USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 85 GLN :FLIP amide:sc= 0.714 F(o=0.62,f=1.5) USER MOD Set 1.2: A 87 THR OG1 : rot 74:sc= 0.801 USER MOD Set 2.1: A 22 ASN : amide:sc= 1.04 K(o=2.3,f=-6.4!) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -115:sc= 1.22 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00438) USER MOD Single : A 18 ASN : amide:sc= -0.0283 K(o=-0.028,f=-3.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -2:sc= 1.28 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -31:sc= 0.934 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -106:sc= 1.08 (180deg=-0.686!) USER MOD Single : A 50 SER OG : rot 56:sc= 0.936 USER MOD Single : A 57 THR OG1 : rot -76:sc= 1.35 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -111:sc= -0.717 (180deg=-2.07!) USER MOD Single : A 72 ASN : amide:sc= 0.989 K(o=0.99,f=-0.79) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -2.433 10.305 2.138 1.00 0.00 N ATOM 134 CA GLY A 10 -1.679 9.451 1.229 1.00 0.00 C ATOM 135 C GLY A 10 -1.580 7.982 1.642 1.00 0.00 C ATOM 136 O GLY A 10 -0.552 7.353 1.385 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.139 9.503 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.670 9.853 1.132 1.00 0.00 H new ATOM 140 N LYS A 11 -2.614 7.423 2.281 1.00 0.00 N ATOM 141 CA LYS A 11 -2.594 6.097 2.907 1.00 0.00 C ATOM 142 C LYS A 11 -3.528 5.114 2.191 1.00 0.00 C ATOM 143 O LYS A 11 -4.726 5.397 2.064 1.00 0.00 O ATOM 144 CB LYS A 11 -2.978 6.237 4.393 1.00 0.00 C ATOM 145 CG LYS A 11 -1.898 6.944 5.241 1.00 0.00 C ATOM 146 CD LYS A 11 -1.691 6.372 6.657 1.00 0.00 C ATOM 147 CE LYS A 11 -2.494 7.113 7.731 1.00 0.00 C ATOM 148 NZ LYS A 11 -1.914 8.440 8.049 1.00 0.00 N ATOM 0 H LYS A 11 -3.513 7.894 2.379 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.587 5.688 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.912 6.795 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.164 5.246 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.950 6.895 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.161 7.998 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.975 5.320 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.631 6.417 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.522 7.240 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.530 6.508 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.460 8.883 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.925 8.324 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.949 9.046 7.204 1.00 0.00 H new ATOM 162 N LEU A 12 -3.006 3.944 1.803 1.00 0.00 N ATOM 163 CA LEU A 12 -3.729 2.862 1.120 1.00 0.00 C ATOM 164 C LEU A 12 -3.670 1.583 1.967 1.00 0.00 C ATOM 165 O LEU A 12 -3.303 1.648 3.138 1.00 0.00 O ATOM 166 CB LEU A 12 -3.207 2.657 -0.323 1.00 0.00 C ATOM 167 CG LEU A 12 -3.648 3.734 -1.339 1.00 0.00 C ATOM 168 CD1 LEU A 12 -3.155 3.346 -2.737 1.00 0.00 C ATOM 169 CD2 LEU A 12 -5.168 3.924 -1.392 1.00 0.00 C ATOM 0 H LEU A 12 -2.025 3.715 1.963 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.778 3.139 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.118 2.628 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.544 1.684 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.210 4.676 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.465 4.105 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.067 3.274 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.581 2.383 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.413 4.694 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.642 2.986 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.531 4.228 -0.410 1.00 0.00 H new ATOM 181 N PHE A 13 -4.112 0.436 1.447 1.00 0.00 N ATOM 182 CA PHE A 13 -4.070 -0.875 2.093 1.00 0.00 C ATOM 183 C PHE A 13 -3.913 -1.954 1.015 1.00 0.00 C ATOM 184 O PHE A 13 -4.529 -1.824 -0.043 1.00 0.00 O ATOM 185 CB PHE A 13 -5.378 -1.104 2.861 1.00 0.00 C ATOM 186 CG PHE A 13 -5.293 -2.241 3.855 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.496 -3.569 3.436 1.00 0.00 C ATOM 188 CD2 PHE A 13 -4.975 -1.973 5.199 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.394 -4.623 4.364 1.00 0.00 C ATOM 190 CE2 PHE A 13 -4.880 -3.021 6.127 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.102 -4.348 5.712 1.00 0.00 C ATOM 0 H PHE A 13 -4.530 0.396 0.517 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.231 -0.922 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.648 -0.189 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.178 -1.310 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.730 -3.780 2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.803 -0.956 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.540 -5.643 4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.637 -2.810 7.158 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.048 -5.154 6.428 1.00 0.00 H new ATOM 201 N ILE A 14 -3.116 -3.006 1.251 1.00 0.00 N ATOM 202 CA ILE A 14 -2.881 -4.067 0.273 1.00 0.00 C ATOM 203 C ILE A 14 -3.004 -5.426 0.980 1.00 0.00 C ATOM 204 O ILE A 14 -2.491 -5.590 2.090 1.00 0.00 O ATOM 205 CB ILE A 14 -1.518 -3.868 -0.445 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.265 -2.432 -0.972 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.464 -4.767 -1.694 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.632 -1.461 0.025 1.00 0.00 C ATOM 0 H ILE A 14 -2.617 -3.141 2.130 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.633 -4.031 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.771 -4.104 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.620 -2.495 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.215 -2.014 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.508 -4.630 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.570 -5.810 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.275 -4.498 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.500 -0.488 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.282 -1.357 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.338 -1.845 0.341 1.00 0.00 H new ATOM 220 N GLY A 15 -3.676 -6.404 0.356 1.00 0.00 N ATOM 221 CA GLY A 15 -3.983 -7.703 0.960 1.00 0.00 C ATOM 222 C GLY A 15 -4.152 -8.799 -0.093 1.00 0.00 C ATOM 223 O GLY A 15 -5.098 -8.768 -0.878 1.00 0.00 O ATOM 0 H GLY A 15 -4.026 -6.311 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.184 -7.981 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.897 -7.622 1.549 1.00 0.00 H new ATOM 227 N GLY A 16 -3.239 -9.765 -0.133 1.00 0.00 N ATOM 228 CA GLY A 16 -3.197 -10.860 -1.101 1.00 0.00 C ATOM 229 C GLY A 16 -1.815 -11.025 -1.739 1.00 0.00 C ATOM 230 O GLY A 16 -1.724 -11.536 -2.852 1.00 0.00 O ATOM 0 H GLY A 16 -2.473 -9.809 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.479 -11.789 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.935 -10.679 -1.882 1.00 0.00 H new ATOM 234 N LEU A 17 -0.756 -10.523 -1.094 1.00 0.00 N ATOM 235 CA LEU A 17 0.606 -10.526 -1.620 1.00 0.00 C ATOM 236 C LEU A 17 1.163 -11.951 -1.631 1.00 0.00 C ATOM 237 O LEU A 17 0.684 -12.813 -0.887 1.00 0.00 O ATOM 238 CB LEU A 17 1.519 -9.592 -0.791 1.00 0.00 C ATOM 239 CG LEU A 17 1.168 -8.084 -0.797 1.00 0.00 C ATOM 240 CD1 LEU A 17 0.706 -7.606 -2.173 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.131 -7.683 0.252 1.00 0.00 C ATOM 0 H LEU A 17 -0.828 -10.095 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 17 0.581 -10.151 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.510 -9.938 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.540 -9.704 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 17 2.104 -7.589 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.471 -6.543 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.500 -7.772 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.183 -8.162 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.061 -6.612 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.795 -8.229 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.509 -7.921 1.246 1.00 0.00 H new ATOM 253 N ASN A 18 2.182 -12.199 -2.460 1.00 0.00 N ATOM 254 CA ASN A 18 2.862 -13.496 -2.482 1.00 0.00 C ATOM 255 C ASN A 18 3.786 -13.613 -1.270 1.00 0.00 C ATOM 256 O ASN A 18 4.289 -12.604 -0.773 1.00 0.00 O ATOM 257 CB ASN A 18 3.668 -13.712 -3.780 1.00 0.00 C ATOM 258 CG ASN A 18 3.925 -15.199 -4.053 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.326 -16.061 -3.421 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.786 -15.559 -4.989 1.00 0.00 N ATOM 0 H ASN A 18 2.553 -11.519 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 18 2.095 -14.270 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.127 -13.277 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.620 -13.186 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.947 -16.548 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.289 -14.848 -5.520 1.00 0.00 H new ATOM 267 N THR A 19 4.084 -14.834 -0.833 1.00 0.00 N ATOM 268 CA THR A 19 4.853 -15.112 0.377 1.00 0.00 C ATOM 269 C THR A 19 6.306 -14.606 0.329 1.00 0.00 C ATOM 270 O THR A 19 6.964 -14.564 1.372 1.00 0.00 O ATOM 271 CB THR A 19 4.783 -16.620 0.693 1.00 0.00 C ATOM 272 OG1 THR A 19 4.756 -17.402 -0.482 1.00 0.00 O ATOM 273 CG2 THR A 19 3.540 -16.939 1.525 1.00 0.00 C ATOM 0 H THR A 19 3.790 -15.679 -1.323 1.00 0.00 H new ATOM 0 HA THR A 19 4.393 -14.545 1.186 1.00 0.00 H new ATOM 0 HB THR A 19 5.683 -16.866 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.713 -18.351 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.509 -18.008 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.577 -16.384 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.647 -16.653 0.969 1.00 0.00 H new ATOM 281 N GLU A 20 6.820 -14.196 -0.833 1.00 0.00 N ATOM 282 CA GLU A 20 8.222 -13.862 -1.063 1.00 0.00 C ATOM 283 C GLU A 20 8.363 -12.461 -1.694 1.00 0.00 C ATOM 284 O GLU A 20 9.343 -12.167 -2.380 1.00 0.00 O ATOM 285 CB GLU A 20 8.862 -14.999 -1.876 1.00 0.00 C ATOM 286 CG GLU A 20 10.396 -15.064 -1.724 1.00 0.00 C ATOM 287 CD GLU A 20 10.892 -16.228 -0.858 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.435 -17.380 -1.024 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.824 -16.045 -0.042 1.00 0.00 O ATOM 0 H GLU A 20 6.247 -14.084 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 20 8.768 -13.789 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.431 -15.949 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.613 -14.869 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.845 -15.145 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.747 -14.128 -1.290 1.00 0.00 H new ATOM 296 N THR A 21 7.386 -11.570 -1.510 1.00 0.00 N ATOM 297 CA THR A 21 7.485 -10.182 -1.936 1.00 0.00 C ATOM 298 C THR A 21 8.300 -9.405 -0.881 1.00 0.00 C ATOM 299 O THR A 21 8.372 -9.818 0.277 1.00 0.00 O ATOM 300 CB THR A 21 6.038 -9.716 -2.185 1.00 0.00 C ATOM 301 OG1 THR A 21 5.552 -10.351 -3.366 1.00 0.00 O ATOM 302 CG2 THR A 21 5.877 -8.208 -2.344 1.00 0.00 C ATOM 0 H THR A 21 6.501 -11.798 -1.058 1.00 0.00 H new ATOM 0 HA THR A 21 8.031 -10.014 -2.864 1.00 0.00 H new ATOM 0 HB THR A 21 5.470 -9.994 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.630 -10.065 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.827 -7.970 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.219 -7.708 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.470 -7.866 -3.192 1.00 0.00 H new ATOM 310 N ASN A 22 8.951 -8.295 -1.250 1.00 0.00 N ATOM 311 CA ASN A 22 9.676 -7.436 -0.310 1.00 0.00 C ATOM 312 C ASN A 22 9.532 -5.978 -0.745 1.00 0.00 C ATOM 313 O ASN A 22 9.110 -5.694 -1.864 1.00 0.00 O ATOM 314 CB ASN A 22 11.161 -7.816 -0.187 1.00 0.00 C ATOM 315 CG ASN A 22 11.409 -9.100 0.581 1.00 0.00 C ATOM 316 OD1 ASN A 22 11.444 -9.090 1.803 1.00 0.00 O ATOM 317 ND2 ASN A 22 11.645 -10.218 -0.075 1.00 0.00 N ATOM 0 H ASN A 22 8.989 -7.967 -2.215 1.00 0.00 H new ATOM 0 HA ASN A 22 9.236 -7.577 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.584 -7.916 -1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.694 -7.002 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.857 -11.075 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.616 -10.227 -1.095 1.00 0.00 H new ATOM 324 N GLU A 23 9.944 -5.060 0.121 1.00 0.00 N ATOM 325 CA GLU A 23 9.811 -3.597 -0.007 1.00 0.00 C ATOM 326 C GLU A 23 10.497 -3.132 -1.300 1.00 0.00 C ATOM 327 O GLU A 23 9.928 -2.397 -2.101 1.00 0.00 O ATOM 328 CB GLU A 23 10.345 -2.866 1.257 1.00 0.00 C ATOM 329 CG GLU A 23 9.640 -3.334 2.546 1.00 0.00 C ATOM 330 CD GLU A 23 10.391 -3.075 3.861 1.00 0.00 C ATOM 331 OE1 GLU A 23 10.487 -1.928 4.346 1.00 0.00 O ATOM 332 OE2 GLU A 23 10.895 -4.064 4.455 1.00 0.00 O ATOM 0 H GLU A 23 10.410 -5.324 0.989 1.00 0.00 H new ATOM 0 HA GLU A 23 8.755 -3.334 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.417 -3.040 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.205 -1.792 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.669 -2.842 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.451 -4.404 2.464 1.00 0.00 H new ATOM 339 N LYS A 24 11.680 -3.681 -1.570 1.00 0.00 N ATOM 340 CA LYS A 24 12.441 -3.486 -2.809 1.00 0.00 C ATOM 341 C LYS A 24 11.661 -3.820 -4.080 1.00 0.00 C ATOM 342 O LYS A 24 11.915 -3.264 -5.147 1.00 0.00 O ATOM 343 CB LYS A 24 13.705 -4.366 -2.762 1.00 0.00 C ATOM 344 CG LYS A 24 13.370 -5.878 -2.753 1.00 0.00 C ATOM 345 CD LYS A 24 14.556 -6.789 -2.442 1.00 0.00 C ATOM 346 CE LYS A 24 15.439 -6.889 -3.686 1.00 0.00 C ATOM 347 NZ LYS A 24 16.610 -7.750 -3.457 1.00 0.00 N ATOM 0 H LYS A 24 12.155 -4.297 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 24 12.681 -2.424 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.334 -4.141 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.284 -4.119 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.587 -6.059 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.963 -6.153 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.128 -6.391 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.205 -7.778 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.854 -7.284 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.772 -5.893 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.184 -7.793 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.182 -7.359 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.293 -8.708 -3.204 1.00 0.00 H new ATOM 361 N ALA A 25 10.779 -4.811 -4.000 1.00 0.00 N ATOM 362 CA ALA A 25 10.007 -5.293 -5.125 1.00 0.00 C ATOM 363 C ALA A 25 8.812 -4.366 -5.307 1.00 0.00 C ATOM 364 O ALA A 25 8.426 -4.053 -6.432 1.00 0.00 O ATOM 365 CB ALA A 25 9.582 -6.738 -4.843 1.00 0.00 C ATOM 0 H ALA A 25 10.582 -5.307 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 25 10.586 -5.292 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.999 -7.116 -5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.468 -7.358 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.976 -6.769 -3.937 1.00 0.00 H new ATOM 371 N LEU A 26 8.254 -3.918 -4.181 1.00 0.00 N ATOM 372 CA LEU A 26 7.144 -2.994 -4.034 1.00 0.00 C ATOM 373 C LEU A 26 7.431 -1.616 -4.586 1.00 0.00 C ATOM 374 O LEU A 26 6.516 -0.982 -5.115 1.00 0.00 O ATOM 375 CB LEU A 26 6.836 -2.842 -2.542 1.00 0.00 C ATOM 376 CG LEU A 26 5.570 -3.544 -2.084 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.325 -2.978 -2.756 1.00 0.00 C ATOM 378 CD2 LEU A 26 5.649 -5.056 -2.278 1.00 0.00 C ATOM 0 H LEU A 26 8.603 -4.224 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 26 6.308 -3.409 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.678 -3.230 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.753 -1.781 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 26 5.486 -3.351 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.444 -3.511 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.231 -1.919 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.408 -3.099 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.721 -5.516 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.798 -5.280 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.484 -5.454 -1.702 1.00 0.00 H new ATOM 390 N GLU A 27 8.676 -1.164 -4.473 1.00 0.00 N ATOM 391 CA GLU A 27 9.140 0.055 -5.124 1.00 0.00 C ATOM 392 C GLU A 27 8.735 -0.022 -6.599 1.00 0.00 C ATOM 393 O GLU A 27 8.016 0.832 -7.110 1.00 0.00 O ATOM 394 CB GLU A 27 10.673 0.156 -4.990 1.00 0.00 C ATOM 395 CG GLU A 27 11.167 0.455 -3.563 1.00 0.00 C ATOM 396 CD GLU A 27 12.641 0.091 -3.311 1.00 0.00 C ATOM 397 OE1 GLU A 27 13.330 -0.402 -4.238 1.00 0.00 O ATOM 398 OE2 GLU A 27 13.100 0.274 -2.159 1.00 0.00 O ATOM 0 H GLU A 27 9.395 -1.636 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 27 8.698 0.938 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.118 -0.780 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.033 0.938 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.027 1.516 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.544 -0.091 -2.854 1.00 0.00 H new ATOM 405 N ALA A 28 9.106 -1.122 -7.258 1.00 0.00 N ATOM 406 CA ALA A 28 8.817 -1.371 -8.658 1.00 0.00 C ATOM 407 C ALA A 28 7.339 -1.705 -8.936 1.00 0.00 C ATOM 408 O ALA A 28 6.945 -1.693 -10.103 1.00 0.00 O ATOM 409 CB ALA A 28 9.746 -2.490 -9.143 1.00 0.00 C ATOM 0 H ALA A 28 9.628 -1.878 -6.815 1.00 0.00 H new ATOM 0 HA ALA A 28 9.000 -0.451 -9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.548 -2.697 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.784 -2.179 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.567 -3.391 -8.556 1.00 0.00 H new ATOM 415 N VAL A 29 6.512 -2.028 -7.933 1.00 0.00 N ATOM 416 CA VAL A 29 5.081 -2.267 -8.152 1.00 0.00 C ATOM 417 C VAL A 29 4.365 -0.939 -8.409 1.00 0.00 C ATOM 418 O VAL A 29 3.472 -0.877 -9.262 1.00 0.00 O ATOM 419 CB VAL A 29 4.434 -3.017 -6.965 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.912 -3.194 -7.096 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.002 -4.432 -6.806 1.00 0.00 C ATOM 0 H VAL A 29 6.810 -2.130 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 29 4.977 -2.906 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 29 4.664 -2.384 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.532 -3.729 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.436 -2.215 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.688 -3.764 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.521 -4.924 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.814 -5.004 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.076 -4.375 -6.629 1.00 0.00 H new ATOM 431 N PHE A 30 4.713 0.097 -7.641 1.00 0.00 N ATOM 432 CA PHE A 30 3.909 1.306 -7.548 1.00 0.00 C ATOM 433 C PHE A 30 4.691 2.581 -7.909 1.00 0.00 C ATOM 434 O PHE A 30 4.072 3.603 -8.186 1.00 0.00 O ATOM 435 CB PHE A 30 3.295 1.389 -6.144 1.00 0.00 C ATOM 436 CG PHE A 30 2.278 0.330 -5.736 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.980 0.313 -6.290 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.581 -0.555 -4.687 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.004 -0.560 -5.781 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.597 -1.416 -4.170 1.00 0.00 C ATOM 441 CZ PHE A 30 0.299 -1.418 -4.704 1.00 0.00 C ATOM 0 H PHE A 30 5.558 0.116 -7.070 1.00 0.00 H new ATOM 0 HA PHE A 30 3.113 1.244 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.111 1.361 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.817 2.364 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.738 0.973 -7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.579 -0.574 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.992 -0.571 -6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.842 -2.081 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.459 -2.069 -4.295 1.00 0.00 H new ATOM 451 N GLY A 31 6.023 2.554 -8.016 1.00 0.00 N ATOM 452 CA GLY A 31 6.815 3.732 -8.384 1.00 0.00 C ATOM 453 C GLY A 31 6.569 4.161 -9.832 1.00 0.00 C ATOM 454 O GLY A 31 6.978 5.238 -10.262 1.00 0.00 O ATOM 0 H GLY A 31 6.582 1.717 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.569 4.557 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.874 3.514 -8.246 1.00 0.00 H new ATOM 458 N LYS A 32 5.857 3.335 -10.594 1.00 0.00 N ATOM 459 CA LYS A 32 5.380 3.603 -11.939 1.00 0.00 C ATOM 460 C LYS A 32 4.117 4.469 -11.955 1.00 0.00 C ATOM 461 O LYS A 32 3.477 4.538 -13.004 1.00 0.00 O ATOM 462 CB LYS A 32 5.176 2.259 -12.644 1.00 0.00 C ATOM 463 CG LYS A 32 4.100 1.388 -11.975 1.00 0.00 C ATOM 464 CD LYS A 32 4.110 -0.021 -12.575 1.00 0.00 C ATOM 465 CE LYS A 32 3.382 0.002 -13.923 1.00 0.00 C ATOM 466 NZ LYS A 32 2.782 -1.299 -14.260 1.00 0.00 N ATOM 0 H LYS A 32 5.584 2.408 -10.266 1.00 0.00 H new ATOM 0 HA LYS A 32 6.124 4.190 -12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.897 2.438 -13.682 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.120 1.715 -12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.281 1.335 -10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.118 1.842 -12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.135 -0.366 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.623 -0.722 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.602 0.763 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.083 0.289 -14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.302 -1.232 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.527 -2.022 -14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.092 -1.563 -13.528 1.00 0.00 H new ATOM 480 N TYR A 33 3.740 5.079 -10.828 1.00 0.00 N ATOM 481 CA TYR A 33 2.653 6.044 -10.759 1.00 0.00 C ATOM 482 C TYR A 33 3.135 7.418 -10.257 1.00 0.00 C ATOM 483 O TYR A 33 2.582 8.436 -10.688 1.00 0.00 O ATOM 484 CB TYR A 33 1.511 5.481 -9.905 1.00 0.00 C ATOM 485 CG TYR A 33 0.931 4.155 -10.376 1.00 0.00 C ATOM 486 CD1 TYR A 33 0.095 4.095 -11.508 1.00 0.00 C ATOM 487 CD2 TYR A 33 1.216 2.977 -9.664 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.474 2.871 -11.906 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.664 1.748 -10.057 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.202 1.696 -11.171 1.00 0.00 C ATOM 491 OH TYR A 33 -0.751 0.501 -11.518 1.00 0.00 O ATOM 0 H TYR A 33 4.191 4.910 -9.929 1.00 0.00 H new ATOM 0 HA TYR A 33 2.273 6.211 -11.767 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.872 5.357 -8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.708 6.217 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.110 4.992 -12.073 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.868 3.018 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.118 2.830 -12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.900 0.847 -9.510 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.344 0.625 -12.288 1.00 0.00 H new ATOM 501 N GLY A 34 4.185 7.486 -9.427 1.00 0.00 N ATOM 502 CA GLY A 34 4.643 8.722 -8.798 1.00 0.00 C ATOM 503 C GLY A 34 5.724 8.444 -7.751 1.00 0.00 C ATOM 504 O GLY A 34 6.431 7.431 -7.843 1.00 0.00 O ATOM 0 H GLY A 34 4.744 6.671 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.035 9.396 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.800 9.228 -8.328 1.00 0.00 H new ATOM 508 N ARG A 35 5.949 9.382 -6.826 1.00 0.00 N ATOM 509 CA ARG A 35 6.994 9.289 -5.809 1.00 0.00 C ATOM 510 C ARG A 35 6.443 8.658 -4.528 1.00 0.00 C ATOM 511 O ARG A 35 5.902 9.345 -3.655 1.00 0.00 O ATOM 512 CB ARG A 35 7.654 10.659 -5.582 1.00 0.00 C ATOM 513 CG ARG A 35 8.997 10.514 -4.845 1.00 0.00 C ATOM 514 CD ARG A 35 9.763 11.837 -4.854 1.00 0.00 C ATOM 515 NE ARG A 35 11.120 11.716 -4.294 1.00 0.00 N ATOM 516 CZ ARG A 35 11.557 12.097 -3.089 1.00 0.00 C ATOM 517 NH1 ARG A 35 10.737 12.416 -2.100 1.00 0.00 N ATOM 518 NH2 ARG A 35 12.858 12.181 -2.857 1.00 0.00 N ATOM 0 H ARG A 35 5.400 10.240 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 35 7.784 8.626 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.814 11.152 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.985 11.296 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.821 10.197 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.596 9.738 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.829 12.206 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.204 12.579 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 35 11.816 11.286 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.728 12.376 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.115 12.701 -1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.523 11.955 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.195 12.471 -1.939 1.00 0.00 H new ATOM 532 N ILE A 36 6.647 7.349 -4.389 1.00 0.00 N ATOM 533 CA ILE A 36 6.525 6.659 -3.107 1.00 0.00 C ATOM 534 C ILE A 36 7.514 7.288 -2.132 1.00 0.00 C ATOM 535 O ILE A 36 8.578 7.768 -2.535 1.00 0.00 O ATOM 536 CB ILE A 36 6.822 5.144 -3.259 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.919 4.507 -4.329 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.664 4.369 -1.930 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.277 3.051 -4.610 1.00 0.00 C ATOM 0 H ILE A 36 6.902 6.737 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 36 5.505 6.760 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 36 7.865 5.071 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.880 4.565 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.996 5.081 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.884 3.314 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.355 4.772 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.642 4.474 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.608 2.652 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.306 2.991 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.173 2.468 -3.695 1.00 0.00 H new ATOM 551 N VAL A 37 7.191 7.217 -0.844 1.00 0.00 N ATOM 552 CA VAL A 37 8.093 7.606 0.219 1.00 0.00 C ATOM 553 C VAL A 37 8.149 6.560 1.343 1.00 0.00 C ATOM 554 O VAL A 37 9.134 6.559 2.079 1.00 0.00 O ATOM 555 CB VAL A 37 7.685 9.034 0.622 1.00 0.00 C ATOM 556 CG1 VAL A 37 6.260 9.131 1.182 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.637 9.744 1.573 1.00 0.00 C ATOM 0 H VAL A 37 6.286 6.884 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 37 9.136 7.632 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 37 7.735 9.556 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.042 10.166 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.549 8.790 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.175 8.506 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.256 10.741 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.718 9.175 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.621 9.825 1.110 1.00 0.00 H new ATOM 567 N GLU A 38 7.190 5.630 1.454 1.00 0.00 N ATOM 568 CA GLU A 38 7.013 4.811 2.652 1.00 0.00 C ATOM 569 C GLU A 38 6.427 3.439 2.281 1.00 0.00 C ATOM 570 O GLU A 38 5.425 3.358 1.565 1.00 0.00 O ATOM 571 CB GLU A 38 6.111 5.614 3.609 1.00 0.00 C ATOM 572 CG GLU A 38 6.869 6.209 4.798 1.00 0.00 C ATOM 573 CD GLU A 38 6.219 7.486 5.374 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.815 8.421 4.644 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.160 7.622 6.620 1.00 0.00 O ATOM 0 H GLU A 38 6.518 5.428 0.714 1.00 0.00 H new ATOM 0 HA GLU A 38 7.962 4.599 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.630 6.419 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.318 4.965 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.936 5.459 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.889 6.439 4.489 1.00 0.00 H new ATOM 582 N VAL A 39 7.059 2.364 2.766 1.00 0.00 N ATOM 583 CA VAL A 39 6.783 0.970 2.422 1.00 0.00 C ATOM 584 C VAL A 39 6.784 0.065 3.677 1.00 0.00 C ATOM 585 O VAL A 39 7.706 -0.716 3.895 1.00 0.00 O ATOM 586 CB VAL A 39 7.761 0.458 1.321 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.117 -0.772 0.691 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.040 1.450 0.181 1.00 0.00 C ATOM 0 H VAL A 39 7.816 2.451 3.444 1.00 0.00 H new ATOM 0 HA VAL A 39 5.778 0.921 2.003 1.00 0.00 H new ATOM 0 HB VAL A 39 8.715 0.274 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.770 -1.165 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.964 -1.534 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.156 -0.497 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.731 1.000 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.106 1.696 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.482 2.359 0.590 1.00 0.00 H new ATOM 598 N LEU A 40 5.734 0.123 4.500 1.00 0.00 N ATOM 599 CA LEU A 40 5.593 -0.714 5.701 1.00 0.00 C ATOM 600 C LEU A 40 5.166 -2.131 5.300 1.00 0.00 C ATOM 601 O LEU A 40 3.984 -2.382 5.028 1.00 0.00 O ATOM 602 CB LEU A 40 4.621 -0.101 6.735 1.00 0.00 C ATOM 603 CG LEU A 40 5.212 0.041 8.155 1.00 0.00 C ATOM 604 CD1 LEU A 40 4.162 0.637 9.102 1.00 0.00 C ATOM 605 CD2 LEU A 40 5.699 -1.281 8.757 1.00 0.00 C ATOM 0 H LEU A 40 4.949 0.757 4.353 1.00 0.00 H new ATOM 0 HA LEU A 40 6.565 -0.764 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.308 0.882 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.726 -0.721 6.787 1.00 0.00 H new ATOM 0 HG LEU A 40 6.077 0.695 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.587 0.734 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.861 1.620 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.292 -0.019 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.100 -1.101 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.865 -1.980 8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.478 -1.704 8.123 1.00 0.00 H new ATOM 617 N LEU A 41 6.117 -3.061 5.218 1.00 0.00 N ATOM 618 CA LEU A 41 5.844 -4.459 4.896 1.00 0.00 C ATOM 619 C LEU A 41 5.718 -5.285 6.176 1.00 0.00 C ATOM 620 O LEU A 41 6.549 -5.150 7.076 1.00 0.00 O ATOM 621 CB LEU A 41 6.964 -5.011 4.020 1.00 0.00 C ATOM 622 CG LEU A 41 6.794 -6.494 3.641 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.451 -6.853 2.996 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.883 -6.912 2.657 1.00 0.00 C ATOM 0 H LEU A 41 7.105 -2.863 5.374 1.00 0.00 H new ATOM 0 HA LEU A 41 4.901 -4.521 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.022 -4.418 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.913 -4.887 4.542 1.00 0.00 H new ATOM 0 HG LEU A 41 6.855 -7.022 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.431 -7.918 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.641 -6.614 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.325 -6.282 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.754 -7.962 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.813 -6.302 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.862 -6.770 3.116 1.00 0.00 H new ATOM 636 N MET A 42 4.722 -6.176 6.238 1.00 0.00 N ATOM 637 CA MET A 42 4.447 -7.005 7.407 1.00 0.00 C ATOM 638 C MET A 42 4.939 -8.422 7.127 1.00 0.00 C ATOM 639 O MET A 42 4.384 -9.113 6.266 1.00 0.00 O ATOM 640 CB MET A 42 2.948 -6.972 7.756 1.00 0.00 C ATOM 641 CG MET A 42 2.346 -5.561 7.724 1.00 0.00 C ATOM 642 SD MET A 42 3.331 -4.218 8.443 1.00 0.00 S ATOM 643 CE MET A 42 3.425 -4.718 10.178 1.00 0.00 C ATOM 0 H MET A 42 4.078 -6.340 5.464 1.00 0.00 H new ATOM 0 HA MET A 42 4.978 -6.616 8.276 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.405 -7.607 7.055 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.804 -7.398 8.749 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.138 -5.307 6.685 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.388 -5.591 8.243 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.003 -3.982 10.738 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.419 -4.782 10.593 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.910 -5.692 10.250 1.00 0.00 H new ATOM 653 N LYS A 43 5.991 -8.848 7.829 1.00 0.00 N ATOM 654 CA LYS A 43 6.605 -10.160 7.632 1.00 0.00 C ATOM 655 C LYS A 43 6.176 -11.142 8.708 1.00 0.00 C ATOM 656 O LYS A 43 5.747 -10.769 9.802 1.00 0.00 O ATOM 657 CB LYS A 43 8.134 -10.048 7.538 1.00 0.00 C ATOM 658 CG LYS A 43 8.517 -9.442 6.188 1.00 0.00 C ATOM 659 CD LYS A 43 10.029 -9.323 5.989 1.00 0.00 C ATOM 660 CE LYS A 43 10.237 -8.556 4.685 1.00 0.00 C ATOM 661 NZ LYS A 43 11.648 -8.248 4.399 1.00 0.00 N ATOM 0 H LYS A 43 6.442 -8.289 8.553 1.00 0.00 H new ATOM 0 HA LYS A 43 6.248 -10.554 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.515 -9.427 8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.589 -11.032 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.099 -10.055 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.066 -8.453 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.490 -8.798 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.492 -10.308 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.827 -9.140 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.672 -7.625 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.790 -7.218 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.253 -8.695 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.899 -8.613 3.458 1.00 0.00 H new ATOM 675 N ASP A 44 6.246 -12.417 8.355 1.00 0.00 N ATOM 676 CA ASP A 44 5.941 -13.554 9.207 1.00 0.00 C ATOM 677 C ASP A 44 7.049 -13.740 10.249 1.00 0.00 C ATOM 678 O ASP A 44 7.998 -12.949 10.321 1.00 0.00 O ATOM 679 CB ASP A 44 5.722 -14.825 8.358 1.00 0.00 C ATOM 680 CG ASP A 44 4.491 -15.554 8.915 1.00 0.00 C ATOM 681 OD1 ASP A 44 4.572 -15.953 10.098 1.00 0.00 O ATOM 682 OD2 ASP A 44 3.477 -15.712 8.197 1.00 0.00 O ATOM 0 H ASP A 44 6.532 -12.700 7.418 1.00 0.00 H new ATOM 0 HA ASP A 44 5.011 -13.364 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.570 -14.564 7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.600 -15.470 8.401 1.00 0.00 H new ATOM 687 N ARG A 45 6.981 -14.790 11.066 1.00 0.00 N ATOM 688 CA ARG A 45 8.077 -15.212 11.931 1.00 0.00 C ATOM 689 C ARG A 45 8.829 -16.403 11.354 1.00 0.00 C ATOM 690 O ARG A 45 9.926 -16.683 11.825 1.00 0.00 O ATOM 691 CB ARG A 45 7.475 -15.486 13.321 1.00 0.00 C ATOM 692 CG ARG A 45 8.474 -15.962 14.379 1.00 0.00 C ATOM 693 CD ARG A 45 8.604 -17.492 14.488 1.00 0.00 C ATOM 694 NE ARG A 45 9.930 -17.874 15.002 1.00 0.00 N ATOM 695 CZ ARG A 45 10.270 -19.060 15.519 1.00 0.00 C ATOM 696 NH1 ARG A 45 9.387 -20.037 15.664 1.00 0.00 N ATOM 697 NH2 ARG A 45 11.523 -19.270 15.889 1.00 0.00 N ATOM 0 H ARG A 45 6.151 -15.378 11.145 1.00 0.00 H new ATOM 0 HA ARG A 45 8.832 -14.430 12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.997 -14.574 13.679 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.692 -16.237 13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.454 -15.542 14.151 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.174 -15.565 15.349 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.828 -17.880 15.148 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.445 -17.945 13.509 1.00 0.00 H new ATOM 0 HE ARG A 45 10.661 -17.164 14.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.418 -19.895 15.378 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.676 -20.931 16.062 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.218 -18.532 15.779 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.794 -20.170 16.284 1.00 0.00 H new ATOM 711 N GLU A 46 8.297 -17.060 10.327 1.00 0.00 N ATOM 712 CA GLU A 46 8.845 -18.306 9.821 1.00 0.00 C ATOM 713 C GLU A 46 10.225 -18.068 9.218 1.00 0.00 C ATOM 714 O GLU A 46 11.241 -18.440 9.800 1.00 0.00 O ATOM 715 CB GLU A 46 7.860 -18.955 8.827 1.00 0.00 C ATOM 716 CG GLU A 46 6.419 -18.974 9.367 1.00 0.00 C ATOM 717 CD GLU A 46 6.342 -19.371 10.850 1.00 0.00 C ATOM 718 OE1 GLU A 46 6.921 -20.418 11.203 1.00 0.00 O ATOM 719 OE2 GLU A 46 5.709 -18.645 11.652 1.00 0.00 O ATOM 0 H GLU A 46 7.470 -16.738 9.823 1.00 0.00 H new ATOM 0 HA GLU A 46 8.977 -19.011 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.886 -18.409 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.180 -19.975 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.974 -17.987 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.825 -19.672 8.778 1.00 0.00 H new ATOM 726 N THR A 47 10.269 -17.429 8.055 1.00 0.00 N ATOM 727 CA THR A 47 11.448 -17.429 7.191 1.00 0.00 C ATOM 728 C THR A 47 11.540 -16.112 6.421 1.00 0.00 C ATOM 729 O THR A 47 11.707 -16.103 5.203 1.00 0.00 O ATOM 730 CB THR A 47 11.474 -18.738 6.358 1.00 0.00 C ATOM 731 OG1 THR A 47 12.349 -18.677 5.243 1.00 0.00 O ATOM 732 CG2 THR A 47 10.118 -19.312 5.925 1.00 0.00 C ATOM 0 H THR A 47 9.486 -16.893 7.681 1.00 0.00 H new ATOM 0 HA THR A 47 12.376 -17.452 7.763 1.00 0.00 H new ATOM 0 HB THR A 47 11.865 -19.445 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.392 -17.756 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.276 -20.225 5.351 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.520 -19.537 6.808 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.594 -18.582 5.308 1.00 0.00 H new ATOM 740 N ASN A 48 11.365 -14.979 7.109 1.00 0.00 N ATOM 741 CA ASN A 48 11.325 -13.645 6.498 1.00 0.00 C ATOM 742 C ASN A 48 10.255 -13.562 5.394 1.00 0.00 C ATOM 743 O ASN A 48 10.355 -12.714 4.504 1.00 0.00 O ATOM 744 CB ASN A 48 12.726 -13.217 5.998 1.00 0.00 C ATOM 745 CG ASN A 48 13.801 -13.269 7.069 1.00 0.00 C ATOM 746 OD1 ASN A 48 14.487 -14.276 7.234 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.968 -12.209 7.830 1.00 0.00 N ATOM 0 H ASN A 48 11.245 -14.962 8.122 1.00 0.00 H new ATOM 0 HA ASN A 48 11.032 -12.931 7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.019 -13.863 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.667 -12.202 5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.673 -12.216 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.392 -11.380 7.683 1.00 0.00 H new ATOM 754 N LYS A 49 9.272 -14.474 5.431 1.00 0.00 N ATOM 755 CA LYS A 49 8.133 -14.563 4.531 1.00 0.00 C ATOM 756 C LYS A 49 7.166 -13.409 4.797 1.00 0.00 C ATOM 757 O LYS A 49 7.258 -12.751 5.830 1.00 0.00 O ATOM 758 CB LYS A 49 7.470 -15.944 4.722 1.00 0.00 C ATOM 759 CG LYS A 49 7.773 -16.955 3.603 1.00 0.00 C ATOM 760 CD LYS A 49 9.240 -17.115 3.173 1.00 0.00 C ATOM 761 CE LYS A 49 9.383 -18.362 2.281 1.00 0.00 C ATOM 762 NZ LYS A 49 10.681 -18.446 1.572 1.00 0.00 N ATOM 0 H LYS A 49 9.259 -15.210 6.137 1.00 0.00 H new ATOM 0 HA LYS A 49 8.449 -14.474 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.800 -16.363 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.391 -15.809 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.407 -17.931 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.194 -16.669 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.570 -16.228 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.879 -17.208 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.258 -19.253 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.578 -18.366 1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.542 -18.221 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.349 -17.767 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.064 -19.409 1.662 1.00 0.00 H new ATOM 776 N SER A 50 6.210 -13.201 3.900 1.00 0.00 N ATOM 777 CA SER A 50 5.159 -12.202 4.038 1.00 0.00 C ATOM 778 C SER A 50 4.026 -12.741 4.928 1.00 0.00 C ATOM 779 O SER A 50 3.778 -13.951 4.978 1.00 0.00 O ATOM 780 CB SER A 50 4.705 -11.875 2.609 1.00 0.00 C ATOM 781 OG SER A 50 3.412 -11.334 2.511 1.00 0.00 O ATOM 0 H SER A 50 6.143 -13.736 3.034 1.00 0.00 H new ATOM 0 HA SER A 50 5.502 -11.293 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.412 -11.171 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.749 -12.786 2.011 1.00 0.00 H new ATOM 0 HG SER A 50 3.349 -10.533 3.072 1.00 0.00 H new ATOM 787 N ARG A 51 3.289 -11.830 5.581 1.00 0.00 N ATOM 788 CA ARG A 51 1.996 -12.091 6.242 1.00 0.00 C ATOM 789 C ARG A 51 0.822 -12.099 5.251 1.00 0.00 C ATOM 790 O ARG A 51 -0.329 -12.240 5.663 1.00 0.00 O ATOM 791 CB ARG A 51 1.733 -11.010 7.309 1.00 0.00 C ATOM 792 CG ARG A 51 2.691 -11.058 8.502 1.00 0.00 C ATOM 793 CD ARG A 51 2.330 -12.128 9.537 1.00 0.00 C ATOM 794 NE ARG A 51 1.109 -11.788 10.286 1.00 0.00 N ATOM 795 CZ ARG A 51 0.664 -12.388 11.394 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.218 -13.515 11.833 1.00 0.00 N ATOM 797 NH2 ARG A 51 -0.339 -11.833 12.061 1.00 0.00 N ATOM 0 H ARG A 51 3.584 -10.858 5.668 1.00 0.00 H new ATOM 0 HA ARG A 51 2.062 -13.080 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.803 -10.028 6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.711 -11.117 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.702 -11.243 8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.701 -10.083 8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.191 -13.085 9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.159 -12.251 10.234 1.00 0.00 H new ATOM 0 HE ARG A 51 0.547 -11.018 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.995 -13.934 11.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.866 -13.960 12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.756 -10.964 11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.694 -12.275 12.909 1.00 0.00 H new ATOM 811 N GLY A 52 1.080 -11.874 3.967 1.00 0.00 N ATOM 812 CA GLY A 52 0.107 -11.798 2.892 1.00 0.00 C ATOM 813 C GLY A 52 -0.537 -10.420 2.739 1.00 0.00 C ATOM 814 O GLY A 52 -1.205 -10.196 1.733 1.00 0.00 O ATOM 0 H GLY A 52 2.033 -11.732 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.593 -12.068 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.675 -12.536 3.069 1.00 0.00 H new ATOM 818 N PHE A 53 -0.338 -9.475 3.664 1.00 0.00 N ATOM 819 CA PHE A 53 -0.921 -8.140 3.645 1.00 0.00 C ATOM 820 C PHE A 53 0.191 -7.134 3.947 1.00 0.00 C ATOM 821 O PHE A 53 1.269 -7.513 4.426 1.00 0.00 O ATOM 822 CB PHE A 53 -2.086 -8.050 4.644 1.00 0.00 C ATOM 823 CG PHE A 53 -1.675 -7.728 6.068 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.901 -8.643 6.805 1.00 0.00 C ATOM 825 CD2 PHE A 53 -2.007 -6.480 6.628 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.424 -8.293 8.078 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.551 -6.143 7.914 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.755 -7.051 8.631 1.00 0.00 C ATOM 0 H PHE A 53 0.258 -9.631 4.477 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.341 -7.912 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.784 -7.287 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.624 -8.998 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.674 -9.614 6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.612 -5.781 6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.198 -8.982 8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.812 -5.190 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.396 -6.789 9.615 1.00 0.00 H new ATOM 838 N ALA A 54 -0.042 -5.864 3.633 1.00 0.00 N ATOM 839 CA ALA A 54 0.947 -4.801 3.756 1.00 0.00 C ATOM 840 C ALA A 54 0.300 -3.414 3.755 1.00 0.00 C ATOM 841 O ALA A 54 -0.928 -3.278 3.700 1.00 0.00 O ATOM 842 CB ALA A 54 1.924 -4.899 2.587 1.00 0.00 C ATOM 0 H ALA A 54 -0.942 -5.539 3.279 1.00 0.00 H new ATOM 0 HA ALA A 54 1.463 -4.927 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.669 -4.108 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.421 -5.869 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.380 -4.790 1.648 1.00 0.00 H new ATOM 848 N PHE A 55 1.133 -2.373 3.815 1.00 0.00 N ATOM 849 CA PHE A 55 0.722 -0.983 3.759 1.00 0.00 C ATOM 850 C PHE A 55 1.752 -0.199 2.937 1.00 0.00 C ATOM 851 O PHE A 55 2.951 -0.418 3.099 1.00 0.00 O ATOM 852 CB PHE A 55 0.645 -0.496 5.217 1.00 0.00 C ATOM 853 CG PHE A 55 0.472 0.992 5.403 1.00 0.00 C ATOM 854 CD1 PHE A 55 -0.565 1.653 4.731 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.363 1.722 6.210 1.00 0.00 C ATOM 856 CE1 PHE A 55 -0.668 3.050 4.793 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.274 3.122 6.258 1.00 0.00 C ATOM 858 CZ PHE A 55 0.271 3.784 5.533 1.00 0.00 C ATOM 0 H PHE A 55 2.143 -2.486 3.907 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.246 -0.843 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.186 -1.004 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.555 -0.804 5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.287 1.085 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.114 1.207 6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.467 3.559 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.976 3.689 6.852 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.222 4.863 5.545 1.00 0.00 H new ATOM 868 N VAL A 56 1.326 0.742 2.093 1.00 0.00 N ATOM 869 CA VAL A 56 2.199 1.625 1.314 1.00 0.00 C ATOM 870 C VAL A 56 1.679 3.050 1.508 1.00 0.00 C ATOM 871 O VAL A 56 0.473 3.256 1.691 1.00 0.00 O ATOM 872 CB VAL A 56 2.223 1.198 -0.174 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.088 2.119 -1.050 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.770 -0.229 -0.354 1.00 0.00 C ATOM 0 H VAL A 56 0.335 0.917 1.927 1.00 0.00 H new ATOM 0 HA VAL A 56 3.233 1.565 1.654 1.00 0.00 H new ATOM 0 HB VAL A 56 1.182 1.259 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.064 1.767 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.698 3.136 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.115 2.107 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.769 -0.488 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.788 -0.280 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.140 -0.932 0.192 1.00 0.00 H new ATOM 884 N THR A 57 2.573 4.030 1.428 1.00 0.00 N ATOM 885 CA THR A 57 2.294 5.440 1.630 1.00 0.00 C ATOM 886 C THR A 57 3.063 6.240 0.577 1.00 0.00 C ATOM 887 O THR A 57 4.238 5.966 0.304 1.00 0.00 O ATOM 888 CB THR A 57 2.684 5.867 3.055 1.00 0.00 C ATOM 889 OG1 THR A 57 2.644 4.796 3.974 1.00 0.00 O ATOM 890 CG2 THR A 57 1.739 6.933 3.589 1.00 0.00 C ATOM 0 H THR A 57 3.553 3.851 1.211 1.00 0.00 H new ATOM 0 HA THR A 57 1.227 5.632 1.519 1.00 0.00 H new ATOM 0 HB THR A 57 3.703 6.246 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.712 4.597 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.041 7.214 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.776 7.809 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.722 6.540 3.610 1.00 0.00 H new ATOM 898 N PHE A 58 2.403 7.227 -0.026 1.00 0.00 N ATOM 899 CA PHE A 58 2.968 7.994 -1.127 1.00 0.00 C ATOM 900 C PHE A 58 3.053 9.451 -0.701 1.00 0.00 C ATOM 901 O PHE A 58 2.175 9.952 0.008 1.00 0.00 O ATOM 902 CB PHE A 58 2.132 7.849 -2.404 1.00 0.00 C ATOM 903 CG PHE A 58 1.871 6.427 -2.868 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.858 5.664 -2.273 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.597 5.869 -3.926 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.636 4.330 -2.652 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.317 4.572 -4.376 1.00 0.00 C ATOM 908 CZ PHE A 58 1.363 3.779 -3.720 1.00 0.00 C ATOM 0 H PHE A 58 1.461 7.515 0.238 1.00 0.00 H new ATOM 0 HA PHE A 58 3.963 7.612 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.172 8.340 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.636 8.386 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.237 6.109 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.380 6.443 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.091 3.730 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.840 4.179 -5.235 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.190 2.760 -4.032 1.00 0.00 H new ATOM 918 N GLU A 59 4.097 10.142 -1.153 1.00 0.00 N ATOM 919 CA GLU A 59 4.456 11.489 -0.734 1.00 0.00 C ATOM 920 C GLU A 59 3.419 12.551 -1.141 1.00 0.00 C ATOM 921 O GLU A 59 3.453 13.698 -0.690 1.00 0.00 O ATOM 922 CB GLU A 59 5.803 11.788 -1.386 1.00 0.00 C ATOM 923 CG GLU A 59 6.557 12.960 -0.738 1.00 0.00 C ATOM 924 CD GLU A 59 7.183 13.835 -1.817 1.00 0.00 C ATOM 925 OE1 GLU A 59 8.274 13.485 -2.305 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.587 14.858 -2.233 1.00 0.00 O ATOM 0 H GLU A 59 4.739 9.761 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 59 4.498 11.533 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.426 10.895 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.645 12.009 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.873 13.552 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.331 12.581 -0.071 1.00 0.00 H new ATOM 933 N SER A 60 2.482 12.206 -2.019 1.00 0.00 N ATOM 934 CA SER A 60 1.370 13.061 -2.388 1.00 0.00 C ATOM 935 C SER A 60 0.133 12.182 -2.553 1.00 0.00 C ATOM 936 O SER A 60 0.242 11.063 -3.054 1.00 0.00 O ATOM 937 CB SER A 60 1.734 13.813 -3.669 1.00 0.00 C ATOM 938 OG SER A 60 2.840 14.670 -3.434 1.00 0.00 O ATOM 0 H SER A 60 2.479 11.307 -2.500 1.00 0.00 H new ATOM 0 HA SER A 60 1.155 13.807 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.976 13.103 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.879 14.395 -4.013 1.00 0.00 H new ATOM 0 HG SER A 60 3.067 15.146 -4.260 1.00 0.00 H new ATOM 944 N PRO A 61 -1.069 12.667 -2.202 1.00 0.00 N ATOM 945 CA PRO A 61 -2.289 11.873 -2.293 1.00 0.00 C ATOM 946 C PRO A 61 -2.681 11.615 -3.746 1.00 0.00 C ATOM 947 O PRO A 61 -3.386 10.653 -4.031 1.00 0.00 O ATOM 948 CB PRO A 61 -3.360 12.696 -1.588 1.00 0.00 C ATOM 949 CG PRO A 61 -2.892 14.119 -1.876 1.00 0.00 C ATOM 950 CD PRO A 61 -1.375 14.014 -1.751 1.00 0.00 C ATOM 0 HA PRO A 61 -2.157 10.892 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.355 12.503 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.401 12.486 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.193 14.449 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.307 14.832 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.873 14.762 -2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.049 14.173 -0.723 1.00 0.00 H new ATOM 958 N ALA A 62 -2.199 12.442 -4.678 1.00 0.00 N ATOM 959 CA ALA A 62 -2.324 12.191 -6.100 1.00 0.00 C ATOM 960 C ALA A 62 -1.654 10.888 -6.516 1.00 0.00 C ATOM 961 O ALA A 62 -2.023 10.328 -7.540 1.00 0.00 O ATOM 962 CB ALA A 62 -1.707 13.350 -6.863 1.00 0.00 C ATOM 0 H ALA A 62 -1.709 13.309 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.385 12.099 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.797 13.169 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.227 14.273 -6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.654 13.441 -6.597 1.00 0.00 H new ATOM 968 N ASP A 63 -0.719 10.384 -5.718 1.00 0.00 N ATOM 969 CA ASP A 63 -0.073 9.112 -5.979 1.00 0.00 C ATOM 970 C ASP A 63 -0.620 7.999 -5.078 1.00 0.00 C ATOM 971 O ASP A 63 -0.291 6.831 -5.236 1.00 0.00 O ATOM 972 CB ASP A 63 1.433 9.300 -5.860 1.00 0.00 C ATOM 973 CG ASP A 63 2.198 8.200 -6.583 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.678 7.729 -7.623 1.00 0.00 O ATOM 975 OD2 ASP A 63 3.347 7.949 -6.175 1.00 0.00 O ATOM 0 H ASP A 63 -0.390 10.850 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.297 8.783 -6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.712 10.269 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.716 9.309 -4.808 1.00 0.00 H new ATOM 980 N ALA A 64 -1.558 8.337 -4.193 1.00 0.00 N ATOM 981 CA ALA A 64 -2.298 7.398 -3.361 1.00 0.00 C ATOM 982 C ALA A 64 -3.774 7.314 -3.771 1.00 0.00 C ATOM 983 O ALA A 64 -4.576 6.739 -3.038 1.00 0.00 O ATOM 984 CB ALA A 64 -2.151 7.824 -1.901 1.00 0.00 C ATOM 0 H ALA A 64 -1.830 9.307 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.886 6.398 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.700 7.131 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.097 7.816 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.552 8.830 -1.773 1.00 0.00 H new ATOM 990 N LYS A 65 -4.167 7.913 -4.900 1.00 0.00 N ATOM 991 CA LYS A 65 -5.488 7.727 -5.508 1.00 0.00 C ATOM 992 C LYS A 65 -5.374 6.717 -6.648 1.00 0.00 C ATOM 993 O LYS A 65 -6.192 5.808 -6.744 1.00 0.00 O ATOM 994 CB LYS A 65 -6.091 9.084 -5.952 1.00 0.00 C ATOM 995 CG LYS A 65 -5.357 9.680 -7.162 1.00 0.00 C ATOM 996 CD LYS A 65 -5.687 11.113 -7.579 1.00 0.00 C ATOM 997 CE LYS A 65 -4.741 11.370 -8.764 1.00 0.00 C ATOM 998 NZ LYS A 65 -4.888 12.684 -9.400 1.00 0.00 N ATOM 0 H LYS A 65 -3.567 8.550 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.185 7.322 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.144 8.948 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.048 9.788 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.287 9.632 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.548 9.033 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.732 11.215 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.512 11.818 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.713 11.263 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.907 10.598 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.212 12.767 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.857 12.787 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.700 13.431 -8.701 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.365 6.881 -7.504 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.311 6.225 -8.804 1.00 0.00 C ATOM 1014 C ASP A 66 -3.814 4.803 -8.643 1.00 0.00 C ATOM 1015 O ASP A 66 -4.354 3.886 -9.252 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.395 6.993 -9.762 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.210 7.626 -10.883 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.781 8.720 -10.668 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.300 7.012 -11.971 1.00 0.00 O ATOM 0 H ASP A 66 -3.560 7.476 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.316 6.210 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.854 7.766 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.650 6.318 -10.182 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.836 4.605 -7.758 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.295 3.300 -7.434 1.00 0.00 C ATOM 1026 C ALA A 67 -3.407 2.341 -6.967 1.00 0.00 C ATOM 1027 O ALA A 67 -3.316 1.131 -7.189 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.190 3.472 -6.374 1.00 0.00 C ATOM 0 H ALA A 67 -2.395 5.366 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.857 2.848 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.774 2.497 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.401 4.111 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.612 3.930 -5.479 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.480 2.873 -6.361 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.641 2.111 -5.913 1.00 0.00 C ATOM 1036 C ALA A 68 -6.690 1.875 -7.010 1.00 0.00 C ATOM 1037 O ALA A 68 -7.667 1.166 -6.758 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.285 2.843 -4.730 1.00 0.00 C ATOM 0 H ALA A 68 -4.560 3.871 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.282 1.124 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.155 2.283 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.563 2.928 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.596 3.839 -5.044 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.536 2.481 -8.192 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.516 2.518 -9.276 1.00 0.00 C ATOM 1046 C ARG A 69 -6.891 2.186 -10.634 1.00 0.00 C ATOM 1047 O ARG A 69 -7.447 2.518 -11.680 1.00 0.00 O ATOM 1048 CB ARG A 69 -8.201 3.891 -9.257 1.00 0.00 C ATOM 1049 CG ARG A 69 -9.196 4.002 -8.107 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.700 5.434 -8.016 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.836 5.537 -7.085 1.00 0.00 N ATOM 1052 CZ ARG A 69 -10.994 6.456 -6.125 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -10.135 7.468 -6.010 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.018 6.343 -5.290 1.00 0.00 N ATOM 0 H ARG A 69 -5.680 2.984 -8.428 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.266 1.743 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.448 4.674 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.717 4.055 -10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.031 3.320 -8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.721 3.711 -7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.893 6.087 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.003 5.780 -9.004 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.575 4.840 -7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.350 7.546 -6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.263 8.164 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.670 5.565 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.153 7.035 -4.553 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.738 1.523 -10.637 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.222 0.826 -11.812 1.00 0.00 C ATOM 1070 C ASP A 70 -4.858 -0.621 -11.495 1.00 0.00 C ATOM 1071 O ASP A 70 -5.025 -1.495 -12.347 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.019 1.571 -12.392 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.492 0.832 -13.622 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.236 0.722 -14.619 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.350 0.315 -13.572 1.00 0.00 O ATOM 0 H ASP A 70 -5.132 1.454 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.015 0.807 -12.559 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.306 2.587 -12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.233 1.651 -11.641 1.00 0.00 H new ATOM 1080 N MET A 71 -4.405 -0.901 -10.268 1.00 0.00 N ATOM 1081 CA MET A 71 -3.804 -2.187 -9.927 1.00 0.00 C ATOM 1082 C MET A 71 -4.595 -3.010 -8.904 1.00 0.00 C ATOM 1083 O MET A 71 -4.183 -4.125 -8.577 1.00 0.00 O ATOM 1084 CB MET A 71 -2.343 -1.974 -9.490 1.00 0.00 C ATOM 1085 CG MET A 71 -1.403 -2.749 -10.419 1.00 0.00 C ATOM 1086 SD MET A 71 0.178 -3.233 -9.688 1.00 0.00 S ATOM 1087 CE MET A 71 -0.477 -4.498 -8.583 1.00 0.00 C ATOM 0 H MET A 71 -4.446 -0.243 -9.489 1.00 0.00 H new ATOM 0 HA MET A 71 -3.831 -2.795 -10.831 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.098 -0.912 -9.514 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.209 -2.309 -8.461 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.917 -3.647 -10.762 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.206 -2.139 -11.301 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.385 -4.162 -7.550 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.527 -4.675 -8.815 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.084 -5.423 -8.715 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.737 -2.522 -8.405 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.642 -3.274 -7.577 1.00 0.00 C ATOM 1099 C ASN A 72 -7.024 -4.599 -8.245 1.00 0.00 C ATOM 1100 O ASN A 72 -7.287 -4.641 -9.449 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.865 -2.380 -7.373 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.988 -3.199 -6.802 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.716 -3.871 -7.523 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.074 -3.247 -5.497 1.00 0.00 N ATOM 0 H ASN A 72 -6.051 -1.567 -8.580 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.185 -3.538 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.621 -1.558 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.168 -1.937 -8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.761 -3.856 -5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.454 -2.675 -4.924 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.076 -5.673 -7.453 1.00 0.00 N ATOM 1112 CA GLY A 73 -7.678 -6.945 -7.836 1.00 0.00 C ATOM 1113 C GLY A 73 -6.851 -7.773 -8.816 1.00 0.00 C ATOM 1114 O GLY A 73 -7.281 -8.873 -9.176 1.00 0.00 O ATOM 0 H GLY A 73 -6.692 -5.679 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.849 -7.536 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.654 -6.750 -8.280 1.00 0.00 H new ATOM 1118 N LYS A 74 -5.702 -7.275 -9.294 1.00 0.00 N ATOM 1119 CA LYS A 74 -4.930 -8.021 -10.278 1.00 0.00 C ATOM 1120 C LYS A 74 -4.295 -9.248 -9.664 1.00 0.00 C ATOM 1121 O LYS A 74 -4.022 -9.317 -8.465 1.00 0.00 O ATOM 1122 CB LYS A 74 -3.877 -7.146 -10.985 1.00 0.00 C ATOM 1123 CG LYS A 74 -4.578 -6.340 -12.079 1.00 0.00 C ATOM 1124 CD LYS A 74 -3.716 -6.022 -13.304 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.792 -4.819 -13.120 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.995 -4.567 -14.337 1.00 0.00 N ATOM 0 H LYS A 74 -5.300 -6.379 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.634 -8.351 -11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.397 -6.478 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.093 -7.769 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.459 -6.892 -12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.931 -5.403 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.113 -6.896 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.369 -5.838 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.384 -3.936 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.126 -4.995 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.377 -3.745 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.413 -5.402 -14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.633 -4.376 -15.136 1.00 0.00 H new ATOM 1140 N SER A 75 -4.027 -10.215 -10.530 1.00 0.00 N ATOM 1141 CA SER A 75 -3.173 -11.331 -10.153 1.00 0.00 C ATOM 1142 C SER A 75 -1.718 -10.877 -10.168 1.00 0.00 C ATOM 1143 O SER A 75 -1.371 -9.855 -10.768 1.00 0.00 O ATOM 1144 CB SER A 75 -3.386 -12.499 -11.105 1.00 0.00 C ATOM 1145 OG SER A 75 -2.868 -13.729 -10.655 1.00 0.00 O ATOM 0 H SER A 75 -4.383 -10.250 -11.485 1.00 0.00 H new ATOM 0 HA SER A 75 -3.429 -11.665 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.455 -12.614 -11.283 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.928 -12.257 -12.064 1.00 0.00 H new ATOM 0 HG SER A 75 -3.048 -14.424 -11.322 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.863 -11.656 -9.527 1.00 0.00 N ATOM 1152 CA LEU A 76 0.581 -11.531 -9.505 1.00 0.00 C ATOM 1153 C LEU A 76 1.099 -12.929 -9.214 1.00 0.00 C ATOM 1154 O LEU A 76 0.850 -13.448 -8.131 1.00 0.00 O ATOM 1155 CB LEU A 76 1.001 -10.516 -8.431 1.00 0.00 C ATOM 1156 CG LEU A 76 2.477 -10.090 -8.583 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.650 -8.639 -8.120 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.433 -10.993 -7.793 1.00 0.00 C ATOM 0 H LEU A 76 -1.185 -12.447 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 76 0.991 -11.160 -10.444 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.361 -9.636 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.849 -10.950 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 76 2.731 -10.185 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.694 -8.344 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.023 -7.986 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.357 -8.554 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.458 -10.650 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.180 -10.953 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.342 -12.019 -8.149 1.00 0.00 H new ATOM 1170 N ASP A 77 1.714 -13.570 -10.205 1.00 0.00 N ATOM 1171 CA ASP A 77 2.135 -14.974 -10.173 1.00 0.00 C ATOM 1172 C ASP A 77 1.024 -15.914 -9.685 1.00 0.00 C ATOM 1173 O ASP A 77 1.254 -16.855 -8.928 1.00 0.00 O ATOM 1174 CB ASP A 77 3.453 -15.153 -9.401 1.00 0.00 C ATOM 1175 CG ASP A 77 4.185 -16.445 -9.786 1.00 0.00 C ATOM 1176 OD1 ASP A 77 3.699 -17.228 -10.641 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.326 -16.632 -9.323 1.00 0.00 O ATOM 0 H ASP A 77 1.943 -13.111 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 77 2.334 -15.269 -11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.103 -14.299 -9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.246 -15.161 -8.331 1.00 0.00 H new ATOM 1182 N GLY A 78 -0.215 -15.619 -10.087 1.00 0.00 N ATOM 1183 CA GLY A 78 -1.401 -16.402 -9.782 1.00 0.00 C ATOM 1184 C GLY A 78 -2.143 -15.915 -8.534 1.00 0.00 C ATOM 1185 O GLY A 78 -3.291 -16.322 -8.317 1.00 0.00 O ATOM 0 H GLY A 78 -0.420 -14.797 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.079 -16.370 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.114 -17.444 -9.642 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.548 -15.012 -7.746 1.00 0.00 N ATOM 1190 CA LYS A 79 -2.057 -14.567 -6.446 1.00 0.00 C ATOM 1191 C LYS A 79 -2.874 -13.311 -6.665 1.00 0.00 C ATOM 1192 O LYS A 79 -2.372 -12.348 -7.239 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.923 -14.250 -5.456 1.00 0.00 C ATOM 1194 CG LYS A 79 0.093 -15.373 -5.202 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.555 -16.671 -4.699 1.00 0.00 C ATOM 1196 CE LYS A 79 0.500 -17.516 -3.967 1.00 0.00 C ATOM 1197 NZ LYS A 79 -0.060 -18.688 -3.257 1.00 0.00 N ATOM 0 H LYS A 79 -0.672 -14.558 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.656 -15.371 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.383 -13.377 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.370 -13.971 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.636 -15.579 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.826 -15.033 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.383 -16.441 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.970 -17.232 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.241 -17.860 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.024 -16.884 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.708 -19.209 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.746 -18.367 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.536 -19.312 -3.939 1.00 0.00 H new ATOM 1211 N ALA A 80 -4.138 -13.321 -6.270 1.00 0.00 N ATOM 1212 CA ALA A 80 -5.052 -12.221 -6.494 1.00 0.00 C ATOM 1213 C ALA A 80 -4.877 -11.189 -5.388 1.00 0.00 C ATOM 1214 O ALA A 80 -5.435 -11.349 -4.298 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.473 -12.765 -6.547 1.00 0.00 C ATOM 0 H ALA A 80 -4.560 -14.108 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.842 -11.728 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.171 -11.945 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.557 -13.485 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.710 -13.255 -5.603 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.112 -10.132 -5.657 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.923 -9.061 -4.691 1.00 0.00 C ATOM 1223 C ILE A 81 -5.223 -8.255 -4.533 1.00 0.00 C ATOM 1224 O ILE A 81 -6.167 -8.364 -5.322 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.702 -8.174 -5.039 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.958 -7.151 -6.169 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.445 -9.009 -5.360 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.075 -5.914 -6.015 1.00 0.00 C ATOM 0 H ILE A 81 -3.615 -9.998 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.693 -9.505 -3.723 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.525 -7.599 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.766 -7.618 -7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.007 -6.854 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.616 -8.342 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.183 -9.620 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.646 -9.656 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.282 -5.216 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.286 -5.433 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.026 -6.209 -6.048 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.254 -7.370 -3.544 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.295 -6.373 -3.320 1.00 0.00 C ATOM 1242 C LYS A 82 -5.573 -5.065 -3.055 1.00 0.00 C ATOM 1243 O LYS A 82 -4.560 -5.108 -2.362 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.093 -6.807 -2.084 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.348 -5.982 -1.807 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.643 -6.745 -2.081 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.002 -6.735 -3.567 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.349 -7.282 -3.811 1.00 0.00 N ATOM 0 H LYS A 82 -4.517 -7.326 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.977 -6.267 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.381 -7.851 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.441 -6.754 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.339 -5.657 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.327 -5.083 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.538 -7.775 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.456 -6.300 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.951 -5.714 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.267 -7.318 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.554 -7.258 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.391 -8.265 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.053 -6.710 -3.302 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.072 -3.940 -3.566 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.560 -2.616 -3.233 1.00 0.00 C ATOM 1264 C VAL A 83 -6.794 -1.799 -2.873 1.00 0.00 C ATOM 1265 O VAL A 83 -7.642 -1.587 -3.739 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.760 -1.990 -4.398 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.100 -0.682 -3.933 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.661 -2.913 -4.949 1.00 0.00 C ATOM 0 H VAL A 83 -6.848 -3.924 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.848 -2.653 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.479 -1.813 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.537 -0.245 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.869 0.018 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.424 -0.890 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.139 -2.411 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.952 -3.149 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.111 -3.834 -5.319 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.928 -1.415 -1.608 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.018 -0.599 -1.088 1.00 0.00 C ATOM 1280 C GLU A 84 -7.399 0.601 -0.368 1.00 0.00 C ATOM 1281 O GLU A 84 -6.183 0.804 -0.400 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.915 -1.430 -0.146 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.409 -2.767 -0.723 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.338 -2.668 -1.941 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.718 -1.545 -2.348 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -10.726 -3.744 -2.457 1.00 0.00 O ATOM 0 H GLU A 84 -6.253 -1.674 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.657 -0.248 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.363 -1.631 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.782 -0.829 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.540 -3.364 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.931 -3.310 0.065 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.222 1.415 0.288 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.795 2.614 0.988 1.00 0.00 C ATOM 1295 C GLN A 85 -7.976 2.418 2.492 1.00 0.00 C ATOM 1296 O GLN A 85 -9.084 2.144 2.938 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.505 3.856 0.412 1.00 0.00 C ATOM 1298 CG GLN A 85 -9.945 3.695 -0.112 1.00 0.00 C ATOM 1299 CD GLN A 85 -10.999 3.312 0.925 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -11.318 4.182 1.870 1.00 0.00 O flip ATOM 1301 NE2 GLN A 85 -11.600 2.250 0.830 1.00 0.00 N flip ATOM 0 H GLN A 85 -9.227 1.252 0.346 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.732 2.795 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.517 4.622 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.894 4.239 -0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.247 4.633 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.942 2.936 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.348 1.585 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.353 2.030 1.482 1.00 0.00 H new ATOM 1310 N ALA A 86 -6.909 2.581 3.287 1.00 0.00 N ATOM 1311 CA ALA A 86 -6.977 2.517 4.748 1.00 0.00 C ATOM 1312 C ALA A 86 -7.631 3.792 5.297 1.00 0.00 C ATOM 1313 O ALA A 86 -6.979 4.627 5.927 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.587 2.267 5.354 1.00 0.00 C ATOM 0 H ALA A 86 -5.971 2.762 2.929 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.600 1.672 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.666 2.224 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.192 1.322 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.916 3.078 5.071 1.00 0.00 H new ATOM 1320 N THR A 87 -8.922 3.949 5.021 1.00 0.00 N ATOM 1321 CA THR A 87 -9.804 5.016 5.476 1.00 0.00 C ATOM 1322 C THR A 87 -11.185 4.395 5.723 1.00 0.00 C ATOM 1323 O THR A 87 -11.383 3.203 5.481 1.00 0.00 O ATOM 1324 CB THR A 87 -9.829 6.189 4.465 1.00 0.00 C ATOM 1325 OG1 THR A 87 -9.360 5.787 3.192 1.00 0.00 O ATOM 1326 CG2 THR A 87 -8.934 7.337 4.920 1.00 0.00 C ATOM 0 H THR A 87 -9.415 3.282 4.428 1.00 0.00 H new ATOM 0 HA THR A 87 -9.444 5.455 6.406 1.00 0.00 H new ATOM 0 HB THR A 87 -10.869 6.510 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.041 5.236 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.975 8.143 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.279 7.706 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.907 6.983 5.013 1.00 0.00 H new