.00 0.00 C ATOM 0 H ALA A 86 9.350 -5.977 -11.255 1.00 0.00 H new ATOM 0 HA ALA A 86 6.689 -5.845 -10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.989 -6.449 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.109 -5.066 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.696 -6.684 -12.853 1.00 0.00 H new ATOM 1359 N VAL A 87 7.412 -8.296 -9.198 1.00 0.00 N ATOM 1360 CA VAL A 87 7.248 -9.690 -8.791 1.00 0.00 C ATOM 1361 C VAL A 87 5.780 -10.100 -8.877 1.00 0.00 C ATOM 1362 O VAL A 87 4.943 -9.613 -8.116 1.00 0.00 O ATOM 1363 CB VAL A 87 7.747 -9.896 -7.358 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.247 -9.609 -7.298 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.003 -8.949 -6.405 1.00 0.00 C ATOM 0 H VAL A 87 7.732 -7.671 -8.458 1.00 0.00 H new ATOM 0 HA VAL A 87 7.837 -10.310 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 87 7.559 -10.926 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.605 -9.755 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.774 -10.288 -7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.433 -8.579 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.363 -9.101 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.184 -7.916 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.934 -9.157 -6.447 1.00 0.00 H new ATOM 1375 N LYS A 88 5.476 -10.998 -9.807 1.00 0.00 N ATOM 1376 CA LYS A 88 4.102 -11.461 -9.977 1.00 0.00 C ATOM 1377 C LYS A 88 3.637 -12.212 -8.732 1.00 0.00 C ATOM 1378 O LYS A 88 4.104 -13.314 -8.444 1.00 0.00 O ATOM 1379 CB LYS A 88 3.989 -12.389 -11.191 1.00 0.00 C ATOM 1380 CG LYS A 88 5.031 -13.511 -11.087 1.00 0.00 C ATOM 1381 CD LYS A 88 4.333 -14.845 -10.807 1.00 0.00 C ATOM 1382 CE LYS A 88 3.780 -15.415 -12.114 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.354 -16.835 -11.951 1.00 0.00 N ATOM 0 H LYS A 88 6.151 -11.416 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 88 3.471 -10.586 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.987 -12.815 -11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.142 -11.822 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.602 -13.576 -12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.741 -13.288 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.035 -15.548 -10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.525 -14.701 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.932 -14.815 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.540 -15.349 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.984 -17.192 -12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.169 -17.411 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.611 -16.894 -11.225 1.00 0.00 H new ATOM 1397 N LYS A 89 2.713 -11.600 -7.995 1.00 0.00 N ATOM 1398 CA LYS A 89 2.191 -12.217 -6.778 1.00 0.00 C ATOM 1399 C LYS A 89 0.866 -12.920 -7.061 1.00 0.00 C ATOM 1400 O LYS A 89 0.369 -12.911 -8.188 1.00 0.00 O ATOM 1401 CB LYS A 89 1.982 -11.162 -5.687 1.00 0.00 C ATOM 1402 CG LYS A 89 3.259 -11.034 -4.852 1.00 0.00 C ATOM 1403 CD LYS A 89 3.446 -9.577 -4.422 1.00 0.00 C ATOM 1404 CE LYS A 89 4.731 -9.451 -3.601 1.00 0.00 C ATOM 1405 NZ LYS A 89 4.475 -9.678 -2.151 1.00 0.00 N ATOM 0 H LYS A 89 2.314 -10.688 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 89 2.920 -12.950 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.731 -10.202 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.144 -11.443 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.198 -11.678 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.120 -11.366 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.497 -8.931 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.591 -9.248 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.466 -10.172 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.161 -8.460 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.108 -9.075 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.486 -9.442 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.652 -10.676 -1.919 1.00 0.00 H new ATOM 1419 N ASP A 90 0.305 -13.537 -6.026 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.960 -14.257 -6.169 1.00 0.00 C ATOM 1421 C ASP A 90 -2.114 -13.292 -6.429 1.00 0.00 C ATOM 1422 O ASP A 90 -2.952 -13.530 -7.299 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.267 -15.067 -4.905 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.149 -14.170 -3.677 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.033 -13.955 -3.230 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.173 -13.708 -3.203 1.00 0.00 O ATOM 0 H ASP A 90 0.700 -13.555 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.857 -14.931 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.271 -15.486 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.576 -15.906 -4.822 1.00 0.00 H new ATOM 1431 N THR A 91 -2.155 -12.203 -5.666 1.00 0.00 N ATOM 1432 CA THR A 91 -3.222 -11.219 -5.830 1.00 0.00 C ATOM 1433 C THR A 91 -2.741 -10.054 -6.700 1.00 0.00 C ATOM 1434 O THR A 91 -1.569 -9.681 -6.654 1.00 0.00 O ATOM 1435 CB THR A 91 -3.671 -10.683 -4.466 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.600 -10.791 -3.539 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.865 -11.497 -3.965 1.00 0.00 C ATOM 0 H THR A 91 -1.474 -11.981 -4.940 1.00 0.00 H new ATOM 0 HA THR A 91 -4.065 -11.709 -6.317 1.00 0.00 H new ATOM 0 HB THR A 91 -3.962 -9.637 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.496 -11.727 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.184 -11.116 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.687 -11.413 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.576 -12.543 -3.866 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.639 -9.465 -7.504 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.285 -8.340 -8.379 1.00 0.00 C ATOM 1447 C PRO A 92 -3.044 -7.057 -7.593 1.00 0.00 C ATOM 1448 O PRO A 92 -2.052 -6.359 -7.805 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.492 -8.189 -9.298 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.635 -8.769 -8.539 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.063 -9.828 -7.638 1.00 0.00 C ATOM 0 HA PRO A 92 -2.357 -8.526 -8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.672 -7.142 -9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.338 -8.715 -10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.144 -8.000 -7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.373 -9.196 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.563 -9.839 -6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.181 -10.822 -8.069 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.957 -6.756 -6.672 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.823 -5.555 -5.850 1.00 0.00 C ATOM 1461 C GLN A 93 -2.510 -5.588 -5.063 1.00 0.00 C ATOM 1462 O GLN A 93 -1.970 -4.548 -4.690 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.002 -5.420 -4.879 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.086 -6.654 -3.974 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.141 -7.618 -4.510 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.237 -7.832 -5.719 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -6.945 -8.218 -3.675 1.00 0.00 N ATOM 0 H GLN A 93 -4.786 -7.318 -6.478 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.819 -4.693 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.882 -4.522 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.931 -5.305 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.116 -7.150 -3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.338 -6.354 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.865 -8.041 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.653 -8.864 -4.024 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.993 -6.797 -4.832 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.736 -6.949 -4.108 1.00 0.00 C ATOM 1478 C HIS A 94 0.417 -6.474 -4.984 1.00 0.00 C ATOM 1479 O HIS A 94 1.115 -5.513 -4.654 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.510 -8.415 -3.726 1.00 0.00 C ATOM 1481 CG HIS A 94 0.418 -8.496 -2.542 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.889 -7.541 -1.674 1.00 0.00 N flip ATOM 1483 CD2 HIS A 94 0.982 -9.693 -2.128 1.00 0.00 C flip ATOM 1484 CE1 HIS A 94 1.729 -8.133 -0.736 1.00 0.00 C flip ATOM 1485 NE2 HIS A 94 1.750 -9.429 -1.055 1.00 0.00 N flip ATOM 0 H HIS A 94 -2.421 -7.673 -5.133 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.783 -6.350 -3.199 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.462 -8.889 -3.487 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.086 -8.959 -4.570 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.832 -10.661 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.252 -7.648 0.075 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.284 -10.134 -0.547 1.00 0.00 H new ATOM 1493 N SER A 95 0.601 -7.153 -6.118 1.00 0.00 N ATOM 1494 CA SER A 95 1.665 -6.797 -7.066 1.00 0.00 C ATOM 1495 C SER A 95 1.662 -5.295 -7.372 1.00 0.00 C ATOM 1496 O SER A 95 2.694 -4.714 -7.707 1.00 0.00 O ATOM 1497 CB SER A 95 1.489 -7.565 -8.375 1.00 0.00 C ATOM 1498 OG SER A 95 0.343 -7.074 -9.058 1.00 0.00 O ATOM 0 H SER A 95 0.031 -7.949 -6.404 1.00 0.00 H new ATOM 0 HA SER A 95 2.615 -7.062 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.375 -7.450 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.377 -8.630 -8.173 1.00 0.00 H new ATOM 0 HG SER A 95 -0.366 -6.879 -8.410 1.00 0.00 H new ATOM 1504 N SER A 96 0.484 -4.678 -7.259 1.00 0.00 N ATOM 1505 CA SER A 96 0.345 -3.247 -7.528 1.00 0.00 C ATOM 1506 C SER A 96 1.289 -2.430 -6.648 1.00 0.00 C ATOM 1507 O SER A 96 2.084 -1.629 -7.141 1.00 0.00 O ATOM 1508 CB SER A 96 -1.090 -2.794 -7.262 1.00 0.00 C ATOM 1509 OG SER A 96 -1.974 -3.883 -7.494 1.00 0.00 O ATOM 0 H SER A 96 -0.381 -5.144 -6.985 1.00 0.00 H new ATOM 0 HA SER A 96 0.598 -3.082 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.189 -2.442 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.346 -1.957 -7.912 1.00 0.00 H new ATOM 0 HG SER A 96 -1.521 -4.562 -8.037 1.00 0.00 H new ATOM 1515 N ALA A 97 1.191 -2.643 -5.340 1.00 0.00 N ATOM 1516 CA ALA A 97 2.038 -1.921 -4.393 1.00 0.00 C ATOM 1517 C ALA A 97 3.513 -2.199 -4.665 1.00 0.00 C ATOM 1518 O ALA A 97 4.369 -1.336 -4.472 1.00 0.00 O ATOM 1519 CB ALA A 97 1.713 -2.340 -2.958 1.00 0.00 C ATOM 0 H ALA A 97 0.541 -3.303 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 97 1.842 -0.856 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.353 -1.793 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.669 -2.116 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.886 -3.410 -2.843 1.00 0.00 H new ATOM 1525 N ASP A 98 3.801 -3.417 -5.118 1.00 0.00 N ATOM 1526 CA ASP A 98 5.178 -3.805 -5.412 1.00 0.00 C ATOM 1527 C ASP A 98 5.762 -2.920 -6.510 1.00 0.00 C ATOM 1528 O ASP A 98 6.908 -2.479 -6.426 1.00 0.00 O ATOM 1529 CB ASP A 98 5.241 -5.265 -5.863 1.00 0.00 C ATOM 1530 CG ASP A 98 4.861 -6.172 -4.697 1.00 0.00 C ATOM 1531 OD1 ASP A 98 5.647 -6.271 -3.770 1.00 0.00 O ATOM 1532 OD2 ASP A 98 3.792 -6.756 -4.750 1.00 0.00 O ATOM 0 H ASP A 98 3.107 -4.145 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 98 5.761 -3.682 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.563 -5.428 -6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.245 -5.506 -6.214 1.00 0.00 H new ATOM 1537 N PHE A 99 4.962 -2.664 -7.543 1.00 0.00 N ATOM 1538 CA PHE A 99 5.417 -1.828 -8.653 1.00 0.00 C ATOM 1539 C PHE A 99 5.725 -0.418 -8.160 1.00 0.00 C ATOM 1540 O PHE A 99 6.799 0.126 -8.416 1.00 0.00 O ATOM 1541 CB PHE A 99 4.352 -1.742 -9.756 1.00 0.00 C ATOM 1542 CG PHE A 99 3.811 -3.119 -10.086 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.683 -4.201 -10.275 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.429 -3.308 -10.209 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.170 -5.468 -10.584 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.918 -4.573 -10.518 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.789 -5.654 -10.705 1.00 0.00 C ATOM 0 H PHE A 99 4.009 -3.017 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 99 6.318 -2.287 -9.061 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.538 -1.094 -9.433 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.783 -1.291 -10.650 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.749 -4.058 -10.182 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.756 -2.475 -10.065 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.841 -6.301 -10.729 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.852 -4.716 -10.612 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.394 -6.631 -10.943 1.00 0.00 H new ATOM 1557 N PHE A 100 4.766 0.169 -7.447 1.00 0.00 N ATOM 1558 CA PHE A 100 4.938 1.518 -6.919 1.00 0.00 C ATOM 1559 C PHE A 100 5.654 1.474 -5.568 1.00 0.00 C ATOM 1560 O PHE A 100 5.067 1.751 -4.521 1.00 0.00 O ATOM 1561 CB PHE A 100 3.574 2.200 -6.751 1.00 0.00 C ATOM 1562 CG PHE A 100 3.694 3.679 -7.045 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.677 4.447 -6.407 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.818 4.283 -7.956 1.00 0.00 C ATOM 1565 CE1 PHE A 100 4.784 5.816 -6.680 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.926 5.652 -8.229 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.908 6.418 -7.592 1.00 0.00 C ATOM 0 H PHE A 100 3.870 -0.265 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 100 5.541 2.088 -7.625 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.846 1.745 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.207 2.052 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.353 3.983 -5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.059 3.693 -8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.542 6.408 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.251 6.117 -8.932 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.991 7.474 -7.804 1.00 0.00 H new ATOM 1577 N LYS A 101 6.937 1.117 -5.604 1.00 0.00 N ATOM 1578 CA LYS A 101 7.729 1.035 -4.377 1.00 0.00 C ATOM 1579 C LYS A 101 9.163 0.627 -4.699 1.00 0.00 C ATOM 1580 O LYS A 101 10.117 1.324 -4.354 1.00 0.00 O ATOM 1581 CB LYS A 101 7.123 0.007 -3.416 1.00 0.00 C ATOM 1582 CG LYS A 101 7.266 0.503 -1.975 1.00 0.00 C ATOM 1583 CD LYS A 101 6.133 -0.073 -1.120 1.00 0.00 C ATOM 1584 CE LYS A 101 5.675 0.974 -0.104 1.00 0.00 C ATOM 1585 NZ LYS A 101 4.575 0.453 0.755 1.00 0.00 N ATOM 0 H LYS A 101 7.445 0.883 -6.457 1.00 0.00 H new ATOM 0 HA LYS A 101 7.725 2.018 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.071 -0.152 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.625 -0.954 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.231 0.200 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.237 1.592 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.298 -0.368 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.473 -0.971 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.518 1.270 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.337 1.868 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.356 1.147 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.728 0.289 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.872 -0.442 1.194 1.00 0.00 H new ATOM 1599 N CYS A 102 9.299 -0.516 -5.367 1.00 0.00 N ATOM 1600 CA CYS A 102 10.616 -1.035 -5.744 1.00 0.00 C ATOM 1601 C CYS A 102 11.415 0.016 -6.516 1.00 0.00 C ATOM 1602 O CYS A 102 12.531 0.373 -6.138 1.00 0.00 O ATOM 1603 CB CYS A 102 10.454 -2.277 -6.621 1.00 0.00 C ATOM 1604 SG CYS A 102 12.064 -3.060 -6.889 1.00 0.00 S ATOM 0 H CYS A 102 8.516 -1.101 -5.659 1.00 0.00 H new ATOM 0 HA CYS A 102 11.153 -1.290 -4.830 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.772 -2.982 -6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.011 -2.001 -7.578 1.00 0.00 H new ATOM 1609 N VAL A 103 10.825 0.503 -7.604 1.00 0.00 N ATOM 1610 CA VAL A 103 11.478 1.514 -8.434 1.00 0.00 C ATOM 1611 C VAL A 103 11.794 2.769 -7.618 1.00 0.00 C ATOM 1612 O VAL A 103 12.716 3.518 -7.944 1.00 0.00 O ATOM 1613 CB VAL A 103 10.587 1.895 -9.622 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.559 0.740 -10.626 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.162 2.182 -9.137 1.00 0.00 C ATOM 0 H VAL A 103 9.902 0.217 -7.931 1.00 0.00 H new ATOM 0 HA VAL A 103 12.410 1.086 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 103 10.989 2.789 -10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.926 1.008 -11.472 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.571 0.540 -10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.160 -0.152 -10.143 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.536 2.452 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.756 1.293 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.180 3.006 -8.423 1.00 0.00 H new ATOM 1625 N HIS A 104 11.024 2.991 -6.555 1.00 0.00 N ATOM 1626 CA HIS A 104 11.240 4.158 -5.705 1.00 0.00 C ATOM 1627 C HIS A 104 12.348 3.885 -4.691 1.00 0.00 C ATOM 1628 O HIS A 104 13.372 4.569 -4.669 1.00 0.00 O ATOM 1629 CB HIS A 104 9.958 4.521 -4.954 1.00 0.00 C ATOM 1630 CG HIS A 104 9.129 5.447 -5.800 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.353 4.990 -6.853 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.946 6.807 -5.762 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.745 6.058 -7.402 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.073 7.191 -6.775 1.00 0.00 N ATOM 0 H HIS A 104 10.255 2.387 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 104 11.532 4.989 -6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.392 3.619 -4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.202 4.998 -4.005 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.409 7.477 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.074 6.005 -8.246 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.752 8.135 -6.992 1.00 0.00 H new ATOM 1642 N ASP A 105 12.131 2.877 -3.850 1.00 0.00 N ATOM 1643 CA ASP A 105 13.119 2.520 -2.833 1.00 0.00 C ATOM 1644 C ASP A 105 14.052 1.431 -3.356 1.00 0.00 C ATOM 1645 O ASP A 105 13.860 0.245 -3.085 1.00 0.00 O ATOM 1646 CB ASP A 105 12.426 2.017 -1.564 1.00 0.00 C ATOM 1647 CG ASP A 105 11.468 3.087 -1.051 1.00 0.00 C ATOM 1648 OD1 ASP A 105 10.331 3.099 -1.494 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.886 3.878 -0.221 1.00 0.00 O ATOM 0 H ASP A 105 11.291 2.299 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 105 13.698 3.413 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.881 1.097 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.168 1.781 -0.801 1.00 0.00 H new