USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 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 51 THR OG1 : rot 180:sc= -0.653 USER MOD Set 1.2: A 69 MET CE :methyl -139:sc= -6.27! (180deg=-2.59!) USER MOD Set 2.1: A 23 THR OG1 : rot 46:sc= 0.262 USER MOD Set 2.2: A 25 HIS : no HE2:sc= -17.6! C(o=-17!,f=-22!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.2 F(o=-1.4,f=0.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.0189 K(o=0.019,f=-5.9!) USER MOD Single : A 22 MET CE :methyl -147:sc= -0.206 (180deg=-1.34!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 60:sc= -1.5! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= -2.84! (180deg=-4.55!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -0.642! (180deg=-2.37!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.141 F(o=-1.5,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -18.600 8.815 34.936 1.00 0.00 N ATOM 122 CA PRO A 9 -18.498 8.771 36.414 1.00 0.00 C ATOM 123 C PRO A 9 -19.896 8.808 37.065 1.00 0.00 C ATOM 124 O PRO A 9 -20.254 9.745 37.777 1.00 0.00 O ATOM 125 CB PRO A 9 -17.670 10.019 36.753 1.00 0.00 C ATOM 126 CG PRO A 9 -17.824 10.982 35.555 1.00 0.00 C ATOM 127 CD PRO A 9 -18.202 10.112 34.342 1.00 0.00 C ATOM 0 HA PRO A 9 -18.038 7.856 36.788 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.026 10.483 37.673 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.623 9.760 36.911 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.594 11.728 35.753 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.896 11.523 35.370 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.018 10.556 33.772 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.362 9.996 33.658 1.00 0.00 H new ATOM 135 N ILE A 10 -20.685 7.793 36.826 1.00 0.00 N ATOM 136 CA ILE A 10 -22.064 7.731 37.412 1.00 0.00 C ATOM 137 C ILE A 10 -22.087 6.709 38.551 1.00 0.00 C ATOM 138 O ILE A 10 -22.295 7.065 39.707 1.00 0.00 O ATOM 139 CB ILE A 10 -23.051 7.326 36.311 1.00 0.00 C ATOM 140 CG1 ILE A 10 -22.942 8.322 35.152 1.00 0.00 C ATOM 141 CG2 ILE A 10 -24.480 7.331 36.861 1.00 0.00 C ATOM 142 CD1 ILE A 10 -23.498 9.685 35.577 1.00 0.00 C ATOM 0 H ILE A 10 -20.433 6.994 36.244 1.00 0.00 H new ATOM 0 HA ILE A 10 -22.349 8.705 37.811 1.00 0.00 H new ATOM 0 HB ILE A 10 -22.812 6.322 35.960 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -21.901 8.424 34.846 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -23.492 7.949 34.288 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -25.175 7.042 36.072 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -24.554 6.624 37.687 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.730 8.331 37.216 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.416 10.386 34.747 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.545 9.579 35.860 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -22.929 10.061 36.427 1.00 0.00 H new ATOM 154 N SER A 11 -21.857 5.453 38.261 1.00 0.00 N ATOM 155 CA SER A 11 -21.848 4.424 39.351 1.00 0.00 C ATOM 156 C SER A 11 -20.931 4.900 40.482 1.00 0.00 C ATOM 157 O SER A 11 -21.287 4.834 41.652 1.00 0.00 O ATOM 158 CB SER A 11 -21.340 3.090 38.804 1.00 0.00 C ATOM 159 OG SER A 11 -20.240 3.330 37.931 1.00 0.00 O ATOM 0 H SER A 11 -21.676 5.095 37.323 1.00 0.00 H new ATOM 0 HA SER A 11 -22.861 4.288 39.731 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.034 2.440 39.624 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.138 2.575 38.270 1.00 0.00 H new ATOM 0 HG SER A 11 -19.910 2.477 37.579 1.00 0.00 H new ATOM 165 N GLN A 12 -19.765 5.402 40.151 1.00 0.00 N ATOM 166 CA GLN A 12 -18.830 5.908 41.207 1.00 0.00 C ATOM 167 C GLN A 12 -19.516 7.024 42.017 1.00 0.00 C ATOM 168 O GLN A 12 -19.367 7.103 43.232 1.00 0.00 O ATOM 169 CB GLN A 12 -17.556 6.443 40.547 1.00 0.00 C ATOM 170 CG GLN A 12 -16.549 5.297 40.383 1.00 0.00 C ATOM 171 CD GLN A 12 -15.176 5.736 40.890 1.00 0.00 C ATOM 172 OE1 GLN A 12 -14.419 6.373 40.168 1.00 0.00 O ATOM 173 NE2 GLN A 12 -14.811 5.431 42.096 1.00 0.00 N ATOM 0 H GLN A 12 -19.420 5.483 39.195 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.567 5.093 41.882 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.791 6.877 39.575 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.124 7.238 41.155 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.888 4.421 40.936 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.483 5.006 39.335 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.439 4.901 42.700 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.896 5.721 42.441 1.00 0.00 H new ATOM 182 N VAL A 13 -20.291 7.871 41.379 1.00 0.00 N ATOM 183 CA VAL A 13 -21.011 8.946 42.140 1.00 0.00 C ATOM 184 C VAL A 13 -21.985 8.263 43.107 1.00 0.00 C ATOM 185 O VAL A 13 -22.066 8.604 44.285 1.00 0.00 O ATOM 186 CB VAL A 13 -21.778 9.857 41.165 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.932 10.554 41.889 1.00 0.00 C ATOM 188 CG2 VAL A 13 -20.835 10.922 40.611 1.00 0.00 C ATOM 0 H VAL A 13 -20.456 7.866 40.372 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.302 9.563 42.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -22.173 9.245 40.354 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -23.467 11.195 41.188 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.615 9.805 42.290 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.537 11.158 42.706 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.379 11.566 39.921 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.440 11.521 41.432 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.011 10.440 40.084 1.00 0.00 H new ATOM 198 N HIS A 14 -22.693 7.271 42.636 1.00 0.00 N ATOM 199 CA HIS A 14 -23.623 6.523 43.523 1.00 0.00 C ATOM 200 C HIS A 14 -22.775 5.862 44.631 1.00 0.00 C ATOM 201 O HIS A 14 -23.128 5.874 45.810 1.00 0.00 O ATOM 202 CB HIS A 14 -24.335 5.449 42.689 1.00 0.00 C ATOM 203 CG HIS A 14 -25.249 6.091 41.672 1.00 0.00 C ATOM 204 ND1 HIS A 14 -25.048 7.080 40.733 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -26.572 5.704 41.531 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -26.227 7.302 40.029 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -27.112 6.449 40.547 1.00 0.00 N flip ATOM 0 H HIS A 14 -22.665 6.947 41.669 1.00 0.00 H new ATOM 0 HA HIS A 14 -24.371 7.180 43.967 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -23.598 4.825 42.183 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -24.911 4.794 43.343 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -24.169 7.574 40.578 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -27.079 4.943 42.106 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -26.391 8.013 39.233 1.00 0.00 H new ATOM 215 N GLU A 15 -21.649 5.307 44.247 1.00 0.00 N ATOM 216 CA GLU A 15 -20.711 4.647 45.199 1.00 0.00 C ATOM 217 C GLU A 15 -20.266 5.625 46.298 1.00 0.00 C ATOM 218 O GLU A 15 -20.482 5.388 47.486 1.00 0.00 O ATOM 219 CB GLU A 15 -19.484 4.207 44.395 1.00 0.00 C ATOM 220 CG GLU A 15 -18.916 2.915 44.970 1.00 0.00 C ATOM 221 CD GLU A 15 -17.422 3.089 45.265 1.00 0.00 C ATOM 222 OE1 GLU A 15 -16.668 3.291 44.323 1.00 0.00 O ATOM 223 OE2 GLU A 15 -17.057 3.022 46.426 1.00 0.00 O ATOM 0 H GLU A 15 -21.335 5.287 43.277 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.204 3.801 45.678 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.758 4.060 43.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.725 4.989 44.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.448 2.648 45.884 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.064 2.097 44.265 1.00 0.00 H new ATOM 230 N ILE A 16 -19.640 6.717 45.924 1.00 0.00 N ATOM 231 CA ILE A 16 -19.167 7.704 46.948 1.00 0.00 C ATOM 232 C ILE A 16 -20.330 8.120 47.862 1.00 0.00 C ATOM 233 O ILE A 16 -20.147 8.320 49.067 1.00 0.00 O ATOM 234 CB ILE A 16 -18.568 8.932 46.247 1.00 0.00 C ATOM 235 CG1 ILE A 16 -17.948 9.860 47.293 1.00 0.00 C ATOM 236 CG2 ILE A 16 -19.652 9.689 45.478 1.00 0.00 C ATOM 237 CD1 ILE A 16 -17.373 11.092 46.598 1.00 0.00 C ATOM 0 H ILE A 16 -19.437 6.967 44.956 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.397 7.239 47.563 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.804 8.599 45.544 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -18.701 10.158 48.023 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -17.163 9.337 47.840 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.211 10.557 44.987 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.092 9.032 44.728 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.426 10.019 46.171 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -16.930 11.755 47.341 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.608 10.784 45.885 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -18.169 11.617 46.071 1.00 0.00 H new ATOM 249 N GLY A 17 -21.522 8.238 47.326 1.00 0.00 N ATOM 250 CA GLY A 17 -22.684 8.616 48.169 1.00 0.00 C ATOM 251 C GLY A 17 -22.913 7.523 49.211 1.00 0.00 C ATOM 252 O GLY A 17 -22.872 7.775 50.413 1.00 0.00 O ATOM 0 H GLY A 17 -21.733 8.087 46.340 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.499 9.572 48.659 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.573 8.741 47.551 1.00 0.00 H new ATOM 256 N ILE A 18 -23.122 6.307 48.775 1.00 0.00 N ATOM 257 CA ILE A 18 -23.329 5.176 49.739 1.00 0.00 C ATOM 258 C ILE A 18 -21.974 4.818 50.386 1.00 0.00 C ATOM 259 O ILE A 18 -21.497 3.684 50.333 1.00 0.00 O ATOM 260 CB ILE A 18 -23.927 3.971 48.980 1.00 0.00 C ATOM 261 CG1 ILE A 18 -25.389 4.264 48.632 1.00 0.00 C ATOM 262 CG2 ILE A 18 -23.880 2.710 49.847 1.00 0.00 C ATOM 263 CD1 ILE A 18 -25.464 4.996 47.293 1.00 0.00 C ATOM 0 H ILE A 18 -23.159 6.045 47.790 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.024 5.461 50.529 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.342 3.810 48.075 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -25.954 3.333 48.581 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -25.845 4.871 49.415 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -24.306 1.872 49.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -22.845 2.485 50.106 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -24.455 2.873 50.758 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -26.506 5.203 47.049 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -24.914 5.935 47.360 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -25.025 4.374 46.513 1.00 0.00 H new ATOM 275 N LYS A 19 -21.348 5.784 51.004 1.00 0.00 N ATOM 276 CA LYS A 19 -20.031 5.543 51.665 1.00 0.00 C ATOM 277 C LYS A 19 -19.809 6.609 52.753 1.00 0.00 C ATOM 278 O LYS A 19 -19.500 6.295 53.900 1.00 0.00 O ATOM 279 CB LYS A 19 -18.920 5.621 50.612 1.00 0.00 C ATOM 280 CG LYS A 19 -17.718 4.790 51.070 1.00 0.00 C ATOM 281 CD LYS A 19 -16.827 5.638 51.982 1.00 0.00 C ATOM 282 CE LYS A 19 -15.477 4.946 52.164 1.00 0.00 C ATOM 283 NZ LYS A 19 -14.591 5.820 52.990 1.00 0.00 N ATOM 0 H LYS A 19 -21.696 6.740 51.080 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.017 4.556 52.126 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.286 5.252 49.654 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.621 6.658 50.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.058 3.901 51.601 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.149 4.447 50.206 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.684 6.628 51.550 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.309 5.779 52.950 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.612 3.980 52.650 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.018 4.754 51.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.669 5.357 53.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.456 6.732 52.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.031 5.981 53.919 1.00 0.00 H new ATOM 297 N ARG A 20 -19.973 7.864 52.409 1.00 0.00 N ATOM 298 CA ARG A 20 -19.803 8.969 53.412 1.00 0.00 C ATOM 299 C ARG A 20 -21.175 9.615 53.666 1.00 0.00 C ATOM 300 O ARG A 20 -21.568 9.853 54.804 1.00 0.00 O ATOM 301 CB ARG A 20 -18.828 10.021 52.863 1.00 0.00 C ATOM 302 CG ARG A 20 -17.891 10.511 53.980 1.00 0.00 C ATOM 303 CD ARG A 20 -18.661 11.378 54.986 1.00 0.00 C ATOM 304 NE ARG A 20 -19.106 12.651 54.329 1.00 0.00 N ATOM 305 CZ ARG A 20 -18.313 13.673 54.243 1.00 0.00 C ATOM 306 NH1 ARG A 20 -17.883 14.243 55.313 1.00 0.00 N ATOM 307 NH2 ARG A 20 -17.974 14.133 53.086 1.00 0.00 N ATOM 0 H ARG A 20 -20.219 8.175 51.469 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.402 8.569 54.343 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.243 9.595 52.048 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.384 10.862 52.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.448 9.657 54.492 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.071 11.085 53.549 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.526 10.832 55.363 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.028 11.604 55.844 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.048 12.714 53.943 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.166 13.891 56.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.259 15.047 55.247 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.330 13.692 52.238 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.350 14.937 53.020 1.00 0.00 H new ATOM 321 N ASN A 21 -21.908 9.886 52.613 1.00 0.00 N ATOM 322 CA ASN A 21 -23.265 10.497 52.751 1.00 0.00 C ATOM 323 C ASN A 21 -24.154 9.969 51.612 1.00 0.00 C ATOM 324 O ASN A 21 -24.801 8.935 51.744 1.00 0.00 O ATOM 325 CB ASN A 21 -23.151 12.029 52.674 1.00 0.00 C ATOM 326 CG ASN A 21 -22.509 12.569 53.949 1.00 0.00 C ATOM 327 OD1 ASN A 21 -21.504 13.267 53.890 1.00 0.00 O ATOM 328 ND2 ASN A 21 -23.027 12.283 55.103 1.00 0.00 N ATOM 0 H ASN A 21 -21.618 9.707 51.652 1.00 0.00 H new ATOM 0 HA ASN A 21 -23.705 10.231 53.712 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -22.555 12.314 51.808 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -24.139 12.469 52.540 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -22.598 12.639 55.957 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -23.864 11.702 55.157 1.00 0.00 H new ATOM 335 N MET A 22 -24.183 10.653 50.493 1.00 0.00 N ATOM 336 CA MET A 22 -24.997 10.200 49.329 1.00 0.00 C ATOM 337 C MET A 22 -24.758 11.154 48.155 1.00 0.00 C ATOM 338 O MET A 22 -24.032 10.836 47.222 1.00 0.00 O ATOM 339 CB MET A 22 -26.491 10.176 49.656 1.00 0.00 C ATOM 340 CG MET A 22 -26.789 10.810 51.022 1.00 0.00 C ATOM 341 SD MET A 22 -28.398 11.637 50.959 1.00 0.00 S ATOM 342 CE MET A 22 -27.779 13.332 50.806 1.00 0.00 C ATOM 0 H MET A 22 -23.667 11.519 50.338 1.00 0.00 H new ATOM 0 HA MET A 22 -24.691 9.185 49.075 1.00 0.00 H new ATOM 0 HB2 MET A 22 -27.041 10.709 48.881 1.00 0.00 H new ATOM 0 HB3 MET A 22 -26.848 9.146 49.648 1.00 0.00 H new ATOM 0 HG2 MET A 22 -26.791 10.045 51.798 1.00 0.00 H new ATOM 0 HG3 MET A 22 -26.009 11.526 51.282 1.00 0.00 H new ATOM 0 HE1 MET A 22 -28.461 14.015 51.312 1.00 0.00 H new ATOM 0 HE2 MET A 22 -26.791 13.401 51.262 1.00 0.00 H new ATOM 0 HE3 MET A 22 -27.712 13.601 49.752 1.00 0.00 H new ATOM 352 N THR A 23 -25.352 12.323 48.199 1.00 0.00 N ATOM 353 CA THR A 23 -25.169 13.330 47.100 1.00 0.00 C ATOM 354 C THR A 23 -25.197 12.665 45.729 1.00 0.00 C ATOM 355 O THR A 23 -24.164 12.407 45.119 1.00 0.00 O ATOM 356 CB THR A 23 -23.833 14.053 47.264 1.00 0.00 C ATOM 357 OG1 THR A 23 -22.803 13.117 47.547 1.00 0.00 O ATOM 358 CG2 THR A 23 -23.939 15.029 48.414 1.00 0.00 C ATOM 0 H THR A 23 -25.963 12.627 48.957 1.00 0.00 H new ATOM 0 HA THR A 23 -25.993 14.041 47.168 1.00 0.00 H new ATOM 0 HB THR A 23 -23.595 14.580 46.340 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.875 12.356 46.934 1.00 0.00 H new ATOM 0 HG21 THR A 23 -22.989 15.550 48.538 1.00 0.00 H new ATOM 0 HG22 THR A 23 -24.726 15.754 48.205 1.00 0.00 H new ATOM 0 HG23 THR A 23 -24.179 14.488 49.329 1.00 0.00 H new ATOM 366 N VAL A 24 -26.357 12.409 45.214 1.00 0.00 N ATOM 367 CA VAL A 24 -26.428 11.791 43.855 1.00 0.00 C ATOM 368 C VAL A 24 -26.089 12.869 42.815 1.00 0.00 C ATOM 369 O VAL A 24 -25.681 12.565 41.696 1.00 0.00 O ATOM 370 CB VAL A 24 -27.825 11.214 43.593 1.00 0.00 C ATOM 371 CG1 VAL A 24 -27.805 10.423 42.285 1.00 0.00 C ATOM 372 CG2 VAL A 24 -28.210 10.265 44.730 1.00 0.00 C ATOM 0 H VAL A 24 -27.254 12.595 45.662 1.00 0.00 H new ATOM 0 HA VAL A 24 -25.714 10.970 43.787 1.00 0.00 H new ATOM 0 HB VAL A 24 -28.545 12.030 43.531 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -28.796 10.011 42.094 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -27.522 11.083 41.465 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -27.083 9.610 42.362 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -29.203 9.856 44.542 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -27.487 9.451 44.785 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -28.215 10.811 45.674 1.00 0.00 H new ATOM 382 N HIS A 25 -26.210 14.130 43.183 1.00 0.00 N ATOM 383 CA HIS A 25 -25.865 15.244 42.259 1.00 0.00 C ATOM 384 C HIS A 25 -26.793 15.267 41.038 1.00 0.00 C ATOM 385 O HIS A 25 -27.654 16.135 40.924 1.00 0.00 O ATOM 386 CB HIS A 25 -24.400 15.094 41.825 1.00 0.00 C ATOM 387 CG HIS A 25 -23.526 15.065 43.026 1.00 0.00 C ATOM 388 ND1 HIS A 25 -22.772 13.966 43.396 1.00 0.00 N ATOM 389 CD2 HIS A 25 -23.295 16.005 43.954 1.00 0.00 C ATOM 390 CE1 HIS A 25 -22.122 14.294 44.529 1.00 0.00 C ATOM 391 NE2 HIS A 25 -22.410 15.536 44.911 1.00 0.00 N ATOM 0 H HIS A 25 -26.539 14.428 44.101 1.00 0.00 H new ATOM 0 HA HIS A 25 -25.999 16.192 42.781 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -24.273 14.178 41.248 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -24.116 15.922 41.176 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -22.718 13.075 42.903 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -23.737 16.990 43.955 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -21.452 13.633 45.060 1.00 0.00 H new ATOM 399 N PHE A 26 -26.616 14.342 40.136 1.00 0.00 N ATOM 400 CA PHE A 26 -27.444 14.275 38.884 1.00 0.00 C ATOM 401 C PHE A 26 -28.899 14.720 39.124 1.00 0.00 C ATOM 402 O PHE A 26 -29.711 14.002 39.705 1.00 0.00 O ATOM 403 CB PHE A 26 -27.417 12.837 38.347 1.00 0.00 C ATOM 404 CG PHE A 26 -25.997 12.311 38.365 1.00 0.00 C ATOM 405 CD1 PHE A 26 -24.921 13.171 38.099 1.00 0.00 C ATOM 406 CD2 PHE A 26 -25.757 10.964 38.659 1.00 0.00 C ATOM 407 CE1 PHE A 26 -23.612 12.680 38.126 1.00 0.00 C ATOM 408 CE2 PHE A 26 -24.447 10.476 38.686 1.00 0.00 C ATOM 409 CZ PHE A 26 -23.374 11.333 38.418 1.00 0.00 C ATOM 0 H PHE A 26 -25.914 13.606 40.211 1.00 0.00 H new ATOM 0 HA PHE A 26 -27.015 14.963 38.155 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.059 12.200 38.955 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.812 12.811 37.331 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -25.104 14.211 37.874 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -26.584 10.301 38.865 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -22.784 13.342 37.921 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -24.263 9.436 38.914 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.363 10.955 38.437 1.00 0.00 H new ATOM 419 N LYS A 27 -29.234 15.901 38.669 1.00 0.00 N ATOM 420 CA LYS A 27 -30.619 16.429 38.840 1.00 0.00 C ATOM 421 C LYS A 27 -31.002 17.258 37.601 1.00 0.00 C ATOM 422 O LYS A 27 -30.623 18.422 37.462 1.00 0.00 O ATOM 423 CB LYS A 27 -30.665 17.312 40.095 1.00 0.00 C ATOM 424 CG LYS A 27 -32.115 17.471 40.561 1.00 0.00 C ATOM 425 CD LYS A 27 -32.139 17.715 42.076 1.00 0.00 C ATOM 426 CE LYS A 27 -33.379 17.055 42.685 1.00 0.00 C ATOM 427 NZ LYS A 27 -34.518 18.024 42.659 1.00 0.00 N ATOM 0 H LYS A 27 -28.596 16.529 38.180 1.00 0.00 H new ATOM 0 HA LYS A 27 -31.324 15.605 38.951 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -30.065 16.865 40.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -30.233 18.289 39.880 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -32.587 18.304 40.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -32.688 16.576 40.316 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -31.237 17.309 42.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -32.147 18.785 42.282 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -33.638 16.156 42.126 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -33.174 16.745 43.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -35.362 17.579 43.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -34.267 18.869 43.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -34.718 18.299 41.676 1.00 0.00 H new ATOM 441 N VAL A 28 -31.739 16.682 36.690 1.00 0.00 N ATOM 442 CA VAL A 28 -32.134 17.442 35.464 1.00 0.00 C ATOM 443 C VAL A 28 -33.392 18.276 35.748 1.00 0.00 C ATOM 444 O VAL A 28 -34.516 17.790 35.652 1.00 0.00 O ATOM 445 CB VAL A 28 -32.405 16.461 34.315 1.00 0.00 C ATOM 446 CG1 VAL A 28 -32.789 17.237 33.053 1.00 0.00 C ATOM 447 CG2 VAL A 28 -31.145 15.646 34.024 1.00 0.00 C ATOM 0 H VAL A 28 -32.084 15.723 36.739 1.00 0.00 H new ATOM 0 HA VAL A 28 -31.323 18.112 35.180 1.00 0.00 H new ATOM 0 HB VAL A 28 -33.219 15.796 34.604 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -32.981 16.537 32.240 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -33.687 17.824 33.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -31.973 17.904 32.773 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -31.342 14.951 33.208 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -30.334 16.318 33.741 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -30.859 15.087 34.915 1.00 0.00 H new ATOM 457 N LEU A 29 -33.221 19.527 36.096 1.00 0.00 N ATOM 458 CA LEU A 29 -34.407 20.402 36.380 1.00 0.00 C ATOM 459 C LEU A 29 -35.171 20.688 35.075 1.00 0.00 C ATOM 460 O LEU A 29 -36.393 20.828 35.065 1.00 0.00 O ATOM 461 CB LEU A 29 -33.940 21.725 37.007 1.00 0.00 C ATOM 462 CG LEU A 29 -32.838 22.367 36.155 1.00 0.00 C ATOM 463 CD1 LEU A 29 -33.380 23.628 35.487 1.00 0.00 C ATOM 464 CD2 LEU A 29 -31.670 22.744 37.059 1.00 0.00 C ATOM 0 H LEU A 29 -32.314 19.982 36.196 1.00 0.00 H new ATOM 0 HA LEU A 29 -35.069 19.888 37.077 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -34.784 22.409 37.096 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -33.569 21.544 38.016 1.00 0.00 H new ATOM 0 HG LEU A 29 -32.508 21.663 35.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -32.597 24.084 34.882 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -34.226 23.368 34.850 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -33.705 24.334 36.251 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -30.881 23.201 36.462 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -32.009 23.452 37.816 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -31.284 21.849 37.546 1.00 0.00 H new ATOM 476 N ARG A 30 -34.468 20.774 33.978 1.00 0.00 N ATOM 477 CA ARG A 30 -35.122 21.045 32.666 1.00 0.00 C ATOM 478 C ARG A 30 -34.094 20.837 31.549 1.00 0.00 C ATOM 479 O ARG A 30 -32.951 21.275 31.657 1.00 0.00 O ATOM 480 CB ARG A 30 -35.632 22.491 32.637 1.00 0.00 C ATOM 481 CG ARG A 30 -36.739 22.624 31.588 1.00 0.00 C ATOM 482 CD ARG A 30 -37.234 24.070 31.552 1.00 0.00 C ATOM 483 NE ARG A 30 -38.563 24.117 30.867 1.00 0.00 N ATOM 484 CZ ARG A 30 -39.645 24.274 31.552 1.00 0.00 C ATOM 485 NH1 ARG A 30 -40.187 23.259 32.130 1.00 0.00 N ATOM 486 NH2 ARG A 30 -40.176 25.443 31.652 1.00 0.00 N ATOM 0 H ARG A 30 -33.455 20.666 33.935 1.00 0.00 H new ATOM 0 HA ARG A 30 -35.964 20.368 32.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -36.012 22.773 33.619 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -34.813 23.172 32.404 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -36.363 22.332 30.607 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -37.563 21.952 31.826 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -37.319 24.463 32.565 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -36.517 24.700 31.025 1.00 0.00 H new ATOM 0 HE ARG A 30 -38.614 24.024 29.852 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -39.761 22.336 32.045 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -41.042 23.378 32.673 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -39.741 26.242 31.190 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -41.031 25.570 32.193 1.00 0.00 H new ATOM 631 N PHE A 40 -27.826 20.950 27.230 1.00 0.00 N ATOM 632 CA PHE A 40 -28.528 20.217 28.335 1.00 0.00 C ATOM 633 C PHE A 40 -28.051 20.723 29.703 1.00 0.00 C ATOM 634 O PHE A 40 -26.956 20.377 30.165 1.00 0.00 O ATOM 635 CB PHE A 40 -28.225 18.720 28.222 1.00 0.00 C ATOM 636 CG PHE A 40 -29.348 18.021 27.496 1.00 0.00 C ATOM 637 CD1 PHE A 40 -29.440 18.113 26.105 1.00 0.00 C ATOM 638 CD2 PHE A 40 -30.290 17.276 28.213 1.00 0.00 C ATOM 639 CE1 PHE A 40 -30.476 17.461 25.428 1.00 0.00 C ATOM 640 CE2 PHE A 40 -31.326 16.622 27.537 1.00 0.00 C ATOM 641 CZ PHE A 40 -31.420 16.715 26.144 1.00 0.00 C ATOM 0 HA PHE A 40 -29.600 20.392 28.246 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -27.286 18.570 27.689 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -28.099 18.290 29.216 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -28.711 18.687 25.552 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -30.218 17.206 29.288 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -30.548 17.533 24.353 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -32.053 16.046 28.090 1.00 0.00 H new ATOM 0 HZ PHE A 40 -32.220 16.212 25.622 1.00 0.00 H new ATOM 651 N ILE A 41 -28.850 21.515 30.369 1.00 0.00 N ATOM 652 CA ILE A 41 -28.450 22.028 31.715 1.00 0.00 C ATOM 653 C ILE A 41 -28.658 20.918 32.749 1.00 0.00 C ATOM 654 O ILE A 41 -29.701 20.834 33.402 1.00 0.00 O ATOM 655 CB ILE A 41 -29.312 23.245 32.087 1.00 0.00 C ATOM 656 CG1 ILE A 41 -29.298 24.269 30.944 1.00 0.00 C ATOM 657 CG2 ILE A 41 -28.765 23.899 33.359 1.00 0.00 C ATOM 658 CD1 ILE A 41 -27.885 24.835 30.758 1.00 0.00 C ATOM 0 H ILE A 41 -29.763 21.829 30.040 1.00 0.00 H new ATOM 0 HA ILE A 41 -27.402 22.328 31.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -30.335 22.911 32.259 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -29.634 23.798 30.020 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -29.996 25.078 31.162 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -29.380 24.761 33.618 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -28.787 23.179 34.177 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -27.738 24.223 33.189 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -27.888 25.560 29.944 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -27.565 25.323 31.678 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -27.197 24.024 30.519 1.00 0.00 H new ATOM 670 N THR A 42 -27.692 20.060 32.925 1.00 0.00 N ATOM 671 CA THR A 42 -27.873 18.965 33.935 1.00 0.00 C ATOM 672 C THR A 42 -27.421 19.473 35.302 1.00 0.00 C ATOM 673 O THR A 42 -26.230 19.603 35.570 1.00 0.00 O ATOM 674 CB THR A 42 -27.060 17.724 33.548 1.00 0.00 C ATOM 675 OG1 THR A 42 -27.669 17.092 32.436 1.00 0.00 O ATOM 676 CG2 THR A 42 -27.025 16.739 34.714 1.00 0.00 C ATOM 0 H THR A 42 -26.801 20.062 32.428 1.00 0.00 H new ATOM 0 HA THR A 42 -28.926 18.684 33.968 1.00 0.00 H new ATOM 0 HB THR A 42 -26.044 18.030 33.297 1.00 0.00 H new ATOM 0 HG1 THR A 42 -27.150 16.299 32.186 1.00 0.00 H new ATOM 0 HG21 THR A 42 -26.446 15.860 34.431 1.00 0.00 H new ATOM 0 HG22 THR A 42 -26.563 17.215 35.579 1.00 0.00 H new ATOM 0 HG23 THR A 42 -28.042 16.437 34.966 1.00 0.00 H new ATOM 684 N ALA A 43 -28.352 19.767 36.169 1.00 0.00 N ATOM 685 CA ALA A 43 -27.993 20.276 37.526 1.00 0.00 C ATOM 686 C ALA A 43 -27.389 19.140 38.369 1.00 0.00 C ATOM 687 O ALA A 43 -27.674 17.960 38.149 1.00 0.00 O ATOM 688 CB ALA A 43 -29.263 20.811 38.205 1.00 0.00 C ATOM 0 H ALA A 43 -29.353 19.676 35.995 1.00 0.00 H new ATOM 0 HA ALA A 43 -27.256 21.075 37.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -29.014 21.186 39.198 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -29.683 21.619 37.606 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -29.994 20.008 38.293 1.00 0.00 H new ATOM 694 N CYS A 44 -26.565 19.468 39.329 1.00 0.00 N ATOM 695 CA CYS A 44 -25.955 18.407 40.190 1.00 0.00 C ATOM 696 C CYS A 44 -26.006 18.854 41.664 1.00 0.00 C ATOM 697 O CYS A 44 -25.313 19.783 42.078 1.00 0.00 O ATOM 698 CB CYS A 44 -24.503 18.136 39.761 1.00 0.00 C ATOM 699 SG CYS A 44 -24.158 18.948 38.178 1.00 0.00 S ATOM 0 H CYS A 44 -26.287 20.423 39.556 1.00 0.00 H new ATOM 0 HA CYS A 44 -26.521 17.482 40.075 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -23.816 18.503 40.524 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -24.337 17.063 39.672 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.338 20.230 38.299 1.00 0.00 H new ATOM 705 N ILE A 45 -26.832 18.223 42.460 1.00 0.00 N ATOM 706 CA ILE A 45 -26.949 18.621 43.903 1.00 0.00 C ATOM 707 C ILE A 45 -25.948 17.848 44.784 1.00 0.00 C ATOM 708 O ILE A 45 -25.904 16.611 44.786 1.00 0.00 O ATOM 709 CB ILE A 45 -28.380 18.364 44.396 1.00 0.00 C ATOM 710 CG1 ILE A 45 -28.480 18.783 45.874 1.00 0.00 C ATOM 711 CG2 ILE A 45 -28.739 16.878 44.241 1.00 0.00 C ATOM 712 CD1 ILE A 45 -28.304 17.570 46.790 1.00 0.00 C ATOM 0 H ILE A 45 -27.432 17.449 42.176 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.716 19.683 43.981 1.00 0.00 H new ATOM 0 HB ILE A 45 -29.081 18.948 43.800 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -27.718 19.529 46.099 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -29.447 19.249 46.061 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -29.756 16.711 44.595 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.668 16.594 43.191 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.047 16.273 44.827 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -28.378 17.886 47.831 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -29.083 16.837 46.577 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -27.326 17.121 46.616 1.00 0.00 H new ATOM 724 N VAL A 46 -25.159 18.561 45.553 1.00 0.00 N ATOM 725 CA VAL A 46 -24.166 17.897 46.454 1.00 0.00 C ATOM 726 C VAL A 46 -24.499 18.215 47.929 1.00 0.00 C ATOM 727 O VAL A 46 -23.890 19.077 48.564 1.00 0.00 O ATOM 728 CB VAL A 46 -22.744 18.375 46.091 1.00 0.00 C ATOM 729 CG1 VAL A 46 -22.591 19.874 46.358 1.00 0.00 C ATOM 730 CG2 VAL A 46 -21.716 17.617 46.930 1.00 0.00 C ATOM 0 H VAL A 46 -25.161 19.580 45.595 1.00 0.00 H new ATOM 0 HA VAL A 46 -24.213 16.816 46.322 1.00 0.00 H new ATOM 0 HB VAL A 46 -22.580 18.183 45.031 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.581 20.189 46.095 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.312 20.426 45.755 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -22.771 20.076 47.414 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.713 17.957 46.671 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.901 17.804 47.988 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.800 16.549 46.730 1.00 0.00 H new ATOM 740 N GLY A 47 -25.459 17.523 48.489 1.00 0.00 N ATOM 741 CA GLY A 47 -25.836 17.763 49.923 1.00 0.00 C ATOM 742 C GLY A 47 -26.545 19.113 50.068 1.00 0.00 C ATOM 743 O GLY A 47 -27.678 19.285 49.630 1.00 0.00 O ATOM 0 H GLY A 47 -26.001 16.800 48.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -26.488 16.963 50.273 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.944 17.744 50.549 1.00 0.00 H new ATOM 747 N SER A 48 -25.900 20.069 50.683 1.00 0.00 N ATOM 748 CA SER A 48 -26.535 21.416 50.866 1.00 0.00 C ATOM 749 C SER A 48 -26.054 22.395 49.780 1.00 0.00 C ATOM 750 O SER A 48 -26.394 23.577 49.803 1.00 0.00 O ATOM 751 CB SER A 48 -26.161 21.972 52.244 1.00 0.00 C ATOM 752 OG SER A 48 -26.161 20.910 53.196 1.00 0.00 O ATOM 0 H SER A 48 -24.960 19.979 51.068 1.00 0.00 H new ATOM 0 HA SER A 48 -27.616 21.304 50.787 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.178 22.441 52.205 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.871 22.744 52.543 1.00 0.00 H new ATOM 0 HG SER A 48 -25.920 21.262 54.078 1.00 0.00 H new ATOM 758 N ILE A 49 -25.276 21.936 48.832 1.00 0.00 N ATOM 759 CA ILE A 49 -24.784 22.846 47.752 1.00 0.00 C ATOM 760 C ILE A 49 -25.275 22.329 46.392 1.00 0.00 C ATOM 761 O ILE A 49 -25.524 21.135 46.214 1.00 0.00 O ATOM 762 CB ILE A 49 -23.248 22.882 47.774 1.00 0.00 C ATOM 763 CG1 ILE A 49 -22.750 23.248 49.178 1.00 0.00 C ATOM 764 CG2 ILE A 49 -22.735 23.922 46.776 1.00 0.00 C ATOM 765 CD1 ILE A 49 -23.246 24.646 49.563 1.00 0.00 C ATOM 0 H ILE A 49 -24.960 20.969 48.759 1.00 0.00 H new ATOM 0 HA ILE A 49 -25.167 23.853 47.915 1.00 0.00 H new ATOM 0 HB ILE A 49 -22.874 21.896 47.500 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -23.106 22.515 49.902 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -21.661 23.219 49.205 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.645 23.941 46.798 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -23.073 23.662 45.773 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -23.120 24.905 47.045 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.888 24.897 50.561 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -22.868 25.376 48.847 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -24.336 24.660 49.555 1.00 0.00 H new ATOM 777 N VAL A 50 -25.420 23.196 45.428 1.00 0.00 N ATOM 778 CA VAL A 50 -25.895 22.747 44.081 1.00 0.00 C ATOM 779 C VAL A 50 -25.053 23.413 42.989 1.00 0.00 C ATOM 780 O VAL A 50 -24.656 24.572 43.105 1.00 0.00 O ATOM 781 CB VAL A 50 -27.370 23.125 43.871 1.00 0.00 C ATOM 782 CG1 VAL A 50 -28.046 22.065 43.002 1.00 0.00 C ATOM 783 CG2 VAL A 50 -28.100 23.205 45.217 1.00 0.00 C ATOM 0 H VAL A 50 -25.231 24.195 45.511 1.00 0.00 H new ATOM 0 HA VAL A 50 -25.793 21.663 44.026 1.00 0.00 H new ATOM 0 HB VAL A 50 -27.415 24.098 43.382 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -29.092 22.331 42.852 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -27.543 22.011 42.037 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -27.986 21.096 43.497 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -29.143 23.474 45.050 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -28.050 22.237 45.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -27.626 23.961 45.843 1.00 0.00 H new ATOM 793 N THR A 51 -24.790 22.699 41.932 1.00 0.00 N ATOM 794 CA THR A 51 -23.984 23.269 40.804 1.00 0.00 C ATOM 795 C THR A 51 -24.497 22.684 39.484 1.00 0.00 C ATOM 796 O THR A 51 -24.720 21.481 39.368 1.00 0.00 O ATOM 797 CB THR A 51 -22.500 22.917 40.983 1.00 0.00 C ATOM 798 OG1 THR A 51 -22.072 23.327 42.273 1.00 0.00 O ATOM 799 CG2 THR A 51 -21.668 23.644 39.929 1.00 0.00 C ATOM 0 H THR A 51 -25.099 21.737 41.795 1.00 0.00 H new ATOM 0 HA THR A 51 -24.087 24.354 40.796 1.00 0.00 H new ATOM 0 HB THR A 51 -22.370 21.840 40.873 1.00 0.00 H new ATOM 0 HG1 THR A 51 -21.125 23.102 42.390 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.616 23.392 40.059 1.00 0.00 H new ATOM 0 HG22 THR A 51 -21.994 23.339 38.934 1.00 0.00 H new ATOM 0 HG23 THR A 51 -21.800 24.720 40.040 1.00 0.00 H new ATOM 807 N GLU A 52 -24.713 23.509 38.498 1.00 0.00 N ATOM 808 CA GLU A 52 -25.246 23.001 37.197 1.00 0.00 C ATOM 809 C GLU A 52 -24.137 22.383 36.336 1.00 0.00 C ATOM 810 O GLU A 52 -22.956 22.737 36.438 1.00 0.00 O ATOM 811 CB GLU A 52 -25.900 24.160 36.437 1.00 0.00 C ATOM 812 CG GLU A 52 -27.356 24.318 36.901 1.00 0.00 C ATOM 813 CD GLU A 52 -27.411 24.455 38.425 1.00 0.00 C ATOM 814 OE1 GLU A 52 -27.098 25.526 38.914 1.00 0.00 O ATOM 815 OE2 GLU A 52 -27.756 23.483 39.074 1.00 0.00 O ATOM 0 H GLU A 52 -24.544 24.514 38.534 1.00 0.00 H new ATOM 0 HA GLU A 52 -25.979 22.222 37.407 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -25.348 25.083 36.614 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -25.867 23.970 35.364 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -27.802 25.196 36.433 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -27.942 23.455 36.584 1.00 0.00 H new ATOM 822 N GLY A 53 -24.510 21.470 35.479 1.00 0.00 N ATOM 823 CA GLY A 53 -23.524 20.803 34.571 1.00 0.00 C ATOM 824 C GLY A 53 -23.789 21.266 33.139 1.00 0.00 C ATOM 825 O GLY A 53 -24.789 20.894 32.524 1.00 0.00 O ATOM 0 H GLY A 53 -25.472 21.151 35.366 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.506 21.055 34.868 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.618 19.719 34.642 1.00 0.00 H new ATOM 829 N GLU A 54 -22.930 22.084 32.601 1.00 0.00 N ATOM 830 CA GLU A 54 -23.148 22.590 31.215 1.00 0.00 C ATOM 831 C GLU A 54 -22.644 21.573 30.182 1.00 0.00 C ATOM 832 O GLU A 54 -21.578 21.735 29.580 1.00 0.00 O ATOM 833 CB GLU A 54 -22.419 23.920 31.017 1.00 0.00 C ATOM 834 CG GLU A 54 -22.581 24.821 32.258 1.00 0.00 C ATOM 835 CD GLU A 54 -21.379 24.694 33.201 1.00 0.00 C ATOM 836 OE1 GLU A 54 -20.803 23.613 33.288 1.00 0.00 O ATOM 837 OE2 GLU A 54 -21.082 25.661 33.877 1.00 0.00 O ATOM 0 H GLU A 54 -22.085 22.425 33.060 1.00 0.00 H new ATOM 0 HA GLU A 54 -24.218 22.739 31.072 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -21.361 23.736 30.831 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.814 24.429 30.138 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -22.691 25.859 31.944 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.493 24.550 32.790 1.00 0.00 H new ATOM 844 N GLY A 55 -23.390 20.526 29.957 1.00 0.00 N ATOM 845 CA GLY A 55 -22.957 19.505 28.951 1.00 0.00 C ATOM 846 C GLY A 55 -23.842 19.585 27.699 1.00 0.00 C ATOM 847 O GLY A 55 -25.005 19.976 27.759 1.00 0.00 O ATOM 0 H GLY A 55 -24.277 20.331 30.422 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.914 19.671 28.679 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -23.018 18.507 29.385 1.00 0.00 H new ATOM 943 N LYS A 62 -24.278 14.651 31.697 1.00 0.00 N ATOM 944 CA LYS A 62 -24.122 13.813 32.933 1.00 0.00 C ATOM 945 C LYS A 62 -22.630 13.587 33.261 1.00 0.00 C ATOM 946 O LYS A 62 -22.259 13.442 34.423 1.00 0.00 O ATOM 947 CB LYS A 62 -24.845 12.463 32.758 1.00 0.00 C ATOM 948 CG LYS A 62 -24.224 11.656 31.611 1.00 0.00 C ATOM 949 CD LYS A 62 -24.085 10.186 32.036 1.00 0.00 C ATOM 950 CE LYS A 62 -25.471 9.576 32.273 1.00 0.00 C ATOM 951 NZ LYS A 62 -25.337 8.366 33.135 1.00 0.00 N ATOM 0 HA LYS A 62 -24.575 14.348 33.768 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -24.786 11.891 33.684 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -25.902 12.635 32.556 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -24.848 11.731 30.720 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -23.247 12.065 31.352 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -23.558 9.624 31.265 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -23.488 10.117 32.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -26.125 10.306 32.750 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -25.931 9.309 31.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -26.121 7.711 32.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -24.433 7.894 32.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -25.364 8.648 34.136 1.00 0.00 H new ATOM 965 N LYS A 63 -21.766 13.569 32.273 1.00 0.00 N ATOM 966 CA LYS A 63 -20.308 13.367 32.555 1.00 0.00 C ATOM 967 C LYS A 63 -19.723 14.650 33.164 1.00 0.00 C ATOM 968 O LYS A 63 -19.211 14.647 34.282 1.00 0.00 O ATOM 969 CB LYS A 63 -19.570 13.040 31.250 1.00 0.00 C ATOM 970 CG LYS A 63 -19.736 11.555 30.914 1.00 0.00 C ATOM 971 CD LYS A 63 -19.103 11.272 29.547 1.00 0.00 C ATOM 972 CE LYS A 63 -17.627 10.895 29.724 1.00 0.00 C ATOM 973 NZ LYS A 63 -17.489 9.410 29.838 1.00 0.00 N ATOM 0 H LYS A 63 -22.006 13.685 31.288 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.187 12.541 33.256 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.962 13.651 30.437 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.512 13.283 31.350 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.263 10.942 31.681 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.793 11.289 30.900 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.637 10.462 29.050 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.189 12.151 28.908 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.046 11.259 28.876 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.225 11.376 30.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.486 9.163 29.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.029 9.073 30.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.856 8.960 28.975 1.00 0.00 H new ATOM 987 N ARG A 64 -19.802 15.745 32.450 1.00 0.00 N ATOM 988 CA ARG A 64 -19.267 17.040 32.972 1.00 0.00 C ATOM 989 C ARG A 64 -19.987 17.408 34.276 1.00 0.00 C ATOM 990 O ARG A 64 -19.369 17.874 35.234 1.00 0.00 O ATOM 991 CB ARG A 64 -19.492 18.138 31.926 1.00 0.00 C ATOM 992 CG ARG A 64 -18.480 19.269 32.144 1.00 0.00 C ATOM 993 CD ARG A 64 -17.226 19.002 31.310 1.00 0.00 C ATOM 994 NE ARG A 64 -16.446 20.272 31.176 1.00 0.00 N ATOM 995 CZ ARG A 64 -16.366 20.866 30.033 1.00 0.00 C ATOM 996 NH1 ARG A 64 -17.259 21.732 29.700 1.00 0.00 N ATOM 997 NH2 ARG A 64 -15.393 20.592 29.235 1.00 0.00 N ATOM 0 H ARG A 64 -20.218 15.797 31.520 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.200 16.941 33.171 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.383 17.727 30.923 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.508 18.525 32.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.921 20.225 31.861 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.219 19.339 33.200 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.615 18.234 31.785 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.503 18.625 30.325 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.977 20.669 31.990 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -18.025 21.946 30.338 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.200 22.204 28.798 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.688 19.907 29.507 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -15.328 21.060 28.331 1.00 0.00 H new ATOM 1011 N ALA A 65 -21.279 17.196 34.337 1.00 0.00 N ATOM 1012 CA ALA A 65 -22.038 17.514 35.583 1.00 0.00 C ATOM 1013 C ALA A 65 -21.450 16.704 36.754 1.00 0.00 C ATOM 1014 O ALA A 65 -21.224 17.227 37.847 1.00 0.00 O ATOM 1015 CB ALA A 65 -23.510 17.140 35.382 1.00 0.00 C ATOM 0 H ALA A 65 -21.840 16.816 33.575 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.961 18.578 35.806 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -24.071 17.369 36.288 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.920 17.710 34.548 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.589 16.074 35.167 1.00 0.00 H new ATOM 1021 N ALA A 66 -21.192 15.436 36.537 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.613 14.582 37.619 1.00 0.00 C ATOM 1023 C ALA A 66 -19.191 15.047 37.942 1.00 0.00 C ATOM 1024 O ALA A 66 -18.866 15.308 39.097 1.00 0.00 O ATOM 1025 CB ALA A 66 -20.587 13.121 37.155 1.00 0.00 C ATOM 0 H ALA A 66 -21.359 14.955 35.653 1.00 0.00 H new ATOM 0 HA ALA A 66 -21.227 14.668 38.515 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.165 12.497 37.943 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.602 12.791 36.935 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.975 13.035 36.257 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.344 15.161 36.952 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.943 15.619 37.208 1.00 0.00 C ATOM 1033 C GLU A 67 -16.972 16.931 38.001 1.00 0.00 C ATOM 1034 O GLU A 67 -16.287 17.083 39.008 1.00 0.00 O ATOM 1035 CB GLU A 67 -16.227 15.836 35.870 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.581 14.519 35.419 1.00 0.00 C ATOM 1037 CD GLU A 67 -14.306 14.263 36.225 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -14.417 13.732 37.319 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -13.244 14.602 35.734 1.00 0.00 O ATOM 0 H GLU A 67 -18.561 14.957 35.976 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.409 14.863 37.784 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.935 16.183 35.118 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.467 16.610 35.973 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.281 13.695 35.557 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.347 14.564 34.355 1.00 0.00 H new ATOM 1046 N LYS A 68 -17.767 17.874 37.573 1.00 0.00 N ATOM 1047 CA LYS A 68 -17.859 19.177 38.304 1.00 0.00 C ATOM 1048 C LYS A 68 -18.123 18.933 39.794 1.00 0.00 C ATOM 1049 O LYS A 68 -17.427 19.462 40.657 1.00 0.00 O ATOM 1050 CB LYS A 68 -19.010 19.999 37.725 1.00 0.00 C ATOM 1051 CG LYS A 68 -18.463 21.017 36.729 1.00 0.00 C ATOM 1052 CD LYS A 68 -19.635 21.726 36.059 1.00 0.00 C ATOM 1053 CE LYS A 68 -19.675 23.191 36.483 1.00 0.00 C ATOM 1054 NZ LYS A 68 -20.854 23.815 35.840 1.00 0.00 N ATOM 0 H LYS A 68 -18.360 17.801 36.746 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.917 19.713 38.190 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.727 19.342 37.232 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.544 20.510 38.526 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.826 21.740 37.239 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.845 20.520 35.981 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.541 21.656 34.975 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.570 21.235 36.330 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.743 23.273 37.568 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.760 23.701 36.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.663 24.822 35.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.049 23.339 34.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.680 23.722 36.465 1.00 0.00 H new ATOM 1068 N MET A 69 -19.119 18.149 40.112 1.00 0.00 N ATOM 1069 CA MET A 69 -19.434 17.882 41.548 1.00 0.00 C ATOM 1070 C MET A 69 -18.378 16.951 42.163 1.00 0.00 C ATOM 1071 O MET A 69 -17.746 17.286 43.163 1.00 0.00 O ATOM 1072 CB MET A 69 -20.821 17.236 41.640 1.00 0.00 C ATOM 1073 CG MET A 69 -21.739 18.118 42.486 1.00 0.00 C ATOM 1074 SD MET A 69 -21.883 19.749 41.724 1.00 0.00 S ATOM 1075 CE MET A 69 -22.449 20.629 43.200 1.00 0.00 C ATOM 0 H MET A 69 -19.728 17.682 39.441 1.00 0.00 H new ATOM 0 HA MET A 69 -19.427 18.821 42.102 1.00 0.00 H new ATOM 0 HB2 MET A 69 -21.241 17.107 40.642 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.743 16.243 42.083 1.00 0.00 H new ATOM 0 HG2 MET A 69 -22.723 17.658 42.573 1.00 0.00 H new ATOM 0 HG3 MET A 69 -21.341 18.211 43.496 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.235 21.332 42.925 1.00 0.00 H new ATOM 0 HE2 MET A 69 -22.839 19.913 43.923 1.00 0.00 H new ATOM 0 HE3 MET A 69 -21.614 21.173 43.642 1.00 0.00 H new ATOM 1085 N LEU A 70 -18.178 15.792 41.589 1.00 0.00 N ATOM 1086 CA LEU A 70 -17.168 14.829 42.139 1.00 0.00 C ATOM 1087 C LEU A 70 -15.819 15.531 42.348 1.00 0.00 C ATOM 1088 O LEU A 70 -15.190 15.386 43.393 1.00 0.00 O ATOM 1089 CB LEU A 70 -16.989 13.660 41.162 1.00 0.00 C ATOM 1090 CG LEU A 70 -18.148 12.664 41.300 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -17.786 11.374 40.567 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -18.402 12.343 42.776 1.00 0.00 C ATOM 0 H LEU A 70 -18.672 15.467 40.758 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.525 14.456 43.099 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.944 14.036 40.140 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.043 13.156 41.358 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.048 13.105 40.871 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.605 10.661 40.660 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -17.612 11.591 39.513 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.883 10.949 41.004 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.227 11.635 42.858 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -17.504 11.906 43.213 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.656 13.259 43.309 1.00 0.00 H new ATOM 1104 N VAL A 71 -15.358 16.281 41.381 1.00 0.00 N ATOM 1105 CA VAL A 71 -14.048 16.991 41.535 1.00 0.00 C ATOM 1106 C VAL A 71 -14.130 17.957 42.728 1.00 0.00 C ATOM 1107 O VAL A 71 -13.229 18.014 43.562 1.00 0.00 O ATOM 1108 CB VAL A 71 -13.733 17.773 40.249 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -12.553 18.718 40.484 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -13.367 16.794 39.132 1.00 0.00 C ATOM 0 H VAL A 71 -15.830 16.434 40.490 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.255 16.264 41.714 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.612 18.352 39.966 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.338 19.267 39.567 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.803 19.422 41.278 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.676 18.140 40.775 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.144 17.349 38.221 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.492 16.215 39.428 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.204 16.120 38.951 1.00 0.00 H new ATOM 1120 N GLU A 72 -15.196 18.710 42.823 1.00 0.00 N ATOM 1121 CA GLU A 72 -15.353 19.676 43.957 1.00 0.00 C ATOM 1122 C GLU A 72 -15.441 18.924 45.300 1.00 0.00 C ATOM 1123 O GLU A 72 -14.679 19.194 46.230 1.00 0.00 O ATOM 1124 CB GLU A 72 -16.633 20.491 43.737 1.00 0.00 C ATOM 1125 CG GLU A 72 -16.439 21.918 44.265 1.00 0.00 C ATOM 1126 CD GLU A 72 -17.743 22.705 44.121 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -18.007 23.183 43.029 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -18.454 22.815 45.105 1.00 0.00 O ATOM 0 H GLU A 72 -15.971 18.698 42.160 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.487 20.337 43.989 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.880 20.517 42.676 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.470 20.015 44.248 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.134 21.890 45.311 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.641 22.415 43.713 1.00 0.00 H new ATOM 1135 N LEU A 73 -16.355 17.993 45.425 1.00 0.00 N ATOM 1136 CA LEU A 73 -16.496 17.240 46.719 1.00 0.00 C ATOM 1137 C LEU A 73 -15.346 16.234 46.932 1.00 0.00 C ATOM 1138 O LEU A 73 -15.282 15.568 47.961 1.00 0.00 O ATOM 1139 CB LEU A 73 -17.837 16.501 46.748 1.00 0.00 C ATOM 1140 CG LEU A 73 -17.951 15.557 45.554 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -17.798 14.114 46.023 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.323 15.740 44.922 1.00 0.00 C ATOM 0 H LEU A 73 -17.009 17.720 44.692 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.454 17.969 47.528 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.928 15.936 47.676 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.656 17.220 46.731 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.169 15.780 44.828 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.880 13.443 45.168 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.823 13.986 46.493 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.582 13.881 46.744 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.421 15.072 44.066 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.095 15.507 45.655 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.437 16.772 44.591 1.00 0.00 H new ATOM 1154 N GLN A 74 -14.435 16.102 46.003 1.00 0.00 N ATOM 1155 CA GLN A 74 -13.310 15.137 46.206 1.00 0.00 C ATOM 1156 C GLN A 74 -12.371 15.637 47.324 1.00 0.00 C ATOM 1157 O GLN A 74 -11.518 14.895 47.811 1.00 0.00 O ATOM 1158 CB GLN A 74 -12.527 14.980 44.899 1.00 0.00 C ATOM 1159 CG GLN A 74 -12.572 13.511 44.464 1.00 0.00 C ATOM 1160 CD GLN A 74 -12.196 13.387 42.988 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -12.993 13.861 42.084 1.00 0.00 O flip ATOM 1162 NE2 GLN A 74 -11.156 12.840 42.650 1.00 0.00 N flip ATOM 0 H GLN A 74 -14.419 16.614 45.121 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.720 14.171 46.501 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.956 15.615 44.124 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.494 15.300 45.038 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.885 12.923 45.073 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.571 13.106 44.628 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.524 12.465 43.357 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.920 12.759 41.661 1.00 0.00 H new ATOM 1171 N LYS A 75 -12.506 16.875 47.737 1.00 0.00 N ATOM 1172 CA LYS A 75 -11.621 17.412 48.819 1.00 0.00 C ATOM 1173 C LYS A 75 -12.456 18.052 49.952 1.00 0.00 C ATOM 1174 O LYS A 75 -11.898 18.571 50.923 1.00 0.00 O ATOM 1175 CB LYS A 75 -10.695 18.468 48.213 1.00 0.00 C ATOM 1176 CG LYS A 75 -9.409 18.559 49.040 1.00 0.00 C ATOM 1177 CD LYS A 75 -8.911 20.007 49.056 1.00 0.00 C ATOM 1178 CE LYS A 75 -8.016 20.226 50.276 1.00 0.00 C ATOM 1179 NZ LYS A 75 -7.757 21.689 50.438 1.00 0.00 N ATOM 0 H LYS A 75 -13.191 17.537 47.371 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.043 16.592 49.244 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.458 18.209 47.181 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.195 19.436 48.192 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.594 18.216 50.058 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.646 17.906 48.617 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.357 20.222 48.142 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.757 20.693 49.085 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.496 19.828 51.170 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.075 19.689 50.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.148 21.844 51.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.283 22.054 49.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.659 22.188 50.573 1.00 0.00 H new ATOM 1193 N LEU A 76 -13.763 18.041 49.844 1.00 0.00 N ATOM 1194 CA LEU A 76 -14.622 18.651 50.892 1.00 0.00 C ATOM 1195 C LEU A 76 -15.716 17.646 51.329 1.00 0.00 C ATOM 1196 O LEU A 76 -16.537 17.278 50.498 1.00 0.00 O ATOM 1197 CB LEU A 76 -15.269 19.907 50.304 1.00 0.00 C ATOM 1198 CG LEU A 76 -14.196 20.953 49.983 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -14.791 22.039 49.092 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -13.692 21.591 51.275 1.00 0.00 C ATOM 1201 OXT LEU A 76 -15.715 17.259 52.491 1.00 0.00 O ATOM 0 H LEU A 76 -14.272 17.629 49.062 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.025 18.910 51.766 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.821 19.651 49.399 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.989 20.319 51.011 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.368 20.466 49.469 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.027 22.782 48.865 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.150 21.593 48.165 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.622 22.519 49.609 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.929 22.334 51.041 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.522 22.074 51.790 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -13.264 20.822 51.918 1.00 0.00 H new