USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 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 Single : A 16 LYS NZ :NH3+ -169:sc= -1.57 (180deg=-1.88) USER MOD Single : A 18 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.7) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 28:sc= 0.188 USER MOD Single : A 34 CYS SG : rot -91:sc= 0.258 USER MOD Single : A 36 SER OG : rot 39:sc= 0.205 USER MOD Single : A 41 GLN : amide:sc= -1.45 K(o=-1.5,f=-4.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.19! K(o=-2.2!,f=-1) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.243 K(o=-0.24,f=-4.5!) USER MOD Single : A 64 ASN : amide:sc= -3.45! C(o=-3.5!,f=-2.4!) USER MOD Single : A 70 HIS : no HD1:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -0.183 (180deg=-1.44!) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.743 USER MOD Single : A 78 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.0037) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 143 N GLY A 14 10.064 -2.528 10.804 1.00 0.00 N ATOM 144 CA GLY A 14 9.140 -1.867 9.901 1.00 0.00 C ATOM 145 C GLY A 14 7.856 -1.448 10.591 1.00 0.00 C ATOM 146 O GLY A 14 7.586 -1.862 11.718 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.622 -0.988 9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.903 -2.536 9.074 1.00 0.00 H new ATOM 150 N GLU A 15 7.065 -0.622 9.913 1.00 0.00 N ATOM 151 CA GLU A 15 5.804 -0.145 10.470 1.00 0.00 C ATOM 152 C GLU A 15 4.736 -0.038 9.385 1.00 0.00 C ATOM 153 O GLU A 15 5.037 0.257 8.228 1.00 0.00 O ATOM 154 CB GLU A 15 6.001 1.214 11.144 1.00 0.00 C ATOM 155 CG GLU A 15 6.536 2.286 10.208 1.00 0.00 C ATOM 156 CD GLU A 15 7.967 2.023 9.779 1.00 0.00 C ATOM 157 OE1 GLU A 15 8.860 2.034 10.652 1.00 0.00 O ATOM 158 OE2 GLU A 15 8.192 1.807 8.570 1.00 0.00 O ATOM 0 H GLU A 15 7.274 -0.270 8.979 1.00 0.00 H new ATOM 0 HA GLU A 15 5.469 -0.867 11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.049 1.547 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.689 1.098 11.982 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.900 2.342 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.481 3.256 10.703 1.00 0.00 H new ATOM 165 N LYS A 16 3.487 -0.280 9.767 1.00 0.00 N ATOM 166 CA LYS A 16 2.372 -0.210 8.830 1.00 0.00 C ATOM 167 C LYS A 16 1.945 1.236 8.599 1.00 0.00 C ATOM 168 O LYS A 16 1.413 1.888 9.499 1.00 0.00 O ATOM 169 CB LYS A 16 1.188 -1.026 9.352 1.00 0.00 C ATOM 170 CG LYS A 16 0.964 -0.885 10.847 1.00 0.00 C ATOM 171 CD LYS A 16 -0.507 -1.014 11.205 1.00 0.00 C ATOM 172 CE LYS A 16 -0.872 -2.449 11.555 1.00 0.00 C ATOM 173 NZ LYS A 16 -0.773 -3.350 10.373 1.00 0.00 N ATOM 0 H LYS A 16 3.221 -0.527 10.720 1.00 0.00 H new ATOM 0 HA LYS A 16 2.702 -0.629 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.284 -0.716 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.350 -2.078 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.536 -1.648 11.375 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.337 0.083 11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.736 -0.363 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.117 -0.676 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.211 -2.810 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.887 -2.479 11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.203 -4.269 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.274 -2.923 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.227 -3.488 10.125 1.00 0.00 H new ATOM 187 N LEU A 17 2.178 1.732 7.389 1.00 0.00 N ATOM 188 CA LEU A 17 1.815 3.101 7.040 1.00 0.00 C ATOM 189 C LEU A 17 0.723 3.120 5.976 1.00 0.00 C ATOM 190 O LEU A 17 0.680 2.255 5.101 1.00 0.00 O ATOM 191 CB LEU A 17 3.044 3.863 6.540 1.00 0.00 C ATOM 192 CG LEU A 17 4.302 3.747 7.401 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.550 3.854 6.539 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.307 4.816 8.485 1.00 0.00 C ATOM 0 H LEU A 17 2.617 1.207 6.633 1.00 0.00 H new ATOM 0 HA LEU A 17 1.432 3.589 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.281 3.511 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.783 4.918 6.454 1.00 0.00 H new ATOM 0 HG LEU A 17 4.301 2.769 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.436 3.769 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.552 3.052 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.558 4.817 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.210 4.718 9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.284 5.803 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.430 4.693 9.121 1.00 0.00 H new ATOM 206 N GLN A 18 -0.157 4.113 6.056 1.00 0.00 N ATOM 207 CA GLN A 18 -1.249 4.245 5.099 1.00 0.00 C ATOM 208 C GLN A 18 -0.958 5.352 4.091 1.00 0.00 C ATOM 209 O GLN A 18 -0.327 6.356 4.422 1.00 0.00 O ATOM 210 CB GLN A 18 -2.562 4.535 5.827 1.00 0.00 C ATOM 211 CG GLN A 18 -3.726 4.822 4.893 1.00 0.00 C ATOM 212 CD GLN A 18 -4.803 5.667 5.544 1.00 0.00 C ATOM 213 OE1 GLN A 18 -4.946 6.852 5.242 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.568 5.060 6.444 1.00 0.00 N ATOM 0 H GLN A 18 -0.135 4.838 6.774 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.342 3.302 4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.814 3.682 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.419 5.389 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.356 5.333 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.161 3.879 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.414 4.076 6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.309 5.578 6.916 1.00 0.00 H new ATOM 223 N ILE A 19 -1.421 5.161 2.860 1.00 0.00 N ATOM 224 CA ILE A 19 -1.211 6.144 1.805 1.00 0.00 C ATOM 225 C ILE A 19 -2.477 6.343 0.979 1.00 0.00 C ATOM 226 O ILE A 19 -2.969 5.413 0.339 1.00 0.00 O ATOM 227 CB ILE A 19 -0.061 5.728 0.868 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.223 5.506 1.670 1.00 0.00 C ATOM 229 CG2 ILE A 19 0.154 6.782 -0.207 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.766 6.768 2.303 1.00 0.00 C ATOM 0 H ILE A 19 -1.944 4.335 2.569 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.948 7.081 2.295 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.329 4.791 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.031 4.771 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.983 5.082 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.970 6.474 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.758 6.895 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.405 7.734 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.676 6.535 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.990 7.498 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.023 7.181 2.985 1.00 0.00 H new ATOM 242 N THR A 20 -3.002 7.565 0.995 1.00 0.00 N ATOM 243 CA THR A 20 -4.211 7.888 0.247 1.00 0.00 C ATOM 244 C THR A 20 -3.881 8.274 -1.190 1.00 0.00 C ATOM 245 O THR A 20 -3.029 9.129 -1.434 1.00 0.00 O ATOM 246 CB THR A 20 -4.991 9.039 0.910 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.562 8.595 2.146 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.091 9.547 -0.010 1.00 0.00 C ATOM 0 H THR A 20 -2.608 8.347 1.518 1.00 0.00 H new ATOM 0 HA THR A 20 -4.832 6.992 0.246 1.00 0.00 H new ATOM 0 HB THR A 20 -4.296 9.856 1.104 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.055 9.333 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.628 10.359 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.650 9.911 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.784 8.735 -0.231 1.00 0.00 H new ATOM 256 N ILE A 21 -4.562 7.640 -2.139 1.00 0.00 N ATOM 257 CA ILE A 21 -4.342 7.919 -3.553 1.00 0.00 C ATOM 258 C ILE A 21 -5.630 8.379 -4.229 1.00 0.00 C ATOM 259 O ILE A 21 -6.701 7.822 -3.990 1.00 0.00 O ATOM 260 CB ILE A 21 -3.801 6.682 -4.294 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.501 6.201 -3.645 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.578 7.001 -5.764 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.020 4.868 -4.174 1.00 0.00 C ATOM 0 H ILE A 21 -5.271 6.930 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.601 8.717 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.539 5.883 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.725 6.949 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.649 6.124 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.196 6.117 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.522 7.302 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.856 7.813 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.095 4.589 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.778 4.108 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.840 4.946 -5.246 1.00 0.00 H new ATOM 275 N ARG A 22 -5.516 9.398 -5.074 1.00 0.00 N ATOM 276 CA ARG A 22 -6.670 9.933 -5.786 1.00 0.00 C ATOM 277 C ARG A 22 -6.585 9.617 -7.276 1.00 0.00 C ATOM 278 O ARG A 22 -5.497 9.581 -7.852 1.00 0.00 O ATOM 279 CB ARG A 22 -6.767 11.446 -5.580 1.00 0.00 C ATOM 280 CG ARG A 22 -5.540 12.206 -6.057 1.00 0.00 C ATOM 281 CD ARG A 22 -5.833 13.688 -6.223 1.00 0.00 C ATOM 282 NE ARG A 22 -6.363 13.996 -7.548 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.706 15.220 -7.937 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.574 16.244 -7.106 1.00 0.00 N ATOM 285 NH2 ARG A 22 -7.181 15.420 -9.160 1.00 0.00 N ATOM 0 H ARG A 22 -4.636 9.870 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.565 9.460 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.644 11.820 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.922 11.651 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.727 12.072 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.201 11.792 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.549 14.003 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.920 14.259 -6.056 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.476 13.230 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.209 16.094 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.838 17.182 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.283 14.634 -9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.444 16.359 -9.458 1.00 0.00 H new ATOM 299 N ARG A 23 -7.739 9.387 -7.894 1.00 0.00 N ATOM 300 CA ARG A 23 -7.795 9.072 -9.316 1.00 0.00 C ATOM 301 C ARG A 23 -7.835 10.346 -10.155 1.00 0.00 C ATOM 302 O ARG A 23 -8.862 11.020 -10.229 1.00 0.00 O ATOM 303 CB ARG A 23 -9.020 8.209 -9.622 1.00 0.00 C ATOM 304 CG ARG A 23 -9.270 8.010 -11.108 1.00 0.00 C ATOM 305 CD ARG A 23 -10.690 7.534 -11.375 1.00 0.00 C ATOM 306 NE ARG A 23 -10.821 6.916 -12.692 1.00 0.00 N ATOM 307 CZ ARG A 23 -11.931 6.324 -13.118 1.00 0.00 C ATOM 308 NH1 ARG A 23 -13.000 6.271 -12.337 1.00 0.00 N ATOM 309 NH2 ARG A 23 -11.972 5.784 -14.330 1.00 0.00 N ATOM 0 H ARG A 23 -8.648 9.413 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.894 8.516 -9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.894 7.235 -9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.900 8.670 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.094 8.947 -11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.561 7.283 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.983 6.817 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.375 8.378 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.016 6.940 -13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.972 6.686 -11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.851 5.816 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.151 5.824 -14.934 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.824 5.329 -14.657 1.00 0.00 H new ATOM 371 N PHE A 28 -5.337 6.181 -11.617 1.00 0.00 N ATOM 372 CA PHE A 28 -4.783 6.479 -10.301 1.00 0.00 C ATOM 373 C PHE A 28 -3.347 6.982 -10.417 1.00 0.00 C ATOM 374 O PHE A 28 -3.043 8.115 -10.046 1.00 0.00 O ATOM 375 CB PHE A 28 -4.831 5.236 -9.411 1.00 0.00 C ATOM 376 CG PHE A 28 -6.205 4.923 -8.892 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.720 5.606 -7.802 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.981 3.945 -9.493 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.984 5.319 -7.321 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.246 3.654 -9.017 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.748 4.343 -7.930 1.00 0.00 C ATOM 0 HA PHE A 28 -5.388 7.264 -9.848 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.461 4.380 -9.976 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.156 5.377 -8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.127 6.371 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.593 3.404 -10.343 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.374 5.858 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.841 2.889 -9.494 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.736 4.119 -7.557 1.00 0.00 H new ATOM 391 N GLY A 29 -2.468 6.129 -10.933 1.00 0.00 N ATOM 392 CA GLY A 29 -1.074 6.503 -11.088 1.00 0.00 C ATOM 393 C GLY A 29 -0.127 5.382 -10.707 1.00 0.00 C ATOM 394 O GLY A 29 0.857 5.128 -11.402 1.00 0.00 O ATOM 0 H GLY A 29 -2.696 5.186 -11.247 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.892 6.793 -12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.865 7.377 -10.471 1.00 0.00 H new ATOM 398 N PHE A 30 -0.423 4.711 -9.599 1.00 0.00 N ATOM 399 CA PHE A 30 0.411 3.612 -9.125 1.00 0.00 C ATOM 400 C PHE A 30 -0.067 2.281 -9.697 1.00 0.00 C ATOM 401 O PHE A 30 -1.268 2.039 -9.819 1.00 0.00 O ATOM 402 CB PHE A 30 0.399 3.558 -7.596 1.00 0.00 C ATOM 403 CG PHE A 30 -0.828 2.902 -7.029 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.049 3.556 -7.047 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.759 1.633 -6.479 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.179 2.955 -6.525 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.886 1.027 -5.956 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.098 1.688 -5.980 1.00 0.00 C ATOM 0 H PHE A 30 -1.234 4.909 -9.012 1.00 0.00 H new ATOM 0 HA PHE A 30 1.431 3.788 -9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.281 3.018 -7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.473 4.572 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.119 4.546 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.186 1.111 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.125 3.476 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.819 0.037 -5.529 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.980 1.216 -5.574 1.00 0.00 H new ATOM 418 N THR A 31 0.883 1.418 -10.046 1.00 0.00 N ATOM 419 CA THR A 31 0.560 0.112 -10.606 1.00 0.00 C ATOM 420 C THR A 31 0.866 -1.003 -9.613 1.00 0.00 C ATOM 421 O THR A 31 1.897 -0.981 -8.939 1.00 0.00 O ATOM 422 CB THR A 31 1.340 -0.149 -11.909 1.00 0.00 C ATOM 423 OG1 THR A 31 1.320 1.021 -12.734 1.00 0.00 O ATOM 424 CG2 THR A 31 0.744 -1.323 -12.671 1.00 0.00 C ATOM 0 H THR A 31 1.882 1.601 -9.950 1.00 0.00 H new ATOM 0 HA THR A 31 -0.508 0.117 -10.825 1.00 0.00 H new ATOM 0 HB THR A 31 2.370 -0.392 -11.648 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.819 0.848 -13.559 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.311 -1.488 -13.587 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.787 -2.219 -12.051 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.294 -1.105 -12.922 1.00 0.00 H new ATOM 432 N ILE A 32 -0.034 -1.976 -9.527 1.00 0.00 N ATOM 433 CA ILE A 32 0.142 -3.101 -8.617 1.00 0.00 C ATOM 434 C ILE A 32 -0.426 -4.385 -9.212 1.00 0.00 C ATOM 435 O ILE A 32 -1.577 -4.422 -9.650 1.00 0.00 O ATOM 436 CB ILE A 32 -0.533 -2.836 -7.258 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.029 -2.578 -7.449 1.00 0.00 C ATOM 438 CG2 ILE A 32 0.128 -1.657 -6.559 1.00 0.00 C ATOM 439 CD1 ILE A 32 -2.878 -3.823 -7.318 1.00 0.00 C ATOM 0 H ILE A 32 -0.893 -2.008 -10.076 1.00 0.00 H new ATOM 0 HA ILE A 32 1.215 -3.218 -8.465 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.413 -3.719 -6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.360 -1.844 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.191 -2.139 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.360 -1.482 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.183 -1.876 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.035 -0.767 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.927 -3.565 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.574 -4.551 -8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.745 -4.251 -6.324 1.00 0.00 H new ATOM 451 N CYS A 33 0.387 -5.435 -9.224 1.00 0.00 N ATOM 452 CA CYS A 33 -0.035 -6.722 -9.765 1.00 0.00 C ATOM 453 C CYS A 33 0.674 -7.870 -9.054 1.00 0.00 C ATOM 454 O CYS A 33 1.903 -7.938 -9.036 1.00 0.00 O ATOM 455 CB CYS A 33 0.247 -6.785 -11.267 1.00 0.00 C ATOM 456 SG CYS A 33 -1.097 -6.154 -12.298 1.00 0.00 S ATOM 0 H CYS A 33 1.342 -5.421 -8.865 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.108 -6.823 -9.599 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.152 -6.216 -11.480 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.449 -7.820 -11.545 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.766 -5.257 -11.637 1.00 0.00 H new ATOM 462 N CYS A 34 -0.109 -8.768 -8.467 1.00 0.00 N ATOM 463 CA CYS A 34 0.444 -9.913 -7.751 1.00 0.00 C ATOM 464 C CYS A 34 -0.667 -10.830 -7.251 1.00 0.00 C ATOM 465 O CYS A 34 -1.843 -10.615 -7.545 1.00 0.00 O ATOM 466 CB CYS A 34 1.300 -9.440 -6.575 1.00 0.00 C ATOM 467 SG CYS A 34 2.692 -10.528 -6.190 1.00 0.00 S ATOM 0 H CYS A 34 -1.128 -8.726 -8.472 1.00 0.00 H new ATOM 0 HA CYS A 34 1.070 -10.476 -8.444 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.682 -8.443 -6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.667 -9.351 -5.692 1.00 0.00 H new ATOM 0 HG CYS A 34 2.323 -11.409 -5.308 1.00 0.00 H new ATOM 473 N ASP A 35 -0.287 -11.853 -6.494 1.00 0.00 N ATOM 474 CA ASP A 35 -1.251 -12.805 -5.954 1.00 0.00 C ATOM 475 C ASP A 35 -1.143 -12.883 -4.434 1.00 0.00 C ATOM 476 O ASP A 35 -0.046 -12.969 -3.883 1.00 0.00 O ATOM 477 CB ASP A 35 -1.031 -14.190 -6.564 1.00 0.00 C ATOM 478 CG ASP A 35 -0.463 -14.119 -7.968 1.00 0.00 C ATOM 479 OD1 ASP A 35 -1.244 -13.879 -8.912 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.763 -14.306 -8.123 1.00 0.00 O ATOM 0 H ASP A 35 0.682 -12.045 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.251 -12.458 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.353 -14.760 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.978 -14.730 -6.585 1.00 0.00 H new ATOM 485 N SER A 36 -2.290 -12.850 -3.762 1.00 0.00 N ATOM 486 CA SER A 36 -2.324 -12.912 -2.306 1.00 0.00 C ATOM 487 C SER A 36 -1.133 -13.699 -1.767 1.00 0.00 C ATOM 488 O SER A 36 -0.949 -14.879 -2.066 1.00 0.00 O ATOM 489 CB SER A 36 -3.630 -13.554 -1.832 1.00 0.00 C ATOM 490 OG SER A 36 -3.841 -14.806 -2.462 1.00 0.00 O ATOM 0 H SER A 36 -3.207 -12.781 -4.203 1.00 0.00 H new ATOM 0 HA SER A 36 -2.268 -11.893 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.602 -13.688 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.466 -12.889 -2.049 1.00 0.00 H new ATOM 0 HG SER A 36 -2.987 -15.279 -2.545 1.00 0.00 H new ATOM 496 N PRO A 37 -0.304 -13.030 -0.952 1.00 0.00 N ATOM 497 CA PRO A 37 -0.513 -11.625 -0.589 1.00 0.00 C ATOM 498 C PRO A 37 -0.277 -10.682 -1.763 1.00 0.00 C ATOM 499 O PRO A 37 0.500 -10.984 -2.669 1.00 0.00 O ATOM 500 CB PRO A 37 0.527 -11.384 0.508 1.00 0.00 C ATOM 501 CG PRO A 37 1.597 -12.386 0.243 1.00 0.00 C ATOM 502 CD PRO A 37 0.902 -13.594 -0.323 1.00 0.00 C ATOM 0 HA PRO A 37 -1.538 -11.434 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.918 -10.367 0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.095 -11.519 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.333 -11.995 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.132 -12.637 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.528 -14.114 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.650 -14.314 0.455 1.00 0.00 H new ATOM 510 N VAL A 38 -0.952 -9.537 -1.741 1.00 0.00 N ATOM 511 CA VAL A 38 -0.814 -8.548 -2.804 1.00 0.00 C ATOM 512 C VAL A 38 0.400 -7.656 -2.571 1.00 0.00 C ATOM 513 O VAL A 38 0.845 -7.479 -1.436 1.00 0.00 O ATOM 514 CB VAL A 38 -2.072 -7.665 -2.915 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.812 -6.479 -3.831 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.254 -8.484 -3.412 1.00 0.00 C ATOM 0 H VAL A 38 -1.600 -9.271 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.682 -9.100 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.315 -7.282 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.711 -5.867 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.995 -5.881 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.544 -6.838 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.134 -7.845 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.023 -8.897 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.452 -9.297 -2.714 1.00 0.00 H new ATOM 526 N ARG A 39 0.932 -7.095 -3.652 1.00 0.00 N ATOM 527 CA ARG A 39 2.096 -6.221 -3.565 1.00 0.00 C ATOM 528 C ARG A 39 2.023 -5.114 -4.613 1.00 0.00 C ATOM 529 O ARG A 39 1.084 -5.056 -5.407 1.00 0.00 O ATOM 530 CB ARG A 39 3.381 -7.029 -3.749 1.00 0.00 C ATOM 531 CG ARG A 39 3.962 -7.555 -2.447 1.00 0.00 C ATOM 532 CD ARG A 39 5.416 -7.969 -2.612 1.00 0.00 C ATOM 533 NE ARG A 39 5.545 -9.372 -2.997 1.00 0.00 N ATOM 534 CZ ARG A 39 6.633 -9.881 -3.565 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.680 -9.106 -3.813 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.674 -11.168 -3.886 1.00 0.00 N ATOM 0 H ARG A 39 0.576 -7.230 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 39 2.102 -5.762 -2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.179 -7.870 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.125 -6.404 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.887 -6.787 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.376 -8.408 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.888 -7.341 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.950 -7.799 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 39 4.757 -9.995 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.651 -8.116 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.514 -9.500 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.870 -11.767 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.509 -11.558 -4.322 1.00 0.00 H new ATOM 550 N VAL A 40 3.022 -4.237 -4.609 1.00 0.00 N ATOM 551 CA VAL A 40 3.072 -3.132 -5.559 1.00 0.00 C ATOM 552 C VAL A 40 4.125 -3.378 -6.633 1.00 0.00 C ATOM 553 O VAL A 40 5.188 -3.934 -6.358 1.00 0.00 O ATOM 554 CB VAL A 40 3.378 -1.798 -4.853 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.730 -0.723 -5.870 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.197 -1.366 -3.996 1.00 0.00 C ATOM 0 H VAL A 40 3.807 -4.270 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 40 2.089 -3.071 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 40 4.239 -1.942 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.943 0.212 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.608 -1.032 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.891 -0.578 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.430 -0.422 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.317 -1.239 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.997 -2.128 -3.242 1.00 0.00 H new ATOM 566 N GLN A 41 3.822 -2.960 -7.858 1.00 0.00 N ATOM 567 CA GLN A 41 4.743 -3.136 -8.975 1.00 0.00 C ATOM 568 C GLN A 41 5.663 -1.928 -9.117 1.00 0.00 C ATOM 569 O GLN A 41 6.861 -2.012 -8.847 1.00 0.00 O ATOM 570 CB GLN A 41 3.967 -3.358 -10.274 1.00 0.00 C ATOM 571 CG GLN A 41 4.843 -3.780 -11.442 1.00 0.00 C ATOM 572 CD GLN A 41 5.431 -2.598 -12.188 1.00 0.00 C ATOM 573 OE1 GLN A 41 4.758 -1.591 -12.408 1.00 0.00 O ATOM 574 NE2 GLN A 41 6.694 -2.714 -12.581 1.00 0.00 N ATOM 0 H GLN A 41 2.946 -2.497 -8.102 1.00 0.00 H new ATOM 0 HA GLN A 41 5.356 -4.014 -8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.206 -4.121 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.444 -2.438 -10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.652 -4.412 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.255 -4.384 -12.133 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.215 -3.567 -12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.143 -1.950 -13.086 1.00 0.00 H new ATOM 583 N ALA A 42 5.094 -0.805 -9.544 1.00 0.00 N ATOM 584 CA ALA A 42 5.863 0.421 -9.721 1.00 0.00 C ATOM 585 C ALA A 42 4.993 1.652 -9.490 1.00 0.00 C ATOM 586 O ALA A 42 3.765 1.568 -9.502 1.00 0.00 O ATOM 587 CB ALA A 42 6.480 0.461 -11.111 1.00 0.00 C ATOM 0 H ALA A 42 4.104 -0.719 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 42 6.663 0.430 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.051 1.382 -11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.142 -0.396 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.690 0.425 -11.861 1.00 0.00 H new ATOM 593 N VAL A 43 5.638 2.795 -9.280 1.00 0.00 N ATOM 594 CA VAL A 43 4.923 4.044 -9.047 1.00 0.00 C ATOM 595 C VAL A 43 5.241 5.070 -10.129 1.00 0.00 C ATOM 596 O VAL A 43 6.358 5.116 -10.646 1.00 0.00 O ATOM 597 CB VAL A 43 5.271 4.642 -7.670 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.439 5.886 -7.403 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.066 3.607 -6.574 1.00 0.00 C ATOM 0 H VAL A 43 6.654 2.882 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 43 3.859 3.809 -9.075 1.00 0.00 H new ATOM 0 HB VAL A 43 6.322 4.931 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.698 6.294 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.641 6.631 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.381 5.626 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.316 4.046 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.025 3.285 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.710 2.748 -6.760 1.00 0.00 H new ATOM 609 N ASP A 44 4.253 5.891 -10.467 1.00 0.00 N ATOM 610 CA ASP A 44 4.428 6.918 -11.487 1.00 0.00 C ATOM 611 C ASP A 44 5.218 8.102 -10.937 1.00 0.00 C ATOM 612 O ASP A 44 5.063 8.479 -9.776 1.00 0.00 O ATOM 613 CB ASP A 44 3.068 7.393 -12.002 1.00 0.00 C ATOM 614 CG ASP A 44 3.162 8.052 -13.364 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.116 7.742 -14.109 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.282 8.877 -13.685 1.00 0.00 O ATOM 0 H ASP A 44 3.323 5.865 -10.050 1.00 0.00 H new ATOM 0 HA ASP A 44 4.989 6.482 -12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.388 6.543 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.639 8.098 -11.290 1.00 0.00 H new ATOM 621 N SER A 45 6.067 8.682 -11.779 1.00 0.00 N ATOM 622 CA SER A 45 6.886 9.819 -11.376 1.00 0.00 C ATOM 623 C SER A 45 6.065 11.106 -11.372 1.00 0.00 C ATOM 624 O SER A 45 5.297 11.368 -12.296 1.00 0.00 O ATOM 625 CB SER A 45 8.085 9.969 -12.314 1.00 0.00 C ATOM 626 OG SER A 45 7.686 10.479 -13.574 1.00 0.00 O ATOM 0 H SER A 45 6.206 8.383 -12.744 1.00 0.00 H new ATOM 0 HA SER A 45 7.246 9.635 -10.364 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.821 10.636 -11.865 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.570 9.002 -12.447 1.00 0.00 H new ATOM 0 HG SER A 45 8.471 10.567 -14.155 1.00 0.00 H new ATOM 632 N GLY A 46 6.235 11.905 -10.323 1.00 0.00 N ATOM 633 CA GLY A 46 5.504 13.154 -10.217 1.00 0.00 C ATOM 634 C GLY A 46 4.009 12.967 -10.379 1.00 0.00 C ATOM 635 O GLY A 46 3.371 13.662 -11.169 1.00 0.00 O ATOM 0 H GLY A 46 6.865 11.710 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.707 13.609 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.865 13.848 -10.976 1.00 0.00 H new ATOM 639 N GLY A 47 3.447 12.022 -9.630 1.00 0.00 N ATOM 640 CA GLY A 47 2.022 11.761 -9.711 1.00 0.00 C ATOM 641 C GLY A 47 1.343 11.823 -8.357 1.00 0.00 C ATOM 642 O GLY A 47 1.914 12.297 -7.375 1.00 0.00 O ATOM 0 H GLY A 47 3.954 11.433 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.560 12.488 -10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.860 10.777 -10.150 1.00 0.00 H new ATOM 646 N PRO A 48 0.095 11.336 -8.294 1.00 0.00 N ATOM 647 CA PRO A 48 -0.689 11.329 -7.056 1.00 0.00 C ATOM 648 C PRO A 48 -0.146 10.338 -6.032 1.00 0.00 C ATOM 649 O PRO A 48 -0.058 10.645 -4.843 1.00 0.00 O ATOM 650 CB PRO A 48 -2.084 10.905 -7.522 1.00 0.00 C ATOM 651 CG PRO A 48 -1.846 10.129 -8.772 1.00 0.00 C ATOM 652 CD PRO A 48 -0.646 10.756 -9.426 1.00 0.00 C ATOM 0 HA PRO A 48 -0.668 12.297 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.586 10.298 -6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.719 11.771 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.665 9.077 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.715 10.171 -9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.049 10.018 -9.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.935 11.518 -10.150 1.00 0.00 H new ATOM 660 N ALA A 49 0.216 9.148 -6.500 1.00 0.00 N ATOM 661 CA ALA A 49 0.753 8.114 -5.625 1.00 0.00 C ATOM 662 C ALA A 49 2.112 8.520 -5.064 1.00 0.00 C ATOM 663 O ALA A 49 2.309 8.547 -3.850 1.00 0.00 O ATOM 664 CB ALA A 49 0.862 6.794 -6.374 1.00 0.00 C ATOM 0 H ALA A 49 0.147 8.876 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 49 0.067 7.989 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.265 6.030 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.126 6.490 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.525 6.915 -7.230 1.00 0.00 H new ATOM 670 N GLU A 50 3.046 8.834 -5.957 1.00 0.00 N ATOM 671 CA GLU A 50 4.387 9.237 -5.549 1.00 0.00 C ATOM 672 C GLU A 50 4.329 10.411 -4.576 1.00 0.00 C ATOM 673 O GLU A 50 4.701 10.283 -3.410 1.00 0.00 O ATOM 674 CB GLU A 50 5.224 9.614 -6.773 1.00 0.00 C ATOM 675 CG GLU A 50 6.720 9.629 -6.506 1.00 0.00 C ATOM 676 CD GLU A 50 7.477 10.511 -7.480 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.964 11.596 -7.822 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.585 10.114 -7.899 1.00 0.00 O ATOM 0 H GLU A 50 2.899 8.817 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 50 4.856 8.392 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.014 8.909 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.916 10.599 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.900 9.978 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.106 8.612 -6.567 1.00 0.00 H new ATOM 685 N ARG A 51 3.862 11.555 -5.066 1.00 0.00 N ATOM 686 CA ARG A 51 3.757 12.752 -4.241 1.00 0.00 C ATOM 687 C ARG A 51 3.227 12.412 -2.852 1.00 0.00 C ATOM 688 O ARG A 51 3.746 12.890 -1.844 1.00 0.00 O ATOM 689 CB ARG A 51 2.842 13.780 -4.910 1.00 0.00 C ATOM 690 CG ARG A 51 3.477 14.475 -6.104 1.00 0.00 C ATOM 691 CD ARG A 51 2.678 15.698 -6.525 1.00 0.00 C ATOM 692 NE ARG A 51 3.425 16.548 -7.449 1.00 0.00 N ATOM 693 CZ ARG A 51 4.313 17.455 -7.058 1.00 0.00 C ATOM 694 NH1 ARG A 51 4.564 17.630 -5.768 1.00 0.00 N ATOM 695 NH2 ARG A 51 4.953 18.190 -7.959 1.00 0.00 N ATOM 0 H ARG A 51 3.551 11.678 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 51 4.755 13.177 -4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.927 13.283 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.554 14.531 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.495 14.772 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.544 13.778 -6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.748 15.379 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.406 16.275 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 51 3.255 16.439 -8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.075 17.067 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.247 18.327 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.763 18.059 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.635 18.886 -7.658 1.00 0.00 H new ATOM 709 N ALA A 52 2.189 11.582 -2.807 1.00 0.00 N ATOM 710 CA ALA A 52 1.590 11.176 -1.542 1.00 0.00 C ATOM 711 C ALA A 52 2.607 10.466 -0.655 1.00 0.00 C ATOM 712 O ALA A 52 2.592 10.616 0.566 1.00 0.00 O ATOM 713 CB ALA A 52 0.387 10.278 -1.792 1.00 0.00 C ATOM 0 H ALA A 52 1.746 11.178 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 52 1.258 12.074 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.051 9.982 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.355 10.819 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.704 9.389 -2.337 1.00 0.00 H new ATOM 719 N GLY A 53 3.490 9.692 -1.278 1.00 0.00 N ATOM 720 CA GLY A 53 4.502 8.969 -0.529 1.00 0.00 C ATOM 721 C GLY A 53 4.362 7.466 -0.666 1.00 0.00 C ATOM 722 O GLY A 53 4.494 6.731 0.313 1.00 0.00 O ATOM 0 H GLY A 53 3.523 9.552 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.491 9.272 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.435 9.242 0.524 1.00 0.00 H new ATOM 726 N LEU A 54 4.091 7.007 -1.883 1.00 0.00 N ATOM 727 CA LEU A 54 3.931 5.581 -2.145 1.00 0.00 C ATOM 728 C LEU A 54 5.206 4.990 -2.739 1.00 0.00 C ATOM 729 O LEU A 54 5.651 5.402 -3.810 1.00 0.00 O ATOM 730 CB LEU A 54 2.755 5.346 -3.095 1.00 0.00 C ATOM 731 CG LEU A 54 2.183 3.928 -3.116 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.708 3.954 -3.487 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.963 3.052 -4.084 1.00 0.00 C ATOM 0 H LEU A 54 3.977 7.602 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 54 3.729 5.083 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.954 6.035 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.073 5.603 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 54 2.278 3.503 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.317 2.936 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.159 4.546 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.589 4.398 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.542 2.047 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.900 3.473 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.007 3.007 -3.774 1.00 0.00 H new ATOM 745 N GLN A 55 5.786 4.022 -2.037 1.00 0.00 N ATOM 746 CA GLN A 55 7.008 3.374 -2.497 1.00 0.00 C ATOM 747 C GLN A 55 6.734 1.935 -2.924 1.00 0.00 C ATOM 748 O GLN A 55 6.243 1.128 -2.136 1.00 0.00 O ATOM 749 CB GLN A 55 8.069 3.397 -1.394 1.00 0.00 C ATOM 750 CG GLN A 55 9.405 2.813 -1.823 1.00 0.00 C ATOM 751 CD GLN A 55 10.376 2.668 -0.668 1.00 0.00 C ATOM 752 OE1 GLN A 55 11.455 3.262 -0.670 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.997 1.876 0.328 1.00 0.00 N ATOM 0 H GLN A 55 5.430 3.670 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 55 7.379 3.926 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.220 4.426 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.698 2.841 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.241 1.837 -2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.848 3.452 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.094 1.403 0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.609 1.740 1.133 1.00 0.00 H new ATOM 762 N GLN A 56 7.055 1.623 -4.175 1.00 0.00 N ATOM 763 CA GLN A 56 6.842 0.282 -4.706 1.00 0.00 C ATOM 764 C GLN A 56 7.544 -0.762 -3.845 1.00 0.00 C ATOM 765 O GLN A 56 8.269 -0.425 -2.908 1.00 0.00 O ATOM 766 CB GLN A 56 7.348 0.195 -6.147 1.00 0.00 C ATOM 767 CG GLN A 56 8.810 0.580 -6.303 1.00 0.00 C ATOM 768 CD GLN A 56 9.287 0.494 -7.740 1.00 0.00 C ATOM 769 OE1 GLN A 56 9.293 1.489 -8.464 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.690 -0.700 -8.160 1.00 0.00 N ATOM 0 H GLN A 56 7.463 2.280 -4.840 1.00 0.00 H new ATOM 0 HA GLN A 56 5.771 0.079 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.208 -0.823 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.741 0.845 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.955 1.596 -5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.422 -0.074 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.668 -1.498 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.021 -0.819 -9.117 1.00 0.00 H new ATOM 779 N LEU A 57 7.323 -2.032 -4.167 1.00 0.00 N ATOM 780 CA LEU A 57 7.934 -3.127 -3.422 1.00 0.00 C ATOM 781 C LEU A 57 7.378 -3.198 -2.003 1.00 0.00 C ATOM 782 O LEU A 57 8.114 -3.451 -1.049 1.00 0.00 O ATOM 783 CB LEU A 57 9.454 -2.955 -3.378 1.00 0.00 C ATOM 784 CG LEU A 57 10.143 -2.728 -4.724 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.468 -2.008 -4.531 1.00 0.00 C ATOM 786 CD2 LEU A 57 10.353 -4.052 -5.445 1.00 0.00 C ATOM 0 H LEU A 57 6.726 -2.329 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 57 7.694 -4.059 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.685 -2.112 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.887 -3.842 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 57 9.499 -2.100 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.944 -1.855 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.292 -1.042 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.120 -2.609 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.844 -3.872 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.977 -4.704 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.388 -4.529 -5.617 1.00 0.00 H new ATOM 798 N ASP A 58 6.075 -2.976 -1.873 1.00 0.00 N ATOM 799 CA ASP A 58 5.419 -3.018 -0.571 1.00 0.00 C ATOM 800 C ASP A 58 4.233 -3.978 -0.591 1.00 0.00 C ATOM 801 O ASP A 58 3.689 -4.290 -1.651 1.00 0.00 O ATOM 802 CB ASP A 58 4.951 -1.619 -0.167 1.00 0.00 C ATOM 803 CG ASP A 58 3.766 -1.146 -0.985 1.00 0.00 C ATOM 804 OD1 ASP A 58 2.768 -1.893 -1.072 1.00 0.00 O ATOM 805 OD2 ASP A 58 3.835 -0.028 -1.537 1.00 0.00 O ATOM 0 H ASP A 58 5.452 -2.765 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 58 6.142 -3.377 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.682 -1.620 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.775 -0.915 -0.286 1.00 0.00 H new ATOM 810 N THR A 59 3.837 -4.446 0.589 1.00 0.00 N ATOM 811 CA THR A 59 2.718 -5.372 0.707 1.00 0.00 C ATOM 812 C THR A 59 1.467 -4.662 1.211 1.00 0.00 C ATOM 813 O THR A 59 1.502 -3.967 2.227 1.00 0.00 O ATOM 814 CB THR A 59 3.051 -6.537 1.659 1.00 0.00 C ATOM 815 OG1 THR A 59 4.225 -7.220 1.204 1.00 0.00 O ATOM 816 CG2 THR A 59 1.890 -7.515 1.744 1.00 0.00 C ATOM 0 H THR A 59 4.275 -4.199 1.476 1.00 0.00 H new ATOM 0 HA THR A 59 2.530 -5.769 -0.291 1.00 0.00 H new ATOM 0 HB THR A 59 3.232 -6.126 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.432 -7.958 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.149 -8.329 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.006 -6.999 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.682 -7.920 0.754 1.00 0.00 H new ATOM 824 N VAL A 60 0.362 -4.840 0.495 1.00 0.00 N ATOM 825 CA VAL A 60 -0.902 -4.217 0.871 1.00 0.00 C ATOM 826 C VAL A 60 -1.479 -4.859 2.128 1.00 0.00 C ATOM 827 O VAL A 60 -1.883 -6.023 2.114 1.00 0.00 O ATOM 828 CB VAL A 60 -1.937 -4.318 -0.265 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.193 -3.534 0.085 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.340 -3.827 -1.575 1.00 0.00 C ATOM 0 H VAL A 60 0.316 -5.411 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.691 -3.166 1.068 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.214 -5.365 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.913 -3.617 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.631 -3.937 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.937 -2.486 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.085 -3.906 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.033 -2.787 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.473 -4.436 -1.831 1.00 0.00 H new ATOM 840 N LEU A 61 -1.514 -4.094 3.213 1.00 0.00 N ATOM 841 CA LEU A 61 -2.042 -4.587 4.480 1.00 0.00 C ATOM 842 C LEU A 61 -3.565 -4.660 4.444 1.00 0.00 C ATOM 843 O LEU A 61 -4.145 -5.745 4.494 1.00 0.00 O ATOM 844 CB LEU A 61 -1.591 -3.685 5.629 1.00 0.00 C ATOM 845 CG LEU A 61 -0.096 -3.706 5.953 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.189 -2.901 7.211 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.394 -5.138 6.111 1.00 0.00 C ATOM 0 H LEU A 61 -1.183 -3.130 3.241 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.652 -5.592 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.877 -2.660 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.141 -3.971 6.526 1.00 0.00 H new ATOM 0 HG LEU A 61 0.443 -3.248 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.257 -2.927 7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.126 -1.868 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.360 -3.329 8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.459 -5.135 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.151 -5.622 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.225 -5.685 5.183 1.00 0.00 H new ATOM 859 N GLN A 62 -4.206 -3.500 4.353 1.00 0.00 N ATOM 860 CA GLN A 62 -5.662 -3.433 4.308 1.00 0.00 C ATOM 861 C GLN A 62 -6.127 -2.217 3.514 1.00 0.00 C ATOM 862 O GLN A 62 -5.457 -1.183 3.492 1.00 0.00 O ATOM 863 CB GLN A 62 -6.235 -3.381 5.726 1.00 0.00 C ATOM 864 CG GLN A 62 -5.777 -2.170 6.523 1.00 0.00 C ATOM 865 CD GLN A 62 -6.095 -2.290 8.000 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.227 -2.094 8.852 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.344 -2.613 8.313 1.00 0.00 N ATOM 0 H GLN A 62 -3.740 -2.594 4.309 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.027 -4.331 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.324 -3.378 5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.946 -4.287 6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.702 -2.041 6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.255 -1.275 6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.031 -2.766 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.616 -2.708 9.291 1.00 0.00 H new ATOM 876 N LEU A 63 -7.277 -2.346 2.863 1.00 0.00 N ATOM 877 CA LEU A 63 -7.832 -1.258 2.066 1.00 0.00 C ATOM 878 C LEU A 63 -9.271 -0.961 2.476 1.00 0.00 C ATOM 879 O LEU A 63 -10.055 -1.875 2.730 1.00 0.00 O ATOM 880 CB LEU A 63 -7.776 -1.608 0.578 1.00 0.00 C ATOM 881 CG LEU A 63 -8.577 -0.700 -0.356 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.727 0.472 -0.820 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.098 -1.489 -1.549 1.00 0.00 C ATOM 0 H LEU A 63 -7.844 -3.194 2.871 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.231 -0.367 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.733 -1.593 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.133 -2.630 0.452 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.431 -0.307 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.314 1.107 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.404 1.052 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.853 0.099 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.666 -0.827 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.258 -1.911 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.744 -2.294 -1.199 1.00 0.00 H new ATOM 895 N ASN A 64 -9.611 0.322 2.538 1.00 0.00 N ATOM 896 CA ASN A 64 -10.957 0.739 2.916 1.00 0.00 C ATOM 897 C ASN A 64 -11.382 0.083 4.226 1.00 0.00 C ATOM 898 O ASN A 64 -12.536 -0.312 4.387 1.00 0.00 O ATOM 899 CB ASN A 64 -11.952 0.387 1.809 1.00 0.00 C ATOM 900 CG ASN A 64 -11.479 0.837 0.440 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.817 0.231 -0.576 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.691 1.906 0.409 1.00 0.00 N ATOM 0 H ASN A 64 -8.974 1.091 2.332 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.950 1.820 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.113 -0.691 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.914 0.850 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.341 2.256 -0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.436 2.377 1.277 1.00 0.00 H new ATOM 909 N GLU A 65 -10.441 -0.030 5.158 1.00 0.00 N ATOM 910 CA GLU A 65 -10.718 -0.639 6.453 1.00 0.00 C ATOM 911 C GLU A 65 -11.074 -2.115 6.295 1.00 0.00 C ATOM 912 O GLU A 65 -11.831 -2.671 7.092 1.00 0.00 O ATOM 913 CB GLU A 65 -11.860 0.099 7.154 1.00 0.00 C ATOM 914 CG GLU A 65 -11.583 1.577 7.377 1.00 0.00 C ATOM 915 CD GLU A 65 -12.511 2.196 8.403 1.00 0.00 C ATOM 916 OE1 GLU A 65 -12.937 1.475 9.329 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.812 3.402 8.281 1.00 0.00 O ATOM 0 H GLU A 65 -9.480 0.292 5.040 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.817 -0.563 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.768 -0.006 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.051 -0.376 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.551 1.704 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.687 2.109 6.431 1.00 0.00 H new ATOM 924 N ARG A 66 -10.523 -2.743 5.262 1.00 0.00 N ATOM 925 CA ARG A 66 -10.783 -4.153 4.998 1.00 0.00 C ATOM 926 C ARG A 66 -9.478 -4.916 4.785 1.00 0.00 C ATOM 927 O ARG A 66 -8.533 -4.418 4.173 1.00 0.00 O ATOM 928 CB ARG A 66 -11.683 -4.307 3.771 1.00 0.00 C ATOM 929 CG ARG A 66 -13.126 -3.901 4.020 1.00 0.00 C ATOM 930 CD ARG A 66 -13.974 -4.064 2.768 1.00 0.00 C ATOM 931 NE ARG A 66 -13.980 -2.854 1.950 1.00 0.00 N ATOM 932 CZ ARG A 66 -14.798 -1.829 2.159 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.671 -1.866 3.156 1.00 0.00 N ATOM 934 NH2 ARG A 66 -14.742 -0.763 1.371 1.00 0.00 N ATOM 0 H ARG A 66 -9.894 -2.298 4.594 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.291 -4.572 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.280 -3.704 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.658 -5.345 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.542 -4.508 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.161 -2.863 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.594 -4.898 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.996 -4.314 3.052 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.319 -2.793 1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.716 -2.683 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.298 -1.077 3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.070 -0.730 0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.371 0.024 1.532 1.00 0.00 H new ATOM 948 N PRO A 67 -9.424 -6.153 5.301 1.00 0.00 N ATOM 949 CA PRO A 67 -8.241 -7.010 5.179 1.00 0.00 C ATOM 950 C PRO A 67 -8.019 -7.491 3.749 1.00 0.00 C ATOM 951 O PRO A 67 -8.875 -8.157 3.167 1.00 0.00 O ATOM 952 CB PRO A 67 -8.564 -8.192 6.096 1.00 0.00 C ATOM 953 CG PRO A 67 -10.052 -8.237 6.147 1.00 0.00 C ATOM 954 CD PRO A 67 -10.514 -6.810 6.042 1.00 0.00 C ATOM 0 HA PRO A 67 -7.326 -6.482 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.153 -9.122 5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.138 -8.050 7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.452 -8.838 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.397 -8.691 7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.464 -6.733 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.660 -6.361 7.025 1.00 0.00 H new ATOM 962 N VAL A 68 -6.862 -7.151 3.188 1.00 0.00 N ATOM 963 CA VAL A 68 -6.526 -7.549 1.827 1.00 0.00 C ATOM 964 C VAL A 68 -5.203 -8.304 1.786 1.00 0.00 C ATOM 965 O VAL A 68 -4.587 -8.439 0.729 1.00 0.00 O ATOM 966 CB VAL A 68 -6.438 -6.329 0.890 1.00 0.00 C ATOM 967 CG1 VAL A 68 -7.669 -5.449 1.043 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.169 -5.538 1.166 1.00 0.00 C ATOM 0 H VAL A 68 -6.142 -6.601 3.656 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.326 -8.205 1.483 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.401 -6.684 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.589 -4.592 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.561 -6.024 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.741 -5.099 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.122 -4.680 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.174 -5.192 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.300 -6.175 1.001 1.00 0.00 H new ATOM 978 N GLU A 69 -4.771 -8.794 2.944 1.00 0.00 N ATOM 979 CA GLU A 69 -3.519 -9.536 3.040 1.00 0.00 C ATOM 980 C GLU A 69 -3.598 -10.841 2.253 1.00 0.00 C ATOM 981 O GLU A 69 -2.579 -11.387 1.831 1.00 0.00 O ATOM 982 CB GLU A 69 -3.186 -9.830 4.504 1.00 0.00 C ATOM 983 CG GLU A 69 -2.513 -8.670 5.220 1.00 0.00 C ATOM 984 CD GLU A 69 -2.022 -9.045 6.604 1.00 0.00 C ATOM 985 OE1 GLU A 69 -1.461 -10.150 6.757 1.00 0.00 O ATOM 986 OE2 GLU A 69 -2.199 -8.232 7.536 1.00 0.00 O ATOM 0 H GLU A 69 -5.269 -8.691 3.828 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.728 -8.921 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.104 -10.088 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.535 -10.703 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.672 -8.318 4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.216 -7.841 5.300 1.00 0.00 H new ATOM 993 N HIS A 70 -4.817 -11.336 2.061 1.00 0.00 N ATOM 994 CA HIS A 70 -5.030 -12.577 1.325 1.00 0.00 C ATOM 995 C HIS A 70 -5.882 -12.333 0.083 1.00 0.00 C ATOM 996 O HIS A 70 -6.624 -13.212 -0.356 1.00 0.00 O ATOM 997 CB HIS A 70 -5.703 -13.618 2.222 1.00 0.00 C ATOM 998 CG HIS A 70 -4.796 -14.178 3.274 1.00 0.00 C ATOM 999 ND1 HIS A 70 -4.914 -15.461 3.764 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -3.749 -13.621 3.928 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -3.981 -15.669 4.676 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -3.260 -14.568 4.794 1.00 0.00 N ATOM 0 H HIS A 70 -5.671 -10.897 2.405 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.057 -12.954 1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.569 -13.165 2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.074 -14.434 1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.369 -12.619 3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.833 -16.584 5.231 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.469 -14.442 5.426 1.00 0.00 H new ATOM 1011 N TRP A 71 -5.770 -11.135 -0.479 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.530 -10.775 -1.670 1.00 0.00 C ATOM 1013 C TRP A 71 -5.678 -10.924 -2.926 1.00 0.00 C ATOM 1014 O TRP A 71 -4.457 -10.770 -2.881 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.046 -9.340 -1.557 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.168 -9.187 -0.574 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.502 -10.053 0.428 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.103 -8.106 -0.502 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -9.589 -9.574 1.119 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -9.976 -8.381 0.569 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.286 -6.931 -1.236 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.015 -7.524 0.920 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.318 -6.081 -0.886 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.172 -6.380 0.184 1.00 0.00 C ATOM 0 H TRP A 71 -5.160 -10.396 -0.129 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.379 -11.454 -1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.224 -8.688 -1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.384 -9.005 -2.538 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.988 -10.978 0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.035 -10.033 1.913 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.633 -6.691 -2.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.674 -7.753 1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.469 -5.170 -1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.969 -5.695 0.433 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.328 -11.225 -4.045 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.630 -11.393 -5.314 1.00 0.00 C ATOM 1037 C LYS A 72 -5.768 -10.146 -6.181 1.00 0.00 C ATOM 1038 O LYS A 72 -6.756 -9.417 -6.083 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.177 -12.611 -6.062 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.855 -13.934 -5.390 1.00 0.00 C ATOM 1041 CD LYS A 72 -4.555 -14.523 -5.914 1.00 0.00 C ATOM 1042 CE LYS A 72 -4.754 -15.201 -7.261 1.00 0.00 C ATOM 1043 NZ LYS A 72 -3.810 -16.337 -7.454 1.00 0.00 N ATOM 0 H LYS A 72 -7.338 -11.358 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.573 -11.549 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.259 -12.514 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.770 -12.618 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.781 -13.787 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.670 -14.638 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.809 -13.734 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.166 -15.245 -5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.779 -15.563 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.613 -14.472 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.162 -16.121 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.261 -16.484 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.346 -17.200 -7.676 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.773 -9.907 -7.028 1.00 0.00 N ATOM 1058 CA CYS A 73 -4.784 -8.747 -7.913 1.00 0.00 C ATOM 1059 C CYS A 73 -6.205 -8.418 -8.359 1.00 0.00 C ATOM 1060 O CYS A 73 -6.637 -7.267 -8.293 1.00 0.00 O ATOM 1061 CB CYS A 73 -3.899 -9.003 -9.133 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.382 -10.449 -10.106 1.00 0.00 S ATOM 0 H CYS A 73 -3.949 -10.501 -7.121 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.390 -7.894 -7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.921 -8.123 -9.775 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.869 -9.130 -8.801 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.575 -10.581 -11.117 1.00 0.00 H new ATOM 1068 N VAL A 74 -6.927 -9.436 -8.816 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.299 -9.255 -9.274 1.00 0.00 C ATOM 1070 C VAL A 74 -9.204 -8.800 -8.134 1.00 0.00 C ATOM 1071 O VAL A 74 -9.779 -7.714 -8.182 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.866 -10.554 -9.878 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -10.308 -10.355 -10.317 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.005 -11.020 -11.042 1.00 0.00 C ATOM 0 H VAL A 74 -6.584 -10.395 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.276 -8.485 -10.045 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.849 -11.328 -9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.691 -11.283 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.914 -10.072 -9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.354 -9.567 -11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.420 -11.939 -11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.987 -10.250 -11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.990 -11.206 -10.692 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.325 -9.640 -7.111 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.160 -9.324 -5.959 1.00 0.00 C ATOM 1086 C GLU A 75 -9.937 -7.884 -5.503 1.00 0.00 C ATOM 1087 O GLU A 75 -10.890 -7.137 -5.280 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.865 -10.286 -4.806 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.537 -11.640 -4.957 1.00 0.00 C ATOM 1090 CD GLU A 75 -9.899 -12.708 -4.089 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -9.272 -12.347 -3.071 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -10.028 -13.903 -4.426 1.00 0.00 O ATOM 0 H GLU A 75 -8.856 -10.544 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.202 -9.436 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.787 -10.431 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.191 -9.830 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.592 -11.549 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.491 -11.950 -6.001 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.672 -7.503 -5.367 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.322 -6.153 -4.938 1.00 0.00 C ATOM 1101 C LEU A 76 -8.796 -5.119 -5.954 1.00 0.00 C ATOM 1102 O LEU A 76 -9.707 -4.338 -5.681 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.809 -6.036 -4.741 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.294 -4.664 -4.303 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -6.964 -4.231 -3.008 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -4.781 -4.690 -4.140 1.00 0.00 C ATOM 0 H LEU A 76 -7.872 -8.109 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.822 -5.958 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.501 -6.772 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.319 -6.304 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.544 -3.939 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.585 -3.253 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.042 -4.173 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.746 -4.957 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.432 -3.706 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.509 -5.428 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.317 -4.955 -5.090 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.171 -5.120 -7.127 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.532 -4.185 -8.185 1.00 0.00 C ATOM 1120 C ALA A 77 -10.028 -3.889 -8.171 1.00 0.00 C ATOM 1121 O ALA A 77 -10.455 -2.779 -8.491 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.114 -4.735 -9.541 1.00 0.00 C ATOM 0 H ALA A 77 -7.412 -5.758 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.002 -3.250 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.390 -4.026 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.035 -4.888 -9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.617 -5.685 -9.719 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.820 -4.889 -7.798 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.270 -4.736 -7.742 1.00 0.00 C ATOM 1130 C HIS A 78 -12.663 -3.648 -6.746 1.00 0.00 C ATOM 1131 O HIS A 78 -13.448 -2.756 -7.066 1.00 0.00 O ATOM 1132 CB HIS A 78 -12.929 -6.060 -7.355 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.372 -6.147 -7.746 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -14.949 -7.297 -8.244 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.357 -5.220 -7.709 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.226 -7.072 -8.498 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.499 -5.819 -8.181 1.00 0.00 N ATOM 0 H HIS A 78 -10.483 -5.814 -7.530 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.618 -4.441 -8.732 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.384 -6.879 -7.825 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.844 -6.197 -6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.263 -4.199 -7.371 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -16.927 -7.790 -8.897 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.410 -5.369 -8.272 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.113 -3.731 -5.539 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.408 -2.754 -4.497 1.00 0.00 C ATOM 1148 C GLU A 79 -11.904 -1.369 -4.892 1.00 0.00 C ATOM 1149 O GLU A 79 -12.674 -0.409 -4.947 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.774 -3.181 -3.172 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.646 -4.119 -2.354 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.080 -3.635 -2.245 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.326 -2.677 -1.484 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.954 -4.216 -2.921 1.00 0.00 O ATOM 0 H GLU A 79 -11.461 -4.464 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.490 -2.707 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.821 -3.670 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.556 -2.292 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.634 -5.109 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.224 -4.222 -1.354 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.607 -1.273 -5.164 1.00 0.00 N ATOM 1162 CA ILE A 80 -10.000 -0.006 -5.554 1.00 0.00 C ATOM 1163 C ILE A 80 -10.889 0.750 -6.536 1.00 0.00 C ATOM 1164 O ILE A 80 -10.854 1.979 -6.601 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.614 -0.218 -6.191 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.609 -0.682 -5.135 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -8.137 1.063 -6.858 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.188 -0.762 -5.647 1.00 0.00 C ATOM 0 H ILE A 80 -9.956 -2.057 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.886 0.583 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.695 -0.993 -6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.643 0.002 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.909 -1.663 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.156 0.898 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.844 1.354 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.068 1.857 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.531 -1.097 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.139 -1.468 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.869 0.222 -5.990 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.686 0.007 -7.297 1.00 0.00 N ATOM 1181 CA ARG A 81 -12.584 0.607 -8.276 1.00 0.00 C ATOM 1182 C ARG A 81 -13.849 1.132 -7.603 1.00 0.00 C ATOM 1183 O ARG A 81 -14.391 2.164 -7.997 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.953 -0.414 -9.354 1.00 0.00 C ATOM 1185 CG ARG A 81 -11.840 -0.670 -10.357 1.00 0.00 C ATOM 1186 CD ARG A 81 -11.927 0.279 -11.541 1.00 0.00 C ATOM 1187 NE ARG A 81 -10.876 0.027 -12.523 1.00 0.00 N ATOM 1188 CZ ARG A 81 -10.880 0.536 -13.751 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -11.873 1.321 -14.144 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -9.887 0.261 -14.587 1.00 0.00 N ATOM 0 H ARG A 81 -11.728 -1.011 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.066 1.445 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.222 -1.355 -8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.837 -0.064 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.873 -0.554 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -11.897 -1.700 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.901 0.175 -12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.854 1.307 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.096 -0.572 -12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.637 1.536 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.873 1.710 -15.087 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.120 -0.341 -14.287 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.891 0.652 -15.529 1.00 0.00 H new ATOM 1204 N SER A 82 -14.314 0.413 -6.586 1.00 0.00 N ATOM 1205 CA SER A 82 -15.518 0.803 -5.861 1.00 0.00 C ATOM 1206 C SER A 82 -15.591 2.319 -5.707 1.00 0.00 C ATOM 1207 O SER A 82 -16.669 2.910 -5.785 1.00 0.00 O ATOM 1208 CB SER A 82 -15.547 0.137 -4.484 1.00 0.00 C ATOM 1209 OG SER A 82 -15.894 -1.233 -4.588 1.00 0.00 O ATOM 0 H SER A 82 -13.875 -0.443 -6.246 1.00 0.00 H new ATOM 0 HA SER A 82 -16.383 0.471 -6.435 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.571 0.233 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.265 0.650 -3.843 1.00 0.00 H new ATOM 0 HG SER A 82 -15.904 -1.637 -3.695 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.439 2.942 -5.489 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.371 4.389 -5.323 1.00 0.00 C ATOM 1217 C CYS A 83 -13.519 5.023 -6.418 1.00 0.00 C ATOM 1218 O CYS A 83 -12.289 5.015 -6.364 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.800 4.740 -3.948 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.015 4.695 -2.610 1.00 0.00 S ATOM 0 H CYS A 83 -13.539 2.467 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.383 4.786 -5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.992 4.046 -3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.361 5.737 -3.992 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.436 5.004 -1.488 1.00 0.00 H new ATOM 1226 N PRO A 84 -14.186 5.584 -7.437 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.510 6.231 -8.565 1.00 0.00 C ATOM 1228 C PRO A 84 -12.831 7.536 -8.162 1.00 0.00 C ATOM 1229 O PRO A 84 -11.973 8.048 -8.881 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.648 6.503 -9.552 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.872 6.586 -8.706 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.652 5.630 -7.566 1.00 0.00 C ATOM 0 HA PRO A 84 -12.713 5.610 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.483 7.430 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.731 5.706 -10.290 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.026 7.601 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.760 6.315 -9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.125 5.982 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.067 4.646 -7.781 1.00 0.00 H new ATOM 1240 N SER A 85 -13.221 8.069 -7.009 1.00 0.00 N ATOM 1241 CA SER A 85 -12.652 9.317 -6.513 1.00 0.00 C ATOM 1242 C SER A 85 -11.301 9.071 -5.848 1.00 0.00 C ATOM 1243 O SER A 85 -10.254 9.374 -6.418 1.00 0.00 O ATOM 1244 CB SER A 85 -13.609 9.979 -5.519 1.00 0.00 C ATOM 1245 OG SER A 85 -14.012 9.065 -4.514 1.00 0.00 O ATOM 0 H SER A 85 -13.928 7.657 -6.401 1.00 0.00 H new ATOM 0 HA SER A 85 -12.504 9.983 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.123 10.839 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.486 10.353 -6.047 1.00 0.00 H new ATOM 0 HG SER A 85 -14.622 9.512 -3.890 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.335 8.520 -4.639 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.113 8.235 -3.896 1.00 0.00 C ATOM 1253 C GLU A 86 -10.266 6.964 -3.065 1.00 0.00 C ATOM 1254 O GLU A 86 -11.375 6.586 -2.688 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.756 9.412 -2.985 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.893 10.464 -3.661 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.099 11.849 -3.079 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.256 12.190 -2.757 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -8.104 12.592 -2.947 1.00 0.00 O ATOM 0 H GLU A 86 -12.194 8.262 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.308 8.085 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.675 9.880 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.233 9.035 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.844 10.185 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.120 10.484 -4.727 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.144 6.308 -2.786 1.00 0.00 N ATOM 1267 CA ILE A 87 -9.153 5.081 -2.001 1.00 0.00 C ATOM 1268 C ILE A 87 -8.022 5.074 -0.978 1.00 0.00 C ATOM 1269 O ILE A 87 -7.013 5.760 -1.149 1.00 0.00 O ATOM 1270 CB ILE A 87 -9.025 3.836 -2.899 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.574 3.654 -3.351 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.949 3.954 -4.102 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.983 4.888 -3.996 1.00 0.00 C ATOM 0 H ILE A 87 -8.218 6.606 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.110 5.047 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.320 2.959 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.966 3.377 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.523 2.825 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.847 3.067 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.981 4.042 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.682 4.838 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.953 4.687 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.568 5.154 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.002 5.714 -3.285 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.195 4.293 0.083 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.187 4.195 1.131 1.00 0.00 C ATOM 1287 C ILE A 88 -6.536 2.816 1.140 1.00 0.00 C ATOM 1288 O ILE A 88 -7.160 1.825 1.522 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.791 4.474 2.521 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.270 5.925 2.610 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.771 4.179 3.610 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.100 6.212 3.842 1.00 0.00 C ATOM 0 H ILE A 88 -9.024 3.719 0.239 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.431 4.950 0.914 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.649 3.818 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.404 6.586 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.858 6.160 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.212 4.381 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.473 3.132 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.895 4.813 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.405 7.258 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.985 5.576 3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.509 6.009 4.735 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.277 2.760 0.720 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.539 1.502 0.681 1.00 0.00 C ATOM 1306 C LEU A 89 -3.409 1.502 1.706 1.00 0.00 C ATOM 1307 O LEU A 89 -2.412 2.208 1.547 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.972 1.264 -0.720 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.343 2.478 -1.405 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.218 2.045 -2.332 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -4.397 3.262 -2.173 1.00 0.00 C ATOM 0 H LEU A 89 -4.746 3.571 0.402 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.230 0.696 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.220 0.477 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.774 0.888 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.923 3.127 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.783 2.922 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.451 1.528 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.613 1.374 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.932 4.122 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.846 2.621 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.169 3.605 -1.484 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.571 0.705 2.756 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.564 0.611 3.807 1.00 0.00 C ATOM 1325 C LEU A 90 -1.462 -0.371 3.419 1.00 0.00 C ATOM 1326 O LEU A 90 -1.738 -1.480 2.961 1.00 0.00 O ATOM 1327 CB LEU A 90 -3.210 0.175 5.123 1.00 0.00 C ATOM 1328 CG LEU A 90 -2.252 -0.102 6.282 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.570 1.181 6.730 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.994 -0.747 7.444 1.00 0.00 C ATOM 0 H LEU A 90 -4.390 0.115 2.902 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.118 1.597 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.911 0.950 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.793 -0.727 4.937 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.485 -0.795 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.892 0.964 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.005 1.603 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.323 1.898 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.297 -0.937 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.782 -0.078 7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.435 -1.689 7.116 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.213 0.044 3.608 1.00 0.00 N ATOM 1343 CA VAL A 91 0.930 -0.799 3.281 1.00 0.00 C ATOM 1344 C VAL A 91 1.914 -0.865 4.443 1.00 0.00 C ATOM 1345 O VAL A 91 1.849 -0.060 5.371 1.00 0.00 O ATOM 1346 CB VAL A 91 1.665 -0.287 2.028 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.714 -0.214 0.843 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.298 1.069 2.299 1.00 0.00 C ATOM 0 H VAL A 91 0.032 0.959 3.986 1.00 0.00 H new ATOM 0 HA VAL A 91 0.540 -1.797 3.082 1.00 0.00 H new ATOM 0 HB VAL A 91 2.460 -0.991 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.251 0.150 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.313 -1.206 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.105 0.467 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.813 1.416 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.522 1.785 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.013 0.980 3.117 1.00 0.00 H new ATOM 1358 N TRP A 92 2.826 -1.829 4.384 1.00 0.00 N ATOM 1359 CA TRP A 92 3.826 -2.000 5.432 1.00 0.00 C ATOM 1360 C TRP A 92 5.220 -1.660 4.916 1.00 0.00 C ATOM 1361 O TRP A 92 5.599 -2.061 3.816 1.00 0.00 O ATOM 1362 CB TRP A 92 3.801 -3.435 5.961 1.00 0.00 C ATOM 1363 CG TRP A 92 4.985 -3.775 6.814 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.181 -4.280 6.391 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.086 -3.635 8.235 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.020 -4.464 7.464 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.372 -4.075 8.607 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.216 -3.181 9.230 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 6.805 -4.073 9.930 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.648 -3.179 10.543 1.00 0.00 C ATOM 1371 CH2 TRP A 92 5.933 -3.622 10.883 1.00 0.00 C ATOM 0 H TRP A 92 2.894 -2.504 3.622 1.00 0.00 H new ATOM 0 HA TRP A 92 3.583 -1.316 6.245 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.890 -3.585 6.540 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.760 -4.125 5.118 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.431 -4.502 5.364 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.971 -4.831 7.417 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.224 -2.838 8.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.794 -4.415 10.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.984 -2.830 11.320 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.241 -3.607 11.918 1.00 0.00 H new ATOM 1382 N ARG A 93 5.978 -0.919 5.717 1.00 0.00 N ATOM 1383 CA ARG A 93 7.330 -0.524 5.339 1.00 0.00 C ATOM 1384 C ARG A 93 8.350 -1.044 6.348 1.00 0.00 C ATOM 1385 O ARG A 93 8.018 -1.303 7.505 1.00 0.00 O ATOM 1386 CB ARG A 93 7.430 0.999 5.235 1.00 0.00 C ATOM 1387 CG ARG A 93 8.483 1.474 4.248 1.00 0.00 C ATOM 1388 CD ARG A 93 7.930 1.541 2.833 1.00 0.00 C ATOM 1389 NE ARG A 93 6.802 2.463 2.728 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.936 3.766 2.509 1.00 0.00 C ATOM 1391 NH1 ARG A 93 8.143 4.298 2.371 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.862 4.540 2.426 1.00 0.00 N ATOM 0 H ARG A 93 5.679 -0.580 6.632 1.00 0.00 H new ATOM 0 HA ARG A 93 7.551 -0.962 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.460 1.399 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.656 1.408 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.844 2.458 4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.338 0.799 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.719 1.855 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.615 0.546 2.520 1.00 0.00 H new ATOM 0 HE ARG A 93 5.860 2.085 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.971 3.706 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.243 5.299 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.932 4.135 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.966 5.541 2.258 1.00 0.00 H new ATOM 1406 N VAL A 94 9.593 -1.193 5.902 1.00 0.00 N ATOM 1407 CA VAL A 94 10.662 -1.681 6.766 1.00 0.00 C ATOM 1408 C VAL A 94 11.847 -0.722 6.769 1.00 0.00 C ATOM 1409 O VAL A 94 12.447 -0.457 5.727 1.00 0.00 O ATOM 1410 CB VAL A 94 11.146 -3.076 6.327 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.235 -3.582 7.260 1.00 0.00 C ATOM 1412 CG2 VAL A 94 9.980 -4.052 6.275 1.00 0.00 C ATOM 0 H VAL A 94 9.885 -0.983 4.948 1.00 0.00 H new ATOM 0 HA VAL A 94 10.250 -1.748 7.773 1.00 0.00 H new ATOM 0 HB VAL A 94 11.568 -2.996 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.564 -4.569 6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.079 -2.893 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.843 -3.648 8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.340 -5.032 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.526 -4.129 7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.238 -3.694 5.562 1.00 0.00 H new