USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 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 41 THR OG1 : rot 160:sc= -1.27! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 176:sc= 0.658 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.0912 (180deg=-0.38) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -5.11! C(o=-5.1!,f=-12!) USER MOD Single : A 26 SER OG : rot -10:sc= 0.0593 USER MOD Single : A 31 MET CE :methyl 165:sc= -6.49! (180deg=-7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 90:sc= -0.237 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.39 K(o=-1.4,f=-2) USER MOD Single : A 59 THR OG1 : rot -17:sc= 0.207 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.0255 (180deg=-0.179) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 88:sc= 1.05 USER MOD Single : A 77 ASN : amide:sc= -3.66 K(o=-3.7,f=-1.7) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= -1.14! (180deg=-2.28!) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.182 1.264 -8.349 1.00 0.00 N ATOM 103 CA VAL A 5 -9.725 1.188 -8.452 1.00 0.00 C ATOM 104 C VAL A 5 -9.073 0.801 -7.133 1.00 0.00 C ATOM 105 O VAL A 5 -7.874 0.604 -7.092 1.00 0.00 O ATOM 106 CB VAL A 5 -9.088 2.503 -8.946 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.857 3.462 -7.790 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.780 2.266 -9.685 1.00 0.00 C ATOM 0 HA VAL A 5 -9.540 0.409 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.794 2.948 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.407 4.382 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.809 3.692 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.189 3.001 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.369 3.221 -10.013 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.070 1.775 -9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.962 1.632 -10.553 1.00 0.00 H new ATOM 118 N LYS A 6 -9.833 0.704 -6.046 1.00 0.00 N ATOM 119 CA LYS A 6 -9.224 0.349 -4.771 1.00 0.00 C ATOM 120 C LYS A 6 -8.277 -0.824 -4.985 1.00 0.00 C ATOM 121 O LYS A 6 -7.106 -0.765 -4.618 1.00 0.00 O ATOM 122 CB LYS A 6 -10.299 -0.021 -3.747 1.00 0.00 C ATOM 123 CG LYS A 6 -9.755 -0.701 -2.499 1.00 0.00 C ATOM 124 CD LYS A 6 -10.866 -1.054 -1.525 1.00 0.00 C ATOM 125 CE LYS A 6 -10.339 -1.861 -0.350 1.00 0.00 C ATOM 126 NZ LYS A 6 -9.761 -3.163 -0.785 1.00 0.00 N ATOM 0 H LYS A 6 -10.841 0.861 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.669 1.204 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.833 0.883 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.026 -0.681 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.217 -1.606 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.037 -0.043 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.335 -0.141 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.638 -1.624 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.578 -1.283 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.148 -2.041 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.695 -3.804 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.372 -3.589 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.812 -3.007 -1.180 1.00 0.00 H new ATOM 140 N GLU A 7 -8.783 -1.863 -5.627 1.00 0.00 N ATOM 141 CA GLU A 7 -7.976 -3.030 -5.941 1.00 0.00 C ATOM 142 C GLU A 7 -7.069 -2.764 -7.149 1.00 0.00 C ATOM 143 O GLU A 7 -6.035 -3.405 -7.298 1.00 0.00 O ATOM 144 CB GLU A 7 -8.867 -4.244 -6.207 1.00 0.00 C ATOM 145 CG GLU A 7 -8.092 -5.508 -6.543 1.00 0.00 C ATOM 146 CD GLU A 7 -8.997 -6.694 -6.807 1.00 0.00 C ATOM 147 OE1 GLU A 7 -9.764 -7.071 -5.896 1.00 0.00 O ATOM 148 OE2 GLU A 7 -8.940 -7.247 -7.926 1.00 0.00 O ATOM 0 H GLU A 7 -9.751 -1.922 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.344 -3.241 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.485 -4.430 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.544 -4.014 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.472 -5.327 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.418 -5.746 -5.720 1.00 0.00 H new ATOM 155 N ASP A 8 -7.476 -1.837 -8.028 1.00 0.00 N ATOM 156 CA ASP A 8 -6.693 -1.522 -9.229 1.00 0.00 C ATOM 157 C ASP A 8 -5.368 -0.832 -8.887 1.00 0.00 C ATOM 158 O ASP A 8 -4.294 -1.293 -9.283 1.00 0.00 O ATOM 159 CB ASP A 8 -7.515 -0.664 -10.179 1.00 0.00 C ATOM 160 CG ASP A 8 -8.606 -1.452 -10.880 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.719 -2.668 -10.621 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.345 -0.853 -11.689 1.00 0.00 O ATOM 0 H ASP A 8 -8.336 -1.297 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.447 -2.464 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.966 0.158 -9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.856 -0.220 -10.925 1.00 0.00 H new ATOM 167 N ILE A 9 -5.443 0.241 -8.107 1.00 0.00 N ATOM 168 CA ILE A 9 -4.259 0.957 -7.664 1.00 0.00 C ATOM 169 C ILE A 9 -3.468 0.044 -6.748 1.00 0.00 C ATOM 170 O ILE A 9 -2.247 -0.067 -6.855 1.00 0.00 O ATOM 171 CB ILE A 9 -4.634 2.276 -6.939 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.945 3.369 -7.962 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.526 2.727 -5.995 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.352 4.687 -7.337 1.00 0.00 C ATOM 0 H ILE A 9 -6.321 0.634 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.656 1.233 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.524 2.089 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.067 3.529 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.745 3.025 -8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.822 3.654 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.353 1.957 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.610 2.893 -6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.557 5.414 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.248 4.542 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.544 5.055 -6.704 1.00 0.00 H new ATOM 186 N ARG A 10 -4.193 -0.649 -5.876 1.00 0.00 N ATOM 187 CA ARG A 10 -3.583 -1.605 -4.972 1.00 0.00 C ATOM 188 C ARG A 10 -2.886 -2.675 -5.793 1.00 0.00 C ATOM 189 O ARG A 10 -1.904 -3.272 -5.358 1.00 0.00 O ATOM 190 CB ARG A 10 -4.645 -2.249 -4.080 1.00 0.00 C ATOM 191 CG ARG A 10 -4.097 -2.761 -2.766 1.00 0.00 C ATOM 192 CD ARG A 10 -3.672 -1.605 -1.888 1.00 0.00 C ATOM 193 NE ARG A 10 -2.301 -1.748 -1.406 1.00 0.00 N ATOM 194 CZ ARG A 10 -1.664 -0.822 -0.691 1.00 0.00 C ATOM 195 NH1 ARG A 10 -2.218 0.365 -0.486 1.00 0.00 N ATOM 196 NH2 ARG A 10 -0.456 -1.067 -0.204 1.00 0.00 N ATOM 0 H ARG A 10 -5.205 -0.563 -5.780 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.863 -1.093 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.430 -1.520 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.108 -3.076 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.855 -3.355 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.247 -3.418 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.762 -0.674 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.348 -1.531 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.801 -2.608 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.137 0.573 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.725 1.070 0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.010 -1.968 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.028 -0.355 0.343 1.00 0.00 H new ATOM 210 N GLY A 11 -3.393 -2.888 -7.007 1.00 0.00 N ATOM 211 CA GLY A 11 -2.791 -3.862 -7.892 1.00 0.00 C ATOM 212 C GLY A 11 -1.396 -3.426 -8.242 1.00 0.00 C ATOM 213 O GLY A 11 -0.446 -4.208 -8.193 1.00 0.00 O ATOM 0 H GLY A 11 -4.206 -2.404 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.768 -4.840 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.389 -3.965 -8.797 1.00 0.00 H new ATOM 217 N GLN A 12 -1.279 -2.142 -8.549 1.00 0.00 N ATOM 218 CA GLN A 12 0.002 -1.541 -8.862 1.00 0.00 C ATOM 219 C GLN A 12 0.905 -1.602 -7.634 1.00 0.00 C ATOM 220 O GLN A 12 2.130 -1.629 -7.749 1.00 0.00 O ATOM 221 CB GLN A 12 -0.191 -0.083 -9.286 1.00 0.00 C ATOM 222 CG GLN A 12 -1.098 0.091 -10.491 1.00 0.00 C ATOM 223 CD GLN A 12 -1.187 1.534 -10.949 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.181 2.147 -11.305 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.395 2.084 -10.942 1.00 0.00 N ATOM 0 H GLN A 12 -2.066 -1.494 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 12 0.463 -2.090 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.605 0.477 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.783 0.352 -9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.729 -0.525 -11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.096 -0.271 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.202 1.539 -10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.516 3.052 -11.240 1.00 0.00 H new ATOM 234 N ILE A 13 0.275 -1.611 -6.458 1.00 0.00 N ATOM 235 CA ILE A 13 0.991 -1.654 -5.190 1.00 0.00 C ATOM 236 C ILE A 13 1.561 -3.041 -4.906 1.00 0.00 C ATOM 237 O ILE A 13 2.740 -3.173 -4.594 1.00 0.00 O ATOM 238 CB ILE A 13 0.075 -1.214 -4.030 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.326 0.252 -4.217 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.754 -1.424 -2.683 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.229 0.780 -3.127 1.00 0.00 C ATOM 0 H ILE A 13 -0.740 -1.589 -6.362 1.00 0.00 H new ATOM 0 HA ILE A 13 1.826 -0.958 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.824 -1.831 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.575 0.863 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.829 0.362 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.084 -1.105 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.992 -2.480 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.672 -0.838 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.470 1.824 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.148 0.194 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.722 0.704 -2.165 1.00 0.00 H new ATOM 253 N ILE A 14 0.730 -4.075 -5.019 1.00 0.00 N ATOM 254 CA ILE A 14 1.191 -5.438 -4.775 1.00 0.00 C ATOM 255 C ILE A 14 2.416 -5.741 -5.635 1.00 0.00 C ATOM 256 O ILE A 14 3.441 -6.205 -5.131 1.00 0.00 O ATOM 257 CB ILE A 14 0.067 -6.473 -5.034 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.799 -6.635 -3.779 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.638 -7.820 -5.461 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.020 -7.093 -2.566 1.00 0.00 C ATOM 0 H ILE A 14 -0.254 -3.996 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 14 1.471 -5.517 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.552 -6.101 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.281 -5.684 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.592 -7.354 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.177 -8.522 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.213 -7.697 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.288 -8.205 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.694 -7.187 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.440 -8.059 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.756 -6.363 -2.335 1.00 0.00 H new ATOM 272 N GLY A 15 2.320 -5.439 -6.926 1.00 0.00 N ATOM 273 CA GLY A 15 3.446 -5.652 -7.813 1.00 0.00 C ATOM 274 C GLY A 15 4.618 -4.786 -7.402 1.00 0.00 C ATOM 275 O GLY A 15 5.775 -5.199 -7.477 1.00 0.00 O ATOM 0 H GLY A 15 1.487 -5.053 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.738 -6.702 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.157 -5.420 -8.838 1.00 0.00 H new ATOM 279 N ALA A 16 4.296 -3.579 -6.948 1.00 0.00 N ATOM 280 CA ALA A 16 5.294 -2.623 -6.490 1.00 0.00 C ATOM 281 C ALA A 16 6.033 -3.154 -5.263 1.00 0.00 C ATOM 282 O ALA A 16 7.187 -2.808 -5.019 1.00 0.00 O ATOM 283 CB ALA A 16 4.625 -1.290 -6.168 1.00 0.00 C ATOM 0 H ALA A 16 3.337 -3.238 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 16 6.023 -2.474 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.377 -0.579 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.139 -0.901 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.881 -1.436 -5.385 1.00 0.00 H new ATOM 289 N LEU A 17 5.348 -3.998 -4.498 1.00 0.00 N ATOM 290 CA LEU A 17 5.906 -4.588 -3.293 1.00 0.00 C ATOM 291 C LEU A 17 6.831 -5.740 -3.644 1.00 0.00 C ATOM 292 O LEU A 17 7.788 -6.031 -2.925 1.00 0.00 O ATOM 293 CB LEU A 17 4.773 -5.078 -2.388 1.00 0.00 C ATOM 294 CG LEU A 17 3.909 -3.970 -1.776 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.626 -4.544 -1.193 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.690 -3.220 -0.706 1.00 0.00 C ATOM 0 H LEU A 17 4.391 -4.290 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 17 6.486 -3.831 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.130 -5.743 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.203 -5.671 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 17 3.640 -3.270 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.029 -3.739 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.057 -5.038 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.871 -5.267 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.063 -2.436 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.988 -3.914 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.579 -2.773 -1.151 1.00 0.00 H new ATOM 308 N ALA A 18 6.534 -6.389 -4.760 1.00 0.00 N ATOM 309 CA ALA A 18 7.335 -7.517 -5.225 1.00 0.00 C ATOM 310 C ALA A 18 8.809 -7.134 -5.342 1.00 0.00 C ATOM 311 O ALA A 18 9.142 -6.059 -5.839 1.00 0.00 O ATOM 312 CB ALA A 18 6.811 -8.019 -6.562 1.00 0.00 C ATOM 0 H ALA A 18 5.744 -6.156 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 18 7.252 -8.318 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.417 -8.860 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.775 -8.340 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.864 -7.217 -7.298 1.00 0.00 H new ATOM 318 N GLY A 19 9.689 -8.021 -4.879 1.00 0.00 N ATOM 319 CA GLY A 19 11.116 -7.750 -4.943 1.00 0.00 C ATOM 320 C GLY A 19 11.716 -7.429 -3.585 1.00 0.00 C ATOM 321 O GLY A 19 12.871 -7.760 -3.318 1.00 0.00 O ATOM 0 H GLY A 19 9.440 -8.918 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.627 -8.615 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.292 -6.914 -5.620 1.00 0.00 H new ATOM 325 N ALA A 20 10.932 -6.779 -2.732 1.00 0.00 N ATOM 326 CA ALA A 20 11.384 -6.402 -1.393 1.00 0.00 C ATOM 327 C ALA A 20 11.987 -7.587 -0.655 1.00 0.00 C ATOM 328 O ALA A 20 12.036 -8.698 -1.179 1.00 0.00 O ATOM 329 CB ALA A 20 10.222 -5.836 -0.591 1.00 0.00 C ATOM 0 H ALA A 20 9.974 -6.500 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 20 12.157 -5.642 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.568 -5.558 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.826 -4.955 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.438 -6.589 -0.506 1.00 0.00 H new ATOM 335 N ASP A 21 12.416 -7.340 0.580 1.00 0.00 N ATOM 336 CA ASP A 21 12.983 -8.383 1.425 1.00 0.00 C ATOM 337 C ASP A 21 11.950 -9.494 1.592 1.00 0.00 C ATOM 338 O ASP A 21 11.464 -10.036 0.600 1.00 0.00 O ATOM 339 CB ASP A 21 13.370 -7.784 2.775 1.00 0.00 C ATOM 340 CG ASP A 21 14.588 -6.883 2.680 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.128 -6.729 1.564 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.001 -6.333 3.723 1.00 0.00 O ATOM 0 H ASP A 21 12.380 -6.420 1.018 1.00 0.00 H new ATOM 0 HA ASP A 21 13.880 -8.802 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.530 -7.214 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.571 -8.589 3.482 1.00 0.00 H new ATOM 347 N PHE A 22 11.560 -9.813 2.826 1.00 0.00 N ATOM 348 CA PHE A 22 10.535 -10.818 3.017 1.00 0.00 C ATOM 349 C PHE A 22 9.275 -10.287 2.365 1.00 0.00 C ATOM 350 O PHE A 22 9.321 -9.227 1.739 1.00 0.00 O ATOM 351 CB PHE A 22 10.338 -11.134 4.518 1.00 0.00 C ATOM 352 CG PHE A 22 9.139 -10.497 5.196 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.539 -9.350 4.703 1.00 0.00 C ATOM 354 CD2 PHE A 22 8.594 -11.085 6.331 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.436 -8.813 5.316 1.00 0.00 C ATOM 356 CE2 PHE A 22 7.481 -10.542 6.946 1.00 0.00 C ATOM 357 CZ PHE A 22 6.903 -9.404 6.431 1.00 0.00 C ATOM 0 H PHE A 22 11.931 -9.399 3.681 1.00 0.00 H new ATOM 0 HA PHE A 22 10.818 -11.765 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.258 -12.215 4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.236 -10.823 5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.945 -8.872 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.046 -11.978 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.984 -7.917 4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.067 -11.009 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.031 -8.978 6.905 1.00 0.00 H new ATOM 367 N PRO A 23 8.135 -10.961 2.471 1.00 0.00 N ATOM 368 CA PRO A 23 6.927 -10.447 1.855 1.00 0.00 C ATOM 369 C PRO A 23 6.437 -9.139 2.506 1.00 0.00 C ATOM 370 O PRO A 23 5.321 -9.096 3.021 1.00 0.00 O ATOM 371 CB PRO A 23 5.917 -11.578 2.039 1.00 0.00 C ATOM 372 CG PRO A 23 6.407 -12.331 3.225 1.00 0.00 C ATOM 373 CD PRO A 23 7.908 -12.249 3.162 1.00 0.00 C ATOM 0 HA PRO A 23 7.085 -10.181 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.912 -11.189 2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.871 -12.216 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.029 -11.896 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.069 -13.367 3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.356 -12.260 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.336 -13.086 2.610 1.00 0.00 H new ATOM 381 N ILE A 24 7.276 -8.069 2.442 1.00 0.00 N ATOM 382 CA ILE A 24 6.942 -6.725 2.977 1.00 0.00 C ATOM 383 C ILE A 24 7.704 -6.325 4.252 1.00 0.00 C ATOM 384 O ILE A 24 7.099 -6.111 5.304 1.00 0.00 O ATOM 385 CB ILE A 24 5.431 -6.566 3.213 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.700 -6.706 1.882 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.118 -5.229 3.866 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.215 -5.765 0.820 1.00 0.00 C ATOM 0 H ILE A 24 8.202 -8.117 2.017 1.00 0.00 H new ATOM 0 HA ILE A 24 7.272 -6.043 2.194 1.00 0.00 H new ATOM 0 HB ILE A 24 5.092 -7.347 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.797 -7.732 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.637 -6.522 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.043 -5.143 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.630 -5.164 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.457 -4.420 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.654 -5.915 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.093 -4.735 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.271 -5.964 0.638 1.00 0.00 H new ATOM 400 N ASN A 25 9.019 -6.194 4.152 1.00 0.00 N ATOM 401 CA ASN A 25 9.839 -5.787 5.298 1.00 0.00 C ATOM 402 C ASN A 25 9.494 -4.380 5.760 1.00 0.00 C ATOM 403 O ASN A 25 10.319 -3.472 5.653 1.00 0.00 O ATOM 404 CB ASN A 25 11.310 -5.821 4.925 1.00 0.00 C ATOM 405 CG ASN A 25 11.959 -7.144 5.264 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.524 -8.203 4.813 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.012 -7.082 6.071 1.00 0.00 N ATOM 0 H ASN A 25 9.545 -6.362 3.295 1.00 0.00 H new ATOM 0 HA ASN A 25 9.634 -6.487 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.416 -5.630 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.833 -5.019 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.498 -7.937 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.335 -6.179 6.419 1.00 0.00 H new ATOM 414 N SER A 26 8.281 -4.186 6.254 1.00 0.00 N ATOM 415 CA SER A 26 7.859 -2.869 6.698 1.00 0.00 C ATOM 416 C SER A 26 7.943 -1.901 5.530 1.00 0.00 C ATOM 417 O SER A 26 8.739 -2.091 4.612 1.00 0.00 O ATOM 418 CB SER A 26 8.726 -2.371 7.856 1.00 0.00 C ATOM 419 OG SER A 26 10.019 -1.998 7.414 1.00 0.00 O ATOM 0 H SER A 26 7.578 -4.918 6.357 1.00 0.00 H new ATOM 0 HA SER A 26 6.831 -2.932 7.056 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.243 -1.518 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.810 -3.153 8.611 1.00 0.00 H new ATOM 0 HG SER A 26 10.141 -2.280 6.483 1.00 0.00 H new ATOM 425 N PRO A 27 7.116 -0.862 5.524 1.00 0.00 N ATOM 426 CA PRO A 27 7.115 0.102 4.437 1.00 0.00 C ATOM 427 C PRO A 27 8.514 0.560 4.060 1.00 0.00 C ATOM 428 O PRO A 27 8.768 0.883 2.909 1.00 0.00 O ATOM 429 CB PRO A 27 6.270 1.252 4.977 1.00 0.00 C ATOM 430 CG PRO A 27 5.350 0.608 5.961 1.00 0.00 C ATOM 431 CD PRO A 27 6.109 -0.550 6.551 1.00 0.00 C ATOM 0 HA PRO A 27 6.718 -0.321 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.891 2.012 5.452 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.715 1.746 4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.053 1.314 6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.436 0.267 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.574 -0.283 7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.456 -1.401 6.744 1.00 0.00 H new ATOM 439 N GLU A 28 9.423 0.570 5.020 1.00 0.00 N ATOM 440 CA GLU A 28 10.796 0.977 4.749 1.00 0.00 C ATOM 441 C GLU A 28 11.387 0.147 3.611 1.00 0.00 C ATOM 442 O GLU A 28 11.843 0.678 2.595 1.00 0.00 O ATOM 443 CB GLU A 28 11.654 0.796 6.003 1.00 0.00 C ATOM 444 CG GLU A 28 11.090 1.484 7.236 1.00 0.00 C ATOM 445 CD GLU A 28 11.979 1.319 8.454 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.148 1.756 8.400 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.506 0.751 9.461 1.00 0.00 O ATOM 0 H GLU A 28 9.240 0.304 5.987 1.00 0.00 H new ATOM 0 HA GLU A 28 10.790 2.027 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.760 -0.269 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.654 1.184 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.959 2.546 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.102 1.078 7.454 1.00 0.00 H new ATOM 454 N GLU A 29 11.379 -1.163 3.801 1.00 0.00 N ATOM 455 CA GLU A 29 11.923 -2.090 2.825 1.00 0.00 C ATOM 456 C GLU A 29 11.046 -2.241 1.598 1.00 0.00 C ATOM 457 O GLU A 29 11.500 -2.031 0.478 1.00 0.00 O ATOM 458 CB GLU A 29 12.052 -3.438 3.457 1.00 0.00 C ATOM 459 CG GLU A 29 12.806 -4.418 2.582 1.00 0.00 C ATOM 460 CD GLU A 29 14.216 -3.954 2.273 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.004 -3.772 3.225 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.533 -3.773 1.078 1.00 0.00 O ATOM 0 H GLU A 29 10.996 -1.611 4.634 1.00 0.00 H new ATOM 0 HA GLU A 29 12.885 -1.687 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.566 -3.340 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.058 -3.834 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.847 -5.387 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.261 -4.561 1.649 1.00 0.00 H new ATOM 469 N LEU A 30 9.792 -2.633 1.804 1.00 0.00 N ATOM 470 CA LEU A 30 8.876 -2.830 0.693 1.00 0.00 C ATOM 471 C LEU A 30 8.895 -1.594 -0.194 1.00 0.00 C ATOM 472 O LEU A 30 8.900 -1.697 -1.423 1.00 0.00 O ATOM 473 CB LEU A 30 7.471 -3.133 1.211 1.00 0.00 C ATOM 474 CG LEU A 30 6.760 -1.970 1.895 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.032 -1.109 0.878 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.792 -2.480 2.948 1.00 0.00 C ATOM 0 H LEU A 30 9.392 -2.818 2.724 1.00 0.00 H new ATOM 0 HA LEU A 30 9.192 -3.687 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.859 -3.469 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.533 -3.963 1.915 1.00 0.00 H new ATOM 0 HG LEU A 30 7.513 -1.355 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.532 -0.286 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.748 -0.709 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.292 -1.713 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.295 -1.635 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.047 -3.121 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.339 -3.050 3.699 1.00 0.00 H new ATOM 488 N MET A 31 8.985 -0.423 0.433 1.00 0.00 N ATOM 489 CA MET A 31 9.092 0.813 -0.322 1.00 0.00 C ATOM 490 C MET A 31 10.428 0.830 -1.041 1.00 0.00 C ATOM 491 O MET A 31 10.547 1.375 -2.138 1.00 0.00 O ATOM 492 CB MET A 31 8.975 2.053 0.571 1.00 0.00 C ATOM 493 CG MET A 31 7.549 2.395 0.964 1.00 0.00 C ATOM 494 SD MET A 31 7.428 3.940 1.888 1.00 0.00 S ATOM 495 CE MET A 31 8.433 3.574 3.324 1.00 0.00 C ATOM 0 H MET A 31 8.986 -0.309 1.447 1.00 0.00 H new ATOM 0 HA MET A 31 8.266 0.848 -1.033 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.563 1.894 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.413 2.905 0.052 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.937 2.466 0.065 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.139 1.584 1.566 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.671 4.500 3.847 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.884 2.911 3.993 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.356 3.088 3.008 1.00 0.00 H new ATOM 505 N ALA A 32 11.440 0.210 -0.424 1.00 0.00 N ATOM 506 CA ALA A 32 12.758 0.156 -1.038 1.00 0.00 C ATOM 507 C ALA A 32 12.740 -0.740 -2.273 1.00 0.00 C ATOM 508 O ALA A 32 13.510 -0.542 -3.212 1.00 0.00 O ATOM 509 CB ALA A 32 13.792 -0.329 -0.038 1.00 0.00 C ATOM 0 H ALA A 32 11.369 -0.251 0.483 1.00 0.00 H new ATOM 0 HA ALA A 32 13.032 1.163 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.772 -0.363 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.825 0.354 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.523 -1.327 0.309 1.00 0.00 H new ATOM 515 N ALA A 33 11.860 -1.736 -2.252 1.00 0.00 N ATOM 516 CA ALA A 33 11.736 -2.684 -3.351 1.00 0.00 C ATOM 517 C ALA A 33 11.105 -2.060 -4.588 1.00 0.00 C ATOM 518 O ALA A 33 11.496 -2.372 -5.713 1.00 0.00 O ATOM 519 CB ALA A 33 10.916 -3.876 -2.906 1.00 0.00 C ATOM 0 H ALA A 33 11.218 -1.907 -1.478 1.00 0.00 H new ATOM 0 HA ALA A 33 12.743 -3.000 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.825 -4.583 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.408 -4.362 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.924 -3.542 -2.603 1.00 0.00 H new ATOM 525 N LEU A 34 10.108 -1.200 -4.380 1.00 0.00 N ATOM 526 CA LEU A 34 9.401 -0.557 -5.489 1.00 0.00 C ATOM 527 C LEU A 34 10.348 -0.180 -6.636 1.00 0.00 C ATOM 528 O LEU A 34 11.502 0.184 -6.415 1.00 0.00 O ATOM 529 CB LEU A 34 8.609 0.656 -4.993 1.00 0.00 C ATOM 530 CG LEU A 34 7.198 0.323 -4.487 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.254 -0.664 -3.333 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.449 1.579 -4.069 1.00 0.00 C ATOM 0 H LEU A 34 9.772 -0.932 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 34 8.695 -1.282 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.167 1.136 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.530 1.381 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 34 6.655 -0.138 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.242 -0.884 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.733 -1.585 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.827 -0.232 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.454 1.309 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.995 2.079 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.361 2.251 -4.923 1.00 0.00 H new ATOM 544 N PRO A 35 9.860 -0.305 -7.888 1.00 0.00 N ATOM 545 CA PRO A 35 10.638 -0.029 -9.106 1.00 0.00 C ATOM 546 C PRO A 35 11.403 1.293 -9.079 1.00 0.00 C ATOM 547 O PRO A 35 12.536 1.364 -9.554 1.00 0.00 O ATOM 548 CB PRO A 35 9.578 -0.005 -10.222 1.00 0.00 C ATOM 549 CG PRO A 35 8.253 -0.088 -9.533 1.00 0.00 C ATOM 550 CD PRO A 35 8.509 -0.767 -8.224 1.00 0.00 C ATOM 0 HA PRO A 35 11.416 -0.782 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.654 0.908 -10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.714 -0.841 -10.908 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.830 0.905 -9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.537 -0.652 -10.131 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.781 -0.477 -7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.461 -1.852 -8.313 1.00 0.00 H new ATOM 605 N THR A 40 7.475 4.188 -5.347 1.00 0.00 N ATOM 606 CA THR A 40 6.730 4.700 -6.492 1.00 0.00 C ATOM 607 C THR A 40 5.255 4.888 -6.155 1.00 0.00 C ATOM 608 O THR A 40 4.634 4.025 -5.534 1.00 0.00 O ATOM 609 CB THR A 40 6.856 3.773 -7.718 1.00 0.00 C ATOM 610 OG1 THR A 40 6.152 4.334 -8.831 1.00 0.00 O ATOM 611 CG2 THR A 40 6.306 2.387 -7.416 1.00 0.00 C ATOM 0 HA THR A 40 7.168 5.667 -6.738 1.00 0.00 H new ATOM 0 HB THR A 40 7.914 3.680 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.238 3.740 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.408 1.755 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.862 1.947 -6.588 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.253 2.465 -7.145 1.00 0.00 H new ATOM 619 N THR A 41 4.701 6.025 -6.562 1.00 0.00 N ATOM 620 CA THR A 41 3.300 6.330 -6.296 1.00 0.00 C ATOM 621 C THR A 41 2.382 5.668 -7.322 1.00 0.00 C ATOM 622 O THR A 41 2.549 5.854 -8.527 1.00 0.00 O ATOM 623 CB THR A 41 3.044 7.848 -6.319 1.00 0.00 C ATOM 624 OG1 THR A 41 4.039 8.531 -5.548 1.00 0.00 O ATOM 625 CG2 THR A 41 1.665 8.167 -5.763 1.00 0.00 C ATOM 0 H THR A 41 5.200 6.750 -7.077 1.00 0.00 H new ATOM 0 HA THR A 41 3.079 5.938 -5.303 1.00 0.00 H new ATOM 0 HB THR A 41 3.096 8.185 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.072 9.473 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.503 9.245 -5.788 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.905 7.672 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.597 7.813 -4.734 1.00 0.00 H new ATOM 633 N CYS A 42 1.400 4.912 -6.837 1.00 0.00 N ATOM 634 CA CYS A 42 0.445 4.247 -7.718 1.00 0.00 C ATOM 635 C CYS A 42 -0.794 5.117 -7.905 1.00 0.00 C ATOM 636 O CYS A 42 -1.926 4.646 -7.780 1.00 0.00 O ATOM 637 CB CYS A 42 0.048 2.878 -7.157 1.00 0.00 C ATOM 638 SG CYS A 42 1.441 1.752 -6.911 1.00 0.00 S ATOM 0 H CYS A 42 1.245 4.745 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 42 0.922 4.096 -8.686 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.463 3.021 -6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.667 2.412 -7.835 1.00 0.00 H new ATOM 0 HG CYS A 42 1.919 1.909 -5.712 1.00 0.00 H new ATOM 644 N LYS A 43 -0.570 6.395 -8.194 1.00 0.00 N ATOM 645 CA LYS A 43 -1.659 7.345 -8.388 1.00 0.00 C ATOM 646 C LYS A 43 -2.333 7.141 -9.741 1.00 0.00 C ATOM 647 O LYS A 43 -1.681 6.789 -10.724 1.00 0.00 O ATOM 648 CB LYS A 43 -1.135 8.778 -8.276 1.00 0.00 C ATOM 649 CG LYS A 43 -0.050 9.110 -9.288 1.00 0.00 C ATOM 650 CD LYS A 43 0.426 10.546 -9.142 1.00 0.00 C ATOM 651 CE LYS A 43 1.518 10.875 -10.148 1.00 0.00 C ATOM 652 NZ LYS A 43 2.711 10.000 -9.978 1.00 0.00 N ATOM 0 H LYS A 43 0.361 6.798 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.401 7.172 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.966 9.471 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.743 8.935 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.792 8.431 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.431 8.953 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.415 11.225 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.801 10.705 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.126 10.762 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.814 11.918 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.512 10.399 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.958 9.941 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.497 9.048 -10.338 1.00 0.00 H new ATOM 712 N GLU A 48 -3.737 9.683 -5.324 1.00 0.00 N ATOM 713 CA GLU A 48 -2.416 9.080 -5.186 1.00 0.00 C ATOM 714 C GLU A 48 -2.364 8.157 -3.972 1.00 0.00 C ATOM 715 O GLU A 48 -2.841 8.508 -2.894 1.00 0.00 O ATOM 716 CB GLU A 48 -1.345 10.165 -5.054 1.00 0.00 C ATOM 717 CG GLU A 48 -1.478 11.284 -6.075 1.00 0.00 C ATOM 718 CD GLU A 48 -0.403 12.342 -5.920 1.00 0.00 C ATOM 719 OE1 GLU A 48 0.791 11.999 -6.044 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.757 13.515 -5.673 1.00 0.00 O ATOM 0 HA GLU A 48 -2.221 8.491 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.395 10.592 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.362 9.706 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.427 10.863 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.458 11.749 -5.974 1.00 0.00 H new ATOM 727 N LEU A 49 -1.781 6.974 -4.155 1.00 0.00 N ATOM 728 CA LEU A 49 -1.666 6.000 -3.073 1.00 0.00 C ATOM 729 C LEU A 49 -0.298 5.328 -3.080 1.00 0.00 C ATOM 730 O LEU A 49 0.217 4.951 -4.133 1.00 0.00 O ATOM 731 CB LEU A 49 -2.756 4.928 -3.183 1.00 0.00 C ATOM 732 CG LEU A 49 -4.192 5.415 -2.976 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.332 6.123 -1.636 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.625 6.323 -4.117 1.00 0.00 C ATOM 0 H LEU A 49 -1.381 6.667 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.789 6.543 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.687 4.467 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.548 4.148 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.849 4.545 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.360 6.461 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.075 5.434 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.661 6.982 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.649 6.657 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.964 7.189 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.573 5.775 -5.058 1.00 0.00 H new ATOM 746 N LYS A 50 0.280 5.174 -1.894 1.00 0.00 N ATOM 747 CA LYS A 50 1.584 4.540 -1.749 1.00 0.00 C ATOM 748 C LYS A 50 1.977 4.445 -0.281 1.00 0.00 C ATOM 749 O LYS A 50 1.468 5.184 0.560 1.00 0.00 O ATOM 750 CB LYS A 50 2.653 5.299 -2.533 1.00 0.00 C ATOM 751 CG LYS A 50 2.830 6.740 -2.093 1.00 0.00 C ATOM 752 CD LYS A 50 3.989 7.399 -2.822 1.00 0.00 C ATOM 753 CE LYS A 50 4.087 8.880 -2.495 1.00 0.00 C ATOM 754 NZ LYS A 50 5.244 9.523 -3.175 1.00 0.00 N ATOM 0 H LYS A 50 -0.137 5.481 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 50 1.511 3.532 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.605 4.778 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.394 5.282 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.913 7.297 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.006 6.776 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.920 6.903 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.863 7.271 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.166 9.380 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.182 9.008 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.237 10.545 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.129 9.109 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.176 9.365 -4.201 1.00 0.00 H new ATOM 768 N ALA A 51 2.879 3.519 0.021 1.00 0.00 N ATOM 769 CA ALA A 51 3.340 3.304 1.390 1.00 0.00 C ATOM 770 C ALA A 51 3.715 4.616 2.079 1.00 0.00 C ATOM 771 O ALA A 51 3.471 4.794 3.270 1.00 0.00 O ATOM 772 CB ALA A 51 4.524 2.349 1.392 1.00 0.00 C ATOM 0 H ALA A 51 3.309 2.901 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 51 2.517 2.865 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.863 2.193 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.223 1.395 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.336 2.774 0.802 1.00 0.00 H new ATOM 778 N SER A 52 4.316 5.532 1.337 1.00 0.00 N ATOM 779 CA SER A 52 4.720 6.811 1.906 1.00 0.00 C ATOM 780 C SER A 52 3.513 7.599 2.420 1.00 0.00 C ATOM 781 O SER A 52 3.503 8.056 3.563 1.00 0.00 O ATOM 782 CB SER A 52 5.483 7.634 0.869 1.00 0.00 C ATOM 783 OG SER A 52 5.833 8.908 1.383 1.00 0.00 O ATOM 0 H SER A 52 4.534 5.417 0.347 1.00 0.00 H new ATOM 0 HA SER A 52 5.375 6.608 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.384 7.100 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.871 7.755 -0.025 1.00 0.00 H new ATOM 0 HG SER A 52 6.321 9.413 0.700 1.00 0.00 H new ATOM 789 N ASP A 53 2.506 7.765 1.568 1.00 0.00 N ATOM 790 CA ASP A 53 1.303 8.509 1.935 1.00 0.00 C ATOM 791 C ASP A 53 0.421 7.738 2.918 1.00 0.00 C ATOM 792 O ASP A 53 0.055 8.258 3.972 1.00 0.00 O ATOM 793 CB ASP A 53 0.494 8.852 0.684 1.00 0.00 C ATOM 794 CG ASP A 53 1.257 9.746 -0.273 1.00 0.00 C ATOM 795 OD1 ASP A 53 1.653 10.856 0.138 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.458 9.334 -1.434 1.00 0.00 O ATOM 0 H ASP A 53 2.498 7.395 0.618 1.00 0.00 H new ATOM 0 HA ASP A 53 1.631 9.423 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.215 7.931 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.432 9.346 0.978 1.00 0.00 H new ATOM 801 N ALA A 54 0.060 6.511 2.554 1.00 0.00 N ATOM 802 CA ALA A 54 -0.807 5.686 3.392 1.00 0.00 C ATOM 803 C ALA A 54 -0.021 4.800 4.357 1.00 0.00 C ATOM 804 O ALA A 54 -0.377 4.686 5.530 1.00 0.00 O ATOM 805 CB ALA A 54 -1.716 4.835 2.522 1.00 0.00 C ATOM 0 H ALA A 54 0.354 6.065 1.685 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.407 6.364 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.358 4.224 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.332 5.482 1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.111 4.188 1.887 1.00 0.00 H new ATOM 811 N GLY A 55 1.038 4.162 3.859 1.00 0.00 N ATOM 812 CA GLY A 55 1.842 3.282 4.698 1.00 0.00 C ATOM 813 C GLY A 55 2.153 3.882 6.057 1.00 0.00 C ATOM 814 O GLY A 55 2.324 3.158 7.037 1.00 0.00 O ATOM 0 H GLY A 55 1.354 4.238 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.315 2.338 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.776 3.053 4.185 1.00 0.00 H new ATOM 818 N GLN A 56 2.211 5.212 6.119 1.00 0.00 N ATOM 819 CA GLN A 56 2.489 5.919 7.370 1.00 0.00 C ATOM 820 C GLN A 56 1.685 5.321 8.521 1.00 0.00 C ATOM 821 O GLN A 56 2.124 5.326 9.671 1.00 0.00 O ATOM 822 CB GLN A 56 2.143 7.401 7.223 1.00 0.00 C ATOM 823 CG GLN A 56 0.719 7.646 6.752 1.00 0.00 C ATOM 824 CD GLN A 56 0.409 9.120 6.577 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.048 9.811 5.784 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.578 9.609 7.319 1.00 0.00 N ATOM 0 H GLN A 56 2.069 5.824 5.315 1.00 0.00 H new ATOM 0 HA GLN A 56 3.551 5.813 7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.291 7.898 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.835 7.859 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.559 7.130 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.023 7.215 7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.081 9.000 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.833 10.594 7.244 1.00 0.00 H new ATOM 835 N VAL A 57 0.504 4.814 8.193 1.00 0.00 N ATOM 836 CA VAL A 57 -0.385 4.211 9.178 1.00 0.00 C ATOM 837 C VAL A 57 0.062 2.802 9.581 1.00 0.00 C ATOM 838 O VAL A 57 -0.761 1.975 9.971 1.00 0.00 O ATOM 839 CB VAL A 57 -1.824 4.152 8.636 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.342 5.560 8.381 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.884 3.314 7.365 1.00 0.00 C ATOM 0 H VAL A 57 0.136 4.809 7.242 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.346 4.842 10.066 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.462 3.677 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.361 5.509 7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.333 6.125 9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.704 6.056 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.910 3.284 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.239 3.757 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.546 2.300 7.581 1.00 0.00 H new ATOM 851 N LEU A 58 1.364 2.535 9.493 1.00 0.00 N ATOM 852 CA LEU A 58 1.902 1.228 9.858 1.00 0.00 C ATOM 853 C LEU A 58 3.150 1.390 10.722 1.00 0.00 C ATOM 854 O LEU A 58 4.264 1.509 10.209 1.00 0.00 O ATOM 855 CB LEU A 58 2.237 0.424 8.598 1.00 0.00 C ATOM 856 CG LEU A 58 1.136 0.391 7.534 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.583 -0.419 6.326 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.158 -0.170 8.111 1.00 0.00 C ATOM 0 H LEU A 58 2.063 3.205 9.173 1.00 0.00 H new ATOM 0 HA LEU A 58 1.147 0.689 10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.140 0.839 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.468 -0.600 8.891 1.00 0.00 H new ATOM 0 HG LEU A 58 0.946 1.414 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.787 -0.431 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.477 0.033 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.806 -1.440 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.926 -0.184 7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.014 -1.185 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.489 0.457 8.939 1.00 0.00 H new ATOM 870 N THR A 59 2.953 1.404 12.036 1.00 0.00 N ATOM 871 CA THR A 59 4.055 1.561 12.983 1.00 0.00 C ATOM 872 C THR A 59 5.136 0.504 12.776 1.00 0.00 C ATOM 873 O THR A 59 4.873 -0.574 12.244 1.00 0.00 O ATOM 874 CB THR A 59 3.557 1.488 14.439 1.00 0.00 C ATOM 875 OG1 THR A 59 2.921 0.226 14.677 1.00 0.00 O ATOM 876 CG2 THR A 59 2.579 2.616 14.733 1.00 0.00 C ATOM 0 H THR A 59 2.036 1.308 12.473 1.00 0.00 H new ATOM 0 HA THR A 59 4.484 2.546 12.795 1.00 0.00 H new ATOM 0 HB THR A 59 4.418 1.592 15.100 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.698 -0.195 13.820 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.241 2.544 15.767 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.073 3.575 14.579 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.722 2.538 14.064 1.00 0.00 H new ATOM 884 N ALA A 60 6.356 0.826 13.205 1.00 0.00 N ATOM 885 CA ALA A 60 7.490 -0.087 13.075 1.00 0.00 C ATOM 886 C ALA A 60 7.127 -1.494 13.538 1.00 0.00 C ATOM 887 O ALA A 60 7.573 -2.483 12.955 1.00 0.00 O ATOM 888 CB ALA A 60 8.680 0.438 13.865 1.00 0.00 C ATOM 0 H ALA A 60 6.584 1.716 13.647 1.00 0.00 H new ATOM 0 HA ALA A 60 7.758 -0.141 12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.518 -0.251 13.760 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.966 1.418 13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.409 0.523 14.917 1.00 0.00 H new ATOM 894 N ASP A 61 6.308 -1.580 14.582 1.00 0.00 N ATOM 895 CA ASP A 61 5.877 -2.869 15.115 1.00 0.00 C ATOM 896 C ASP A 61 5.337 -3.754 13.996 1.00 0.00 C ATOM 897 O ASP A 61 5.437 -4.980 14.049 1.00 0.00 O ATOM 898 CB ASP A 61 4.807 -2.670 16.191 1.00 0.00 C ATOM 899 CG ASP A 61 4.338 -3.980 16.794 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.178 -4.703 17.369 1.00 0.00 O ATOM 901 OD2 ASP A 61 3.130 -4.283 16.691 1.00 0.00 O ATOM 0 H ASP A 61 5.929 -0.772 15.076 1.00 0.00 H new ATOM 0 HA ASP A 61 6.739 -3.361 15.565 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.205 -2.032 16.980 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.954 -2.147 15.758 1.00 0.00 H new ATOM 906 N ASP A 62 4.769 -3.113 12.979 1.00 0.00 N ATOM 907 CA ASP A 62 4.213 -3.816 11.827 1.00 0.00 C ATOM 908 C ASP A 62 5.311 -4.385 10.926 1.00 0.00 C ATOM 909 O ASP A 62 5.017 -4.929 9.861 1.00 0.00 O ATOM 910 CB ASP A 62 3.329 -2.871 11.013 1.00 0.00 C ATOM 911 CG ASP A 62 2.202 -2.280 11.838 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.380 -3.059 12.365 1.00 0.00 O ATOM 913 OD2 ASP A 62 2.141 -1.039 11.956 1.00 0.00 O ATOM 0 H ASP A 62 4.681 -2.098 12.930 1.00 0.00 H new ATOM 0 HA ASP A 62 3.619 -4.647 12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.940 -2.065 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.910 -3.411 10.164 1.00 0.00 H new ATOM 918 N PHE A 63 6.574 -4.238 11.341 1.00 0.00 N ATOM 919 CA PHE A 63 7.710 -4.719 10.555 1.00 0.00 C ATOM 920 C PHE A 63 7.394 -6.054 9.876 1.00 0.00 C ATOM 921 O PHE A 63 7.557 -6.192 8.663 1.00 0.00 O ATOM 922 CB PHE A 63 8.946 -4.871 11.446 1.00 0.00 C ATOM 923 CG PHE A 63 10.233 -4.529 10.754 1.00 0.00 C ATOM 924 CD1 PHE A 63 10.483 -3.234 10.332 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.190 -5.504 10.521 1.00 0.00 C ATOM 926 CE1 PHE A 63 11.665 -2.915 9.692 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.373 -5.191 9.881 1.00 0.00 C ATOM 928 CZ PHE A 63 12.612 -3.894 9.466 1.00 0.00 C ATOM 0 H PHE A 63 6.833 -3.788 12.219 1.00 0.00 H new ATOM 0 HA PHE A 63 7.912 -3.981 9.779 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.833 -4.231 12.321 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.999 -5.898 11.807 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.745 -2.464 10.505 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.009 -6.519 10.843 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.848 -1.901 9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.111 -5.959 9.705 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.537 -3.647 8.966 1.00 0.00 H new ATOM 938 N PRO A 64 6.921 -7.050 10.645 1.00 0.00 N ATOM 939 CA PRO A 64 6.568 -8.358 10.109 1.00 0.00 C ATOM 940 C PRO A 64 5.135 -8.390 9.590 1.00 0.00 C ATOM 941 O PRO A 64 4.233 -8.890 10.261 1.00 0.00 O ATOM 942 CB PRO A 64 6.724 -9.263 11.325 1.00 0.00 C ATOM 943 CG PRO A 64 6.333 -8.403 12.480 1.00 0.00 C ATOM 944 CD PRO A 64 6.675 -6.980 12.099 1.00 0.00 C ATOM 0 HA PRO A 64 7.182 -8.650 9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.085 -10.143 11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.749 -9.621 11.425 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.268 -8.501 12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.867 -8.701 13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.859 -6.297 12.333 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.554 -6.623 12.636 1.00 0.00 H new ATOM 952 N PHE A 65 4.926 -7.842 8.396 1.00 0.00 N ATOM 953 CA PHE A 65 3.597 -7.801 7.803 1.00 0.00 C ATOM 954 C PHE A 65 3.190 -9.156 7.235 1.00 0.00 C ATOM 955 O PHE A 65 4.013 -9.884 6.680 1.00 0.00 O ATOM 956 CB PHE A 65 3.545 -6.758 6.689 1.00 0.00 C ATOM 957 CG PHE A 65 2.691 -5.565 7.017 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.334 -5.605 6.775 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.237 -4.416 7.568 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.526 -4.529 7.068 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.433 -3.332 7.867 1.00 0.00 C ATOM 962 CZ PHE A 65 1.076 -3.389 7.617 1.00 0.00 C ATOM 0 H PHE A 65 5.658 -7.422 7.824 1.00 0.00 H new ATOM 0 HA PHE A 65 2.899 -7.534 8.596 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.558 -6.420 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.165 -7.227 5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.897 -6.496 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.298 -4.367 7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.534 -4.577 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.866 -2.441 8.296 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.447 -2.543 7.851 1.00 0.00 H new ATOM 972 N LYS A 66 1.906 -9.477 7.372 1.00 0.00 N ATOM 973 CA LYS A 66 1.365 -10.733 6.868 1.00 0.00 C ATOM 974 C LYS A 66 1.400 -10.760 5.344 1.00 0.00 C ATOM 975 O LYS A 66 0.361 -10.683 4.676 1.00 0.00 O ATOM 976 CB LYS A 66 -0.067 -10.935 7.349 1.00 0.00 C ATOM 977 CG LYS A 66 -0.225 -10.844 8.857 1.00 0.00 C ATOM 978 CD LYS A 66 0.628 -11.881 9.572 1.00 0.00 C ATOM 979 CE LYS A 66 0.255 -13.296 9.160 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.169 -13.606 9.461 1.00 0.00 N ATOM 0 H LYS A 66 1.218 -8.879 7.831 1.00 0.00 H new ATOM 0 HA LYS A 66 1.985 -11.542 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.707 -10.187 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.419 -11.911 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.056 -9.846 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.272 -10.987 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.680 -11.703 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.507 -11.772 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.436 -13.423 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.898 -14.006 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.339 -14.623 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.379 -13.349 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.785 -13.063 8.823 1.00 0.00 H new ATOM 994 N SER A 67 2.600 -10.865 4.804 1.00 0.00 N ATOM 995 CA SER A 67 2.789 -10.908 3.366 1.00 0.00 C ATOM 996 C SER A 67 2.230 -9.661 2.686 1.00 0.00 C ATOM 997 O SER A 67 1.382 -8.957 3.237 1.00 0.00 O ATOM 998 CB SER A 67 2.148 -12.166 2.784 1.00 0.00 C ATOM 999 OG SER A 67 2.690 -13.334 3.376 1.00 0.00 O ATOM 0 H SER A 67 3.464 -10.922 5.344 1.00 0.00 H new ATOM 0 HA SER A 67 3.862 -10.935 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.071 -12.138 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.307 -12.194 1.706 1.00 0.00 H new ATOM 0 HG SER A 67 2.262 -14.126 2.988 1.00 0.00 H new ATOM 1005 N ALA A 68 2.725 -9.397 1.484 1.00 0.00 N ATOM 1006 CA ALA A 68 2.305 -8.240 0.704 1.00 0.00 C ATOM 1007 C ALA A 68 0.790 -8.161 0.575 1.00 0.00 C ATOM 1008 O ALA A 68 0.230 -7.075 0.429 1.00 0.00 O ATOM 1009 CB ALA A 68 2.964 -8.272 -0.664 1.00 0.00 C ATOM 0 H ALA A 68 3.427 -9.977 1.023 1.00 0.00 H new ATOM 0 HA ALA A 68 2.626 -7.343 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.646 -7.404 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.047 -8.252 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.673 -9.183 -1.187 1.00 0.00 H new ATOM 1015 N GLU A 69 0.130 -9.307 0.627 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.319 -9.343 0.512 1.00 0.00 C ATOM 1017 C GLU A 69 -1.988 -8.525 1.619 1.00 0.00 C ATOM 1018 O GLU A 69 -2.887 -7.726 1.341 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.824 -10.785 0.545 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.387 -11.540 1.774 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.812 -12.996 1.751 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.032 -13.257 1.684 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.925 -13.874 1.800 1.00 0.00 O ATOM 0 H GLU A 69 0.571 -10.219 0.747 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.585 -8.896 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.913 -10.783 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.466 -11.309 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.302 -11.484 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.804 -11.058 2.658 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.561 -8.711 2.875 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.168 -7.960 3.966 1.00 0.00 C ATOM 1032 C GLU A 70 -1.743 -6.502 3.918 1.00 0.00 C ATOM 1033 O GLU A 70 -2.530 -5.611 4.206 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.868 -8.586 5.341 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.788 -7.876 6.146 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.950 -8.072 7.644 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.920 -8.743 8.055 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.108 -7.551 8.404 1.00 0.00 O ATOM 0 H GLU A 70 -0.820 -9.356 3.150 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.248 -8.006 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.787 -8.599 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.568 -9.624 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.190 -8.245 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.812 -6.810 5.918 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.497 -6.268 3.552 1.00 0.00 N ATOM 1046 CA VAL A 71 0.025 -4.911 3.463 1.00 0.00 C ATOM 1047 C VAL A 71 -0.773 -4.090 2.462 1.00 0.00 C ATOM 1048 O VAL A 71 -0.996 -2.896 2.657 1.00 0.00 O ATOM 1049 CB VAL A 71 1.500 -4.920 3.060 1.00 0.00 C ATOM 1050 CG1 VAL A 71 2.074 -3.510 3.063 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.274 -5.829 3.995 1.00 0.00 C ATOM 0 H VAL A 71 0.175 -6.997 3.311 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.068 -4.456 4.449 1.00 0.00 H new ATOM 0 HB VAL A 71 1.589 -5.303 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.124 -3.544 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.522 -2.891 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.987 -3.084 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.326 -5.836 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.179 -5.464 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.874 -6.841 3.932 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.201 -4.738 1.386 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.973 -4.065 0.354 1.00 0.00 C ATOM 1063 C ALA A 72 -3.357 -3.661 0.865 1.00 0.00 C ATOM 1064 O ALA A 72 -3.721 -2.485 0.835 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.101 -4.957 -0.870 1.00 0.00 C ATOM 0 H ALA A 72 -1.026 -5.727 1.207 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.442 -3.154 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.681 -4.442 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.109 -5.186 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.605 -5.883 -0.594 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.126 -4.646 1.328 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.476 -4.394 1.835 1.00 0.00 C ATOM 1073 C ASP A 73 -5.456 -3.506 3.078 1.00 0.00 C ATOM 1074 O ASP A 73 -6.281 -2.604 3.225 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.172 -5.718 2.157 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.297 -6.617 0.943 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.251 -6.977 0.362 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.439 -6.962 0.574 1.00 0.00 O ATOM 0 H ASP A 73 -3.839 -5.624 1.363 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.028 -3.869 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.614 -6.239 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.165 -5.515 2.559 1.00 0.00 H new ATOM 1083 N THR A 74 -4.518 -3.778 3.971 1.00 0.00 N ATOM 1084 CA THR A 74 -4.378 -3.026 5.214 1.00 0.00 C ATOM 1085 C THR A 74 -4.262 -1.524 4.957 1.00 0.00 C ATOM 1086 O THR A 74 -4.995 -0.723 5.542 1.00 0.00 O ATOM 1087 CB THR A 74 -3.138 -3.508 5.999 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.321 -4.868 6.411 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.871 -2.640 7.219 1.00 0.00 C ATOM 0 H THR A 74 -3.832 -4.524 3.858 1.00 0.00 H new ATOM 0 HA THR A 74 -5.278 -3.205 5.802 1.00 0.00 H new ATOM 0 HB THR A 74 -2.277 -3.432 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.009 -5.469 5.703 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.991 -3.011 7.744 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.698 -1.611 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.733 -2.674 7.886 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.330 -1.149 4.092 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.109 0.254 3.770 1.00 0.00 C ATOM 1099 C ILE A 75 -4.362 0.899 3.176 1.00 0.00 C ATOM 1100 O ILE A 75 -4.796 1.952 3.638 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.907 0.415 2.815 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.637 -0.098 3.502 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.733 1.869 2.398 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.589 -0.084 2.616 1.00 0.00 C ATOM 0 H ILE A 75 -2.714 -1.797 3.600 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.881 0.772 4.701 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.094 -0.171 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.442 0.511 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.810 -1.116 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.880 1.955 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.633 2.211 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.562 2.483 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.446 -0.461 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.416 -0.717 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.790 0.936 2.289 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.954 0.265 2.164 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.165 0.809 1.547 1.00 0.00 C ATOM 1118 C VAL A 76 -7.284 0.970 2.570 1.00 0.00 C ATOM 1119 O VAL A 76 -8.021 1.956 2.542 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.680 -0.053 0.373 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.866 0.210 -0.880 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.658 -1.534 0.725 1.00 0.00 C ATOM 0 H VAL A 76 -4.623 -0.611 1.759 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.881 1.785 1.153 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.715 0.230 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.244 -0.406 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.947 1.262 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.821 -0.037 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.026 -2.115 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.637 -1.838 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.295 -1.712 1.591 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.412 0.001 3.472 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.451 0.049 4.498 1.00 0.00 C ATOM 1134 C ASN A 77 -8.403 1.369 5.261 1.00 0.00 C ATOM 1135 O ASN A 77 -9.393 2.098 5.322 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.293 -1.122 5.475 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.492 -2.487 4.828 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.340 -3.516 5.488 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -8.841 -2.517 3.543 1.00 0.00 N ATOM 0 H ASN A 77 -6.813 -0.823 3.514 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.418 -0.030 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.299 -1.082 5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.011 -1.006 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.991 -3.411 3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.958 -1.646 3.026 1.00 0.00 H new ATOM 1146 N LYS A 78 -7.244 1.676 5.836 1.00 0.00 N ATOM 1147 CA LYS A 78 -7.069 2.913 6.586 1.00 0.00 C ATOM 1148 C LYS A 78 -6.951 4.106 5.646 1.00 0.00 C ATOM 1149 O LYS A 78 -7.466 5.190 5.924 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.823 2.819 7.464 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.861 1.657 8.444 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.676 1.682 9.398 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.685 2.930 10.266 1.00 0.00 C ATOM 1154 NZ LYS A 78 -3.573 2.925 11.257 1.00 0.00 N ATOM 0 H LYS A 78 -6.414 1.085 5.796 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.946 3.057 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.945 2.718 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.708 3.750 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.788 1.694 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.864 0.717 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.700 0.796 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.748 1.641 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.603 3.813 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.638 3.001 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.250 3.900 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.908 2.515 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.783 2.356 10.890 1.00 0.00 H new ATOM 1168 N ALA A 79 -6.249 3.898 4.537 1.00 0.00 N ATOM 1169 CA ALA A 79 -6.025 4.945 3.538 1.00 0.00 C ATOM 1170 C ALA A 79 -7.296 5.344 2.778 1.00 0.00 C ATOM 1171 O ALA A 79 -7.221 5.726 1.610 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.954 4.501 2.556 1.00 0.00 C ATOM 0 H ALA A 79 -5.819 3.003 4.303 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.697 5.830 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.792 5.284 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.024 4.311 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.276 3.588 2.054 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.455 5.276 3.430 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.691 5.660 2.771 1.00 0.00 C ATOM 1180 C GLY A 80 -10.364 4.521 2.036 1.00 0.00 C ATOM 1181 O GLY A 80 -11.549 4.254 2.240 1.00 0.00 O ATOM 0 H GLY A 80 -8.559 4.964 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.381 6.060 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.482 6.464 2.065 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.614 3.867 1.167 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.139 2.765 0.376 1.00 0.00 C ATOM 1187 C LEU A 81 -10.437 1.551 1.252 1.00 0.00 C ATOM 1188 O LEU A 81 -11.478 1.563 1.942 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.133 2.411 -0.714 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.642 3.605 -1.535 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.408 3.226 -2.341 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.741 4.106 -2.458 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.630 0.600 1.240 1.00 0.00 O ATOM 0 H LEU A 81 -8.633 4.081 0.990 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.079 3.072 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.273 1.925 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.587 1.685 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.375 4.407 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.072 4.087 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.614 2.911 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.653 2.408 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.373 4.955 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.037 3.307 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.602 4.415 -1.865 1.00 0.00 H new