USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HE2:sc= -1.79 K(o=-2.7,f=-4.3!) USER MOD Set 1.2: A 47 THR OG1 : rot 141:sc= -0.887! USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0428 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.368 (180deg=0.224) USER MOD Single : A 22 THR OG1 : rot -70:sc= -0.0721 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00631) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.735 K(o=-0.73,f=0) USER MOD Single : A 44 MET CE :methyl -162:sc= 0 (180deg=-0.433) USER MOD Single : A 48 ASN : amide:sc= -0.866 K(o=-0.87,f=-4.4!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 54 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.111 15.875 8.356 1.00 0.00 N ATOM 2 CA GLY A 1 -16.669 15.956 8.497 1.00 0.00 C ATOM 3 C GLY A 1 -16.116 17.293 8.044 1.00 0.00 C ATOM 4 O GLY A 1 -16.805 18.311 8.108 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.515 15.398 9.187 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.507 16.834 8.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.346 15.335 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.399 15.789 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.205 15.159 7.916 1.00 0.00 H new ATOM 8 N SER A 2 -14.868 17.291 7.587 1.00 0.00 N ATOM 9 CA SER A 2 -14.221 18.515 7.127 1.00 0.00 C ATOM 10 C SER A 2 -13.598 18.314 5.749 1.00 0.00 C ATOM 11 O SER A 2 -12.685 17.507 5.579 1.00 0.00 O ATOM 12 CB SER A 2 -13.148 18.956 8.125 1.00 0.00 C ATOM 13 OG SER A 2 -13.730 19.584 9.254 1.00 0.00 O ATOM 0 H SER A 2 -14.285 16.456 7.525 1.00 0.00 H new ATOM 0 HA SER A 2 -14.981 19.293 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.567 18.091 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.455 19.643 7.639 1.00 0.00 H new ATOM 0 HG SER A 2 -13.024 19.855 9.878 1.00 0.00 H new ATOM 19 N SER A 3 -14.101 19.055 4.766 1.00 0.00 N ATOM 20 CA SER A 3 -13.597 18.957 3.401 1.00 0.00 C ATOM 21 C SER A 3 -12.095 19.218 3.356 1.00 0.00 C ATOM 22 O SER A 3 -11.631 20.305 3.699 1.00 0.00 O ATOM 23 CB SER A 3 -14.326 19.951 2.494 1.00 0.00 C ATOM 24 OG SER A 3 -14.295 19.525 1.143 1.00 0.00 O ATOM 0 H SER A 3 -14.856 19.729 4.890 1.00 0.00 H new ATOM 0 HA SER A 3 -13.783 17.944 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.360 20.057 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.863 20.934 2.580 1.00 0.00 H new ATOM 0 HG SER A 3 -14.769 20.176 0.584 1.00 0.00 H new ATOM 30 N GLY A 4 -11.338 18.211 2.930 1.00 0.00 N ATOM 31 CA GLY A 4 -9.896 18.349 2.847 1.00 0.00 C ATOM 32 C GLY A 4 -9.277 17.388 1.853 1.00 0.00 C ATOM 33 O GLY A 4 -9.711 17.308 0.703 1.00 0.00 O ATOM 0 H GLY A 4 -11.698 17.302 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.648 19.371 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.461 18.178 3.832 1.00 0.00 H new ATOM 37 N SER A 5 -8.259 16.656 2.294 1.00 0.00 N ATOM 38 CA SER A 5 -7.575 15.699 1.432 1.00 0.00 C ATOM 39 C SER A 5 -8.331 14.375 1.385 1.00 0.00 C ATOM 40 O SER A 5 -7.990 13.427 2.093 1.00 0.00 O ATOM 41 CB SER A 5 -6.146 15.466 1.926 1.00 0.00 C ATOM 42 OG SER A 5 -5.391 14.735 0.976 1.00 0.00 O ATOM 0 H SER A 5 -7.890 16.707 3.243 1.00 0.00 H new ATOM 0 HA SER A 5 -7.540 16.114 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.664 16.424 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.169 14.925 2.872 1.00 0.00 H new ATOM 0 HG SER A 5 -4.481 14.601 1.315 1.00 0.00 H new ATOM 48 N SER A 6 -9.359 14.317 0.544 1.00 0.00 N ATOM 49 CA SER A 6 -10.166 13.111 0.405 1.00 0.00 C ATOM 50 C SER A 6 -9.637 12.229 -0.722 1.00 0.00 C ATOM 51 O SER A 6 -9.181 12.726 -1.751 1.00 0.00 O ATOM 52 CB SER A 6 -11.627 13.478 0.139 1.00 0.00 C ATOM 53 OG SER A 6 -11.823 13.841 -1.217 1.00 0.00 O ATOM 0 H SER A 6 -9.652 15.092 -0.051 1.00 0.00 H new ATOM 0 HA SER A 6 -10.103 12.552 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.269 12.633 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.921 14.304 0.786 1.00 0.00 H new ATOM 0 HG SER A 6 -12.765 14.069 -1.362 1.00 0.00 H new ATOM 59 N GLY A 7 -9.703 10.917 -0.519 1.00 0.00 N ATOM 60 CA GLY A 7 -9.228 9.986 -1.526 1.00 0.00 C ATOM 61 C GLY A 7 -7.749 10.151 -1.815 1.00 0.00 C ATOM 62 O GLY A 7 -7.363 10.934 -2.684 1.00 0.00 O ATOM 0 H GLY A 7 -10.077 10.482 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.418 8.966 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.794 10.131 -2.446 1.00 0.00 H new ATOM 66 N ARG A 8 -6.919 9.412 -1.086 1.00 0.00 N ATOM 67 CA ARG A 8 -5.474 9.483 -1.267 1.00 0.00 C ATOM 68 C ARG A 8 -4.967 8.286 -2.067 1.00 0.00 C ATOM 69 O ARG A 8 -5.676 7.292 -2.231 1.00 0.00 O ATOM 70 CB ARG A 8 -4.770 9.538 0.090 1.00 0.00 C ATOM 71 CG ARG A 8 -3.372 10.130 0.028 1.00 0.00 C ATOM 72 CD ARG A 8 -2.908 10.609 1.394 1.00 0.00 C ATOM 73 NE ARG A 8 -1.496 10.981 1.394 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.018 12.047 0.762 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.834 12.842 0.083 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.280 12.320 0.808 1.00 0.00 N ATOM 0 H ARG A 8 -7.222 8.758 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.247 10.393 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.374 10.127 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.710 8.530 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.676 9.382 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.360 10.963 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.508 11.466 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.075 9.823 2.130 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.841 10.390 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.832 12.636 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.463 13.660 -0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.911 11.711 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.646 13.139 0.322 1.00 0.00 H new ATOM 90 N ARG A 9 -3.738 8.388 -2.561 1.00 0.00 N ATOM 91 CA ARG A 9 -3.138 7.316 -3.345 1.00 0.00 C ATOM 92 C ARG A 9 -1.679 7.105 -2.950 1.00 0.00 C ATOM 93 O ARG A 9 -1.003 8.036 -2.512 1.00 0.00 O ATOM 94 CB ARG A 9 -3.233 7.632 -4.838 1.00 0.00 C ATOM 95 CG ARG A 9 -4.579 7.282 -5.451 1.00 0.00 C ATOM 96 CD ARG A 9 -4.443 6.907 -6.918 1.00 0.00 C ATOM 97 NE ARG A 9 -5.707 7.044 -7.638 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.795 7.114 -8.961 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.699 7.059 -9.706 1.00 0.00 N ATOM 100 NH2 ARG A 9 -6.981 7.239 -9.542 1.00 0.00 N ATOM 0 H ARG A 9 -3.138 9.203 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.689 6.398 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.040 8.694 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.450 7.088 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.025 6.453 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.256 8.130 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.689 7.540 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.090 5.879 -6.998 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.569 7.088 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.785 6.963 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.770 7.113 -10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.826 7.281 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.048 7.293 -10.558 1.00 0.00 H new ATOM 114 N VAL A 10 -1.200 5.875 -3.108 1.00 0.00 N ATOM 115 CA VAL A 10 0.178 5.542 -2.769 1.00 0.00 C ATOM 116 C VAL A 10 0.754 4.523 -3.747 1.00 0.00 C ATOM 117 O VAL A 10 0.034 3.972 -4.580 1.00 0.00 O ATOM 118 CB VAL A 10 0.284 4.980 -1.339 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.108 6.039 -0.319 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.580 3.738 -1.189 1.00 0.00 C ATOM 0 H VAL A 10 -1.746 5.093 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 10 0.752 6.467 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 10 1.320 4.697 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.027 5.624 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.557 6.897 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.135 6.355 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.493 3.355 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.620 3.992 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.247 2.976 -1.894 1.00 0.00 H new ATOM 130 N ARG A 11 2.056 4.279 -3.640 1.00 0.00 N ATOM 131 CA ARG A 11 2.729 3.327 -4.515 1.00 0.00 C ATOM 132 C ARG A 11 3.701 2.455 -3.725 1.00 0.00 C ATOM 133 O ARG A 11 4.655 2.954 -3.130 1.00 0.00 O ATOM 134 CB ARG A 11 3.477 4.065 -5.627 1.00 0.00 C ATOM 135 CG ARG A 11 4.377 3.164 -6.457 1.00 0.00 C ATOM 136 CD ARG A 11 5.567 3.928 -7.016 1.00 0.00 C ATOM 137 NE ARG A 11 6.365 3.110 -7.924 1.00 0.00 N ATOM 138 CZ ARG A 11 6.058 2.917 -9.202 1.00 0.00 C ATOM 139 NH1 ARG A 11 4.976 3.481 -9.720 1.00 0.00 N ATOM 140 NH2 ARG A 11 6.835 2.158 -9.965 1.00 0.00 N ATOM 0 H ARG A 11 2.666 4.727 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 11 1.971 2.683 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.752 4.545 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.080 4.858 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.731 2.336 -5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.804 2.731 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.214 4.814 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.194 4.274 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 11 7.205 2.662 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.377 4.065 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.743 3.331 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.669 1.722 -9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.599 2.010 -10.946 1.00 0.00 H new ATOM 154 N ALA A 12 3.450 1.150 -3.724 1.00 0.00 N ATOM 155 CA ALA A 12 4.304 0.209 -3.009 1.00 0.00 C ATOM 156 C ALA A 12 5.712 0.191 -3.594 1.00 0.00 C ATOM 157 O ALA A 12 5.980 -0.511 -4.569 1.00 0.00 O ATOM 158 CB ALA A 12 3.697 -1.186 -3.046 1.00 0.00 C ATOM 0 H ALA A 12 2.663 0.720 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 12 4.375 0.536 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.344 -1.879 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.714 -1.168 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.597 -1.512 -4.081 1.00 0.00 H new ATOM 164 N ILE A 13 6.607 0.968 -2.993 1.00 0.00 N ATOM 165 CA ILE A 13 7.987 1.040 -3.454 1.00 0.00 C ATOM 166 C ILE A 13 8.656 -0.329 -3.406 1.00 0.00 C ATOM 167 O ILE A 13 9.606 -0.595 -4.143 1.00 0.00 O ATOM 168 CB ILE A 13 8.811 2.031 -2.612 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.750 1.650 -1.131 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.306 3.451 -2.820 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.893 2.211 -0.314 1.00 0.00 C ATOM 0 H ILE A 13 6.401 1.556 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 13 7.956 1.390 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 13 9.850 1.984 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.808 2.003 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.751 0.564 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.899 4.140 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.397 3.719 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.260 3.513 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.784 1.900 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.839 1.838 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.881 3.299 -0.371 1.00 0.00 H new ATOM 183 N LEU A 14 8.152 -1.197 -2.535 1.00 0.00 N ATOM 184 CA LEU A 14 8.699 -2.541 -2.391 1.00 0.00 C ATOM 185 C LEU A 14 7.583 -3.571 -2.249 1.00 0.00 C ATOM 186 O LEU A 14 6.479 -3.267 -1.796 1.00 0.00 O ATOM 187 CB LEU A 14 9.628 -2.608 -1.177 1.00 0.00 C ATOM 188 CG LEU A 14 11.027 -2.022 -1.369 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.707 -1.813 -0.025 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.866 -2.926 -2.259 1.00 0.00 C ATOM 0 H LEU A 14 7.366 -0.994 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 14 9.270 -2.772 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.148 -2.087 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.731 -3.652 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 14 10.930 -1.053 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.702 -1.395 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.115 -1.125 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.792 -2.769 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.858 -2.493 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.955 -3.910 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.387 -3.024 -3.233 1.00 0.00 H new ATOM 202 N PRO A 15 7.875 -4.820 -2.641 1.00 0.00 N ATOM 203 CA PRO A 15 6.910 -5.920 -2.565 1.00 0.00 C ATOM 204 C PRO A 15 6.618 -6.336 -1.127 1.00 0.00 C ATOM 205 O PRO A 15 7.432 -6.117 -0.230 1.00 0.00 O ATOM 206 CB PRO A 15 7.607 -7.056 -3.319 1.00 0.00 C ATOM 207 CG PRO A 15 9.060 -6.753 -3.201 1.00 0.00 C ATOM 208 CD PRO A 15 9.171 -5.253 -3.190 1.00 0.00 C ATOM 0 HA PRO A 15 5.942 -5.643 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.368 -8.026 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.293 -7.090 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.475 -7.182 -2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.617 -7.179 -4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.003 -4.916 -2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.337 -4.855 -4.191 1.00 0.00 H new ATOM 216 N TYR A 16 5.453 -6.937 -0.915 1.00 0.00 N ATOM 217 CA TYR A 16 5.052 -7.382 0.414 1.00 0.00 C ATOM 218 C TYR A 16 4.216 -8.655 0.334 1.00 0.00 C ATOM 219 O TYR A 16 3.371 -8.804 -0.549 1.00 0.00 O ATOM 220 CB TYR A 16 4.261 -6.283 1.126 1.00 0.00 C ATOM 221 CG TYR A 16 3.951 -6.600 2.572 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.965 -6.928 3.464 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.645 -6.572 3.045 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.686 -7.219 4.786 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.358 -6.860 4.365 1.00 0.00 C ATOM 226 CZ TYR A 16 3.381 -7.183 5.231 1.00 0.00 C ATOM 227 OH TYR A 16 3.098 -7.472 6.547 1.00 0.00 O ATOM 0 H TYR A 16 4.769 -7.127 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 16 5.955 -7.598 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.826 -5.352 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.326 -6.115 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.988 -6.956 3.118 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.841 -6.321 2.369 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.485 -7.473 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.337 -6.832 4.717 1.00 0.00 H new ATOM 0 HH TYR A 16 2.132 -7.401 6.697 1.00 0.00 H new ATOM 237 N THR A 17 4.458 -9.574 1.265 1.00 0.00 N ATOM 238 CA THR A 17 3.729 -10.835 1.301 1.00 0.00 C ATOM 239 C THR A 17 2.695 -10.841 2.421 1.00 0.00 C ATOM 240 O THR A 17 3.007 -11.171 3.566 1.00 0.00 O ATOM 241 CB THR A 17 4.682 -12.030 1.491 1.00 0.00 C ATOM 242 OG1 THR A 17 5.770 -11.940 0.564 1.00 0.00 O ATOM 243 CG2 THR A 17 3.947 -13.346 1.291 1.00 0.00 C ATOM 0 H THR A 17 5.153 -9.468 2.004 1.00 0.00 H new ATOM 0 HA THR A 17 3.222 -10.934 0.341 1.00 0.00 H new ATOM 0 HB THR A 17 5.069 -12.000 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.373 -12.702 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.641 -14.175 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.137 -13.425 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.535 -13.383 0.282 1.00 0.00 H new ATOM 251 N LYS A 18 1.463 -10.475 2.085 1.00 0.00 N ATOM 252 CA LYS A 18 0.381 -10.440 3.062 1.00 0.00 C ATOM 253 C LYS A 18 0.510 -11.589 4.058 1.00 0.00 C ATOM 254 O LYS A 18 0.926 -12.690 3.699 1.00 0.00 O ATOM 255 CB LYS A 18 -0.974 -10.512 2.356 1.00 0.00 C ATOM 256 CG LYS A 18 -1.317 -11.898 1.838 1.00 0.00 C ATOM 257 CD LYS A 18 -2.811 -12.052 1.606 1.00 0.00 C ATOM 258 CE LYS A 18 -3.532 -12.471 2.878 1.00 0.00 C ATOM 259 NZ LYS A 18 -5.006 -12.554 2.679 1.00 0.00 N ATOM 0 H LYS A 18 1.189 -10.198 1.142 1.00 0.00 H new ATOM 0 HA LYS A 18 0.449 -9.499 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.752 -10.189 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.977 -9.810 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.782 -12.082 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.979 -12.649 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.224 -11.109 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.985 -12.794 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.155 -13.439 3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.312 -11.757 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.428 -13.120 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.413 -11.597 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.208 -13.003 1.763 1.00 0.00 H new ATOM 273 N VAL A 19 0.148 -11.325 5.309 1.00 0.00 N ATOM 274 CA VAL A 19 0.220 -12.337 6.356 1.00 0.00 C ATOM 275 C VAL A 19 -1.006 -13.243 6.330 1.00 0.00 C ATOM 276 O VAL A 19 -2.137 -12.792 6.145 1.00 0.00 O ATOM 277 CB VAL A 19 0.342 -11.696 7.751 1.00 0.00 C ATOM 278 CG1 VAL A 19 0.351 -12.765 8.832 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.593 -10.833 7.832 1.00 0.00 C ATOM 0 H VAL A 19 -0.198 -10.418 5.622 1.00 0.00 H new ATOM 0 HA VAL A 19 1.112 -12.932 6.159 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.525 -11.056 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.438 -12.292 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.576 -13.337 8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.198 -13.433 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.664 -10.387 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.473 -11.449 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.539 -10.043 7.083 1.00 0.00 H new ATOM 289 N PRO A 20 -0.780 -14.551 6.521 1.00 0.00 N ATOM 290 CA PRO A 20 -1.855 -15.547 6.526 1.00 0.00 C ATOM 291 C PRO A 20 -2.755 -15.424 7.751 1.00 0.00 C ATOM 292 O PRO A 20 -2.285 -15.138 8.852 1.00 0.00 O ATOM 293 CB PRO A 20 -1.103 -16.880 6.547 1.00 0.00 C ATOM 294 CG PRO A 20 0.213 -16.563 7.170 1.00 0.00 C ATOM 295 CD PRO A 20 0.542 -15.158 6.748 1.00 0.00 C ATOM 0 HA PRO A 20 -2.522 -15.431 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.644 -17.630 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.979 -17.280 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.160 -16.642 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.981 -17.261 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.101 -14.627 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.152 -15.142 5.845 1.00 0.00 H new ATOM 303 N ASP A 21 -4.050 -15.642 7.552 1.00 0.00 N ATOM 304 CA ASP A 21 -5.016 -15.557 8.641 1.00 0.00 C ATOM 305 C ASP A 21 -5.251 -14.105 9.047 1.00 0.00 C ATOM 306 O ASP A 21 -5.134 -13.750 10.220 1.00 0.00 O ATOM 307 CB ASP A 21 -4.531 -16.364 9.846 1.00 0.00 C ATOM 308 CG ASP A 21 -5.675 -16.903 10.681 1.00 0.00 C ATOM 309 OD1 ASP A 21 -6.763 -16.289 10.663 1.00 0.00 O ATOM 310 OD2 ASP A 21 -5.484 -17.939 11.353 1.00 0.00 O ATOM 0 H ASP A 21 -4.455 -15.879 6.646 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.960 -15.975 8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.916 -17.194 9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.896 -15.735 10.469 1.00 0.00 H new ATOM 315 N THR A 22 -5.581 -13.268 8.068 1.00 0.00 N ATOM 316 CA THR A 22 -5.830 -11.855 8.322 1.00 0.00 C ATOM 317 C THR A 22 -6.562 -11.206 7.153 1.00 0.00 C ATOM 318 O THR A 22 -6.874 -11.866 6.161 1.00 0.00 O ATOM 319 CB THR A 22 -4.517 -11.091 8.579 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.570 -11.384 7.547 1.00 0.00 O ATOM 321 CG2 THR A 22 -3.931 -11.463 9.933 1.00 0.00 C ATOM 0 H THR A 22 -5.682 -13.545 7.092 1.00 0.00 H new ATOM 0 HA THR A 22 -6.455 -11.800 9.213 1.00 0.00 H new ATOM 0 HB THR A 22 -4.737 -10.023 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.260 -12.309 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.005 -10.911 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.643 -11.212 10.719 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.725 -12.533 9.959 1.00 0.00 H new ATOM 329 N ASP A 23 -6.831 -9.911 7.275 1.00 0.00 N ATOM 330 CA ASP A 23 -7.524 -9.172 6.226 1.00 0.00 C ATOM 331 C ASP A 23 -6.541 -8.347 5.402 1.00 0.00 C ATOM 332 O ASP A 23 -6.912 -7.334 4.809 1.00 0.00 O ATOM 333 CB ASP A 23 -8.590 -8.260 6.835 1.00 0.00 C ATOM 334 CG ASP A 23 -9.898 -8.985 7.084 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.516 -9.450 6.104 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.304 -9.087 8.261 1.00 0.00 O ATOM 0 H ASP A 23 -6.580 -9.351 8.090 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.007 -9.893 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.220 -7.851 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.767 -7.416 6.168 1.00 0.00 H new ATOM 341 N GLU A 24 -5.287 -8.787 5.370 1.00 0.00 N ATOM 342 CA GLU A 24 -4.251 -8.087 4.620 1.00 0.00 C ATOM 343 C GLU A 24 -4.185 -8.593 3.182 1.00 0.00 C ATOM 344 O GLU A 24 -4.521 -9.744 2.902 1.00 0.00 O ATOM 345 CB GLU A 24 -2.891 -8.265 5.298 1.00 0.00 C ATOM 346 CG GLU A 24 -2.796 -7.593 6.657 1.00 0.00 C ATOM 347 CD GLU A 24 -1.707 -8.189 7.528 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.696 -8.665 6.970 1.00 0.00 O ATOM 349 OE2 GLU A 24 -1.865 -8.179 8.766 1.00 0.00 O ATOM 0 H GLU A 24 -4.964 -9.625 5.855 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.504 -7.027 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.689 -9.330 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.115 -7.862 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.604 -6.529 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.754 -7.680 7.169 1.00 0.00 H new ATOM 356 N ILE A 25 -3.751 -7.725 2.275 1.00 0.00 N ATOM 357 CA ILE A 25 -3.640 -8.084 0.866 1.00 0.00 C ATOM 358 C ILE A 25 -2.205 -7.933 0.372 1.00 0.00 C ATOM 359 O ILE A 25 -1.458 -7.081 0.853 1.00 0.00 O ATOM 360 CB ILE A 25 -4.566 -7.219 -0.009 1.00 0.00 C ATOM 361 CG1 ILE A 25 -4.098 -5.762 -0.002 1.00 0.00 C ATOM 362 CG2 ILE A 25 -6.004 -7.322 0.478 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.777 -4.904 -1.046 1.00 0.00 C ATOM 0 H ILE A 25 -3.470 -6.768 2.490 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.943 -9.128 0.781 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.523 -7.589 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.282 -5.335 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.021 -5.734 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.646 -6.705 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.333 -8.360 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.065 -6.975 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.396 -3.885 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.572 -5.307 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.853 -4.901 -0.871 1.00 0.00 H new ATOM 375 N SER A 26 -1.827 -8.764 -0.594 1.00 0.00 N ATOM 376 CA SER A 26 -0.481 -8.725 -1.154 1.00 0.00 C ATOM 377 C SER A 26 -0.420 -7.789 -2.357 1.00 0.00 C ATOM 378 O SER A 26 -1.415 -7.588 -3.053 1.00 0.00 O ATOM 379 CB SER A 26 -0.035 -10.130 -1.563 1.00 0.00 C ATOM 380 OG SER A 26 -0.705 -10.556 -2.737 1.00 0.00 O ATOM 0 H SER A 26 -2.434 -9.473 -1.005 1.00 0.00 H new ATOM 0 HA SER A 26 0.194 -8.346 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.042 -10.138 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.236 -10.829 -0.752 1.00 0.00 H new ATOM 0 HG SER A 26 -0.401 -11.456 -2.979 1.00 0.00 H new ATOM 386 N PHE A 27 0.756 -7.218 -2.595 1.00 0.00 N ATOM 387 CA PHE A 27 0.949 -6.302 -3.713 1.00 0.00 C ATOM 388 C PHE A 27 2.368 -6.407 -4.264 1.00 0.00 C ATOM 389 O PHE A 27 3.233 -7.047 -3.665 1.00 0.00 O ATOM 390 CB PHE A 27 0.664 -4.864 -3.276 1.00 0.00 C ATOM 391 CG PHE A 27 1.091 -4.570 -1.866 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.415 -5.128 -0.793 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.168 -3.736 -1.614 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.805 -4.859 0.505 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.564 -3.463 -0.318 1.00 0.00 C ATOM 396 CZ PHE A 27 1.882 -4.026 0.743 1.00 0.00 C ATOM 0 H PHE A 27 1.590 -7.373 -2.029 1.00 0.00 H new ATOM 0 HA PHE A 27 0.251 -6.580 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.175 -4.179 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.404 -4.668 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.426 -5.781 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.705 -3.294 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.269 -5.299 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.405 -2.811 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.190 -3.816 1.757 1.00 0.00 H new ATOM 406 N LEU A 28 2.600 -5.775 -5.409 1.00 0.00 N ATOM 407 CA LEU A 28 3.914 -5.796 -6.042 1.00 0.00 C ATOM 408 C LEU A 28 4.497 -4.390 -6.136 1.00 0.00 C ATOM 409 O LEU A 28 3.786 -3.399 -5.968 1.00 0.00 O ATOM 410 CB LEU A 28 3.819 -6.415 -7.438 1.00 0.00 C ATOM 411 CG LEU A 28 3.671 -7.937 -7.489 1.00 0.00 C ATOM 412 CD1 LEU A 28 2.991 -8.364 -8.781 1.00 0.00 C ATOM 413 CD2 LEU A 28 5.028 -8.610 -7.350 1.00 0.00 C ATOM 0 H LEU A 28 1.895 -5.242 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 28 4.577 -6.403 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.968 -5.970 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.712 -6.138 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 28 3.046 -8.250 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.894 -9.450 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.001 -7.910 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.589 -8.038 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.903 -9.692 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.678 -8.291 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.477 -8.330 -6.397 1.00 0.00 H new ATOM 425 N LYS A 29 5.795 -4.310 -6.408 1.00 0.00 N ATOM 426 CA LYS A 29 6.474 -3.025 -6.529 1.00 0.00 C ATOM 427 C LYS A 29 5.815 -2.160 -7.599 1.00 0.00 C ATOM 428 O LYS A 29 5.794 -2.519 -8.775 1.00 0.00 O ATOM 429 CB LYS A 29 7.952 -3.235 -6.866 1.00 0.00 C ATOM 430 CG LYS A 29 8.676 -1.957 -7.250 1.00 0.00 C ATOM 431 CD LYS A 29 10.084 -2.241 -7.745 1.00 0.00 C ATOM 432 CE LYS A 29 10.979 -1.019 -7.612 1.00 0.00 C ATOM 433 NZ LYS A 29 10.508 0.109 -8.463 1.00 0.00 N ATOM 0 H LYS A 29 6.398 -5.120 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 29 6.396 -2.510 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.452 -3.682 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.031 -3.948 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.114 -1.439 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.720 -1.290 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.510 -3.069 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.048 -2.555 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.007 -0.701 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.999 -1.284 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.163 0.911 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.473 -0.197 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.558 0.401 -8.157 1.00 0.00 H new ATOM 447 N GLY A 30 5.280 -1.016 -7.182 1.00 0.00 N ATOM 448 CA GLY A 30 4.630 -0.117 -8.118 1.00 0.00 C ATOM 449 C GLY A 30 3.121 -0.120 -7.971 1.00 0.00 C ATOM 450 O GLY A 30 2.470 0.906 -8.167 1.00 0.00 O ATOM 0 H GLY A 30 5.285 -0.696 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.005 0.895 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.894 -0.404 -9.136 1.00 0.00 H new ATOM 454 N ASP A 31 2.564 -1.276 -7.628 1.00 0.00 N ATOM 455 CA ASP A 31 1.122 -1.408 -7.456 1.00 0.00 C ATOM 456 C ASP A 31 0.539 -0.170 -6.783 1.00 0.00 C ATOM 457 O ASP A 31 1.012 0.256 -5.730 1.00 0.00 O ATOM 458 CB ASP A 31 0.797 -2.654 -6.630 1.00 0.00 C ATOM 459 CG ASP A 31 0.827 -3.923 -7.460 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.807 -4.119 -8.208 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.130 -4.719 -7.361 1.00 0.00 O ATOM 0 H ASP A 31 3.089 -2.135 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 31 0.671 -1.509 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.512 -2.741 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.189 -2.541 -6.180 1.00 0.00 H new ATOM 466 N MET A 32 -0.490 0.403 -7.398 1.00 0.00 N ATOM 467 CA MET A 32 -1.138 1.593 -6.858 1.00 0.00 C ATOM 468 C MET A 32 -2.358 1.216 -6.023 1.00 0.00 C ATOM 469 O MET A 32 -2.895 0.116 -6.152 1.00 0.00 O ATOM 470 CB MET A 32 -1.551 2.534 -7.991 1.00 0.00 C ATOM 471 CG MET A 32 -0.472 3.534 -8.374 1.00 0.00 C ATOM 472 SD MET A 32 -0.630 4.107 -10.076 1.00 0.00 S ATOM 473 CE MET A 32 -0.897 5.860 -9.820 1.00 0.00 C ATOM 0 H MET A 32 -0.893 0.063 -8.271 1.00 0.00 H new ATOM 0 HA MET A 32 -0.423 2.105 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.813 1.941 -8.867 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.448 3.076 -7.693 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.520 4.390 -7.701 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.508 3.076 -8.238 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.013 6.355 -10.784 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.798 6.008 -9.225 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.042 6.285 -9.295 1.00 0.00 H new ATOM 483 N PHE A 33 -2.791 2.136 -5.168 1.00 0.00 N ATOM 484 CA PHE A 33 -3.947 1.899 -4.311 1.00 0.00 C ATOM 485 C PHE A 33 -4.754 3.180 -4.120 1.00 0.00 C ATOM 486 O PHE A 33 -4.255 4.281 -4.356 1.00 0.00 O ATOM 487 CB PHE A 33 -3.499 1.357 -2.952 1.00 0.00 C ATOM 488 CG PHE A 33 -2.348 0.397 -3.040 1.00 0.00 C ATOM 489 CD1 PHE A 33 -1.042 0.858 -3.033 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.572 -0.968 -3.128 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.020 -0.024 -3.114 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.515 -1.855 -3.209 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.217 -1.382 -3.201 1.00 0.00 C ATOM 0 H PHE A 33 -2.359 3.052 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.583 1.159 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.217 2.193 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.342 0.859 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.851 1.919 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.585 -1.343 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.034 0.349 -3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.704 -2.916 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.611 -2.073 -3.263 1.00 0.00 H new ATOM 503 N ILE A 34 -6.002 3.028 -3.691 1.00 0.00 N ATOM 504 CA ILE A 34 -6.877 4.172 -3.467 1.00 0.00 C ATOM 505 C ILE A 34 -7.273 4.282 -1.999 1.00 0.00 C ATOM 506 O ILE A 34 -8.319 3.779 -1.587 1.00 0.00 O ATOM 507 CB ILE A 34 -8.152 4.081 -4.326 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.790 4.018 -5.811 1.00 0.00 C ATOM 509 CG2 ILE A 34 -9.064 5.267 -4.047 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.979 3.771 -6.713 1.00 0.00 C ATOM 0 H ILE A 34 -6.430 2.124 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.316 5.061 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.685 3.167 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.313 4.954 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.057 3.226 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.961 5.189 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.345 5.270 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.540 6.193 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.648 3.739 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.444 2.821 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.704 4.576 -6.588 1.00 0.00 H new ATOM 522 N VAL A 35 -6.431 4.945 -1.212 1.00 0.00 N ATOM 523 CA VAL A 35 -6.694 5.125 0.210 1.00 0.00 C ATOM 524 C VAL A 35 -8.166 5.435 0.462 1.00 0.00 C ATOM 525 O VAL A 35 -8.695 6.432 -0.030 1.00 0.00 O ATOM 526 CB VAL A 35 -5.834 6.258 0.801 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.988 6.312 2.314 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.375 6.077 0.412 1.00 0.00 C ATOM 0 H VAL A 35 -5.561 5.366 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.434 4.187 0.701 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.181 7.206 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.373 7.118 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.033 6.493 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.669 5.364 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.782 6.886 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.013 5.122 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.283 6.093 -0.674 1.00 0.00 H new ATOM 538 N HIS A 36 -8.822 4.573 1.233 1.00 0.00 N ATOM 539 CA HIS A 36 -10.234 4.755 1.552 1.00 0.00 C ATOM 540 C HIS A 36 -10.416 5.117 3.023 1.00 0.00 C ATOM 541 O HIS A 36 -11.140 6.054 3.356 1.00 0.00 O ATOM 542 CB HIS A 36 -11.020 3.485 1.227 1.00 0.00 C ATOM 543 CG HIS A 36 -11.076 3.174 -0.237 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.784 3.936 -1.142 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.505 2.177 -0.954 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.648 3.421 -2.351 1.00 0.00 C ATOM 547 NE2 HIS A 36 -10.876 2.353 -2.264 1.00 0.00 N ATOM 0 H HIS A 36 -8.399 3.743 1.648 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.616 5.575 0.944 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.568 2.643 1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.036 3.589 1.607 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -12.328 4.768 -0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.875 1.390 -0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.092 3.808 -3.256 1.00 0.00 H new ATOM 555 N ASN A 37 -9.755 4.367 3.899 1.00 0.00 N ATOM 556 CA ASN A 37 -9.845 4.608 5.334 1.00 0.00 C ATOM 557 C ASN A 37 -8.516 5.114 5.886 1.00 0.00 C ATOM 558 O ASN A 37 -7.477 4.478 5.710 1.00 0.00 O ATOM 559 CB ASN A 37 -10.258 3.328 6.063 1.00 0.00 C ATOM 560 CG ASN A 37 -11.053 3.610 7.323 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.284 3.571 7.315 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.352 3.896 8.413 1.00 0.00 N ATOM 0 H ASN A 37 -9.151 3.587 3.640 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.602 5.374 5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.853 2.708 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.366 2.756 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.832 4.095 9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.333 3.917 8.373 1.00 0.00 H new ATOM 569 N GLU A 38 -8.557 6.263 6.553 1.00 0.00 N ATOM 570 CA GLU A 38 -7.355 6.854 7.130 1.00 0.00 C ATOM 571 C GLU A 38 -7.232 6.502 8.610 1.00 0.00 C ATOM 572 O GLU A 38 -8.021 6.960 9.437 1.00 0.00 O ATOM 573 CB GLU A 38 -7.374 8.374 6.956 1.00 0.00 C ATOM 574 CG GLU A 38 -7.158 8.826 5.522 1.00 0.00 C ATOM 575 CD GLU A 38 -6.556 10.214 5.431 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.642 10.517 6.227 1.00 0.00 O ATOM 577 OE2 GLU A 38 -6.999 10.998 4.566 1.00 0.00 O ATOM 0 H GLU A 38 -9.409 6.803 6.707 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.492 6.446 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.330 8.760 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.601 8.813 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.503 8.116 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.111 8.812 4.994 1.00 0.00 H new ATOM 584 N LEU A 39 -6.237 5.684 8.936 1.00 0.00 N ATOM 585 CA LEU A 39 -6.009 5.269 10.316 1.00 0.00 C ATOM 586 C LEU A 39 -4.684 5.815 10.837 1.00 0.00 C ATOM 587 O LEU A 39 -3.768 6.090 10.063 1.00 0.00 O ATOM 588 CB LEU A 39 -6.021 3.743 10.418 1.00 0.00 C ATOM 589 CG LEU A 39 -7.101 3.024 9.610 1.00 0.00 C ATOM 590 CD1 LEU A 39 -6.673 2.876 8.158 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.407 1.663 10.219 1.00 0.00 C ATOM 0 H LEU A 39 -5.576 5.295 8.264 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.814 5.674 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.048 3.370 10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.138 3.470 11.467 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.009 3.626 9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.455 2.362 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.506 3.863 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.751 2.297 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.178 1.166 9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.503 1.054 10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.759 1.793 11.242 1.00 0.00 H new ATOM 603 N GLU A 40 -4.589 5.967 12.154 1.00 0.00 N ATOM 604 CA GLU A 40 -3.375 6.479 12.778 1.00 0.00 C ATOM 605 C GLU A 40 -2.577 5.349 13.424 1.00 0.00 C ATOM 606 O GLU A 40 -1.415 5.526 13.791 1.00 0.00 O ATOM 607 CB GLU A 40 -3.721 7.538 13.827 1.00 0.00 C ATOM 608 CG GLU A 40 -4.663 8.615 13.317 1.00 0.00 C ATOM 609 CD GLU A 40 -6.123 8.234 13.469 1.00 0.00 C ATOM 610 OE1 GLU A 40 -6.413 7.286 14.228 1.00 0.00 O ATOM 611 OE2 GLU A 40 -6.975 8.884 12.827 1.00 0.00 O ATOM 0 H GLU A 40 -5.338 5.743 12.809 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.762 6.935 12.000 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.175 7.049 14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.801 8.007 14.175 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.475 9.542 13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.450 8.811 12.266 1.00 0.00 H new ATOM 618 N ASP A 41 -3.210 4.189 13.560 1.00 0.00 N ATOM 619 CA ASP A 41 -2.560 3.030 14.160 1.00 0.00 C ATOM 620 C ASP A 41 -1.403 2.545 13.293 1.00 0.00 C ATOM 621 O ASP A 41 -0.670 1.632 13.671 1.00 0.00 O ATOM 622 CB ASP A 41 -3.571 1.900 14.362 1.00 0.00 C ATOM 623 CG ASP A 41 -4.742 2.318 15.228 1.00 0.00 C ATOM 624 OD1 ASP A 41 -4.653 3.384 15.872 1.00 0.00 O ATOM 625 OD2 ASP A 41 -5.749 1.579 15.263 1.00 0.00 O ATOM 0 H ASP A 41 -4.172 4.026 13.263 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.162 3.329 15.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.941 1.570 13.391 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.071 1.047 14.820 1.00 0.00 H new ATOM 630 N GLY A 42 -1.245 3.163 12.126 1.00 0.00 N ATOM 631 CA GLY A 42 -0.176 2.780 11.222 1.00 0.00 C ATOM 632 C GLY A 42 -0.665 1.910 10.081 1.00 0.00 C ATOM 633 O GLY A 42 -0.023 0.922 9.726 1.00 0.00 O ATOM 0 H GLY A 42 -1.838 3.922 11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.291 3.677 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.593 2.245 11.779 1.00 0.00 H new ATOM 637 N TRP A 43 -1.805 2.277 9.507 1.00 0.00 N ATOM 638 CA TRP A 43 -2.381 1.521 8.400 1.00 0.00 C ATOM 639 C TRP A 43 -3.279 2.407 7.545 1.00 0.00 C ATOM 640 O TRP A 43 -3.596 3.534 7.923 1.00 0.00 O ATOM 641 CB TRP A 43 -3.177 0.327 8.930 1.00 0.00 C ATOM 642 CG TRP A 43 -2.343 -0.644 9.709 1.00 0.00 C ATOM 643 CD1 TRP A 43 -2.011 -0.563 11.032 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.735 -1.842 9.213 1.00 0.00 C ATOM 645 NE1 TRP A 43 -1.233 -1.638 11.387 1.00 0.00 N ATOM 646 CE2 TRP A 43 -1.050 -2.438 10.290 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.705 -2.470 7.965 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -0.342 -3.629 10.154 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -1.002 -3.652 7.832 1.00 0.00 C ATOM 650 CH2 TRP A 43 -0.329 -4.222 8.921 1.00 0.00 C ATOM 0 H TRP A 43 -2.349 3.093 9.789 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.564 1.156 7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.985 0.691 9.564 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.639 -0.193 8.091 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.315 0.229 11.700 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.853 -1.812 12.317 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.222 -2.039 7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.178 -4.069 10.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.971 -4.145 6.872 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.211 -5.148 8.784 1.00 0.00 H new ATOM 661 N MET A 44 -3.686 1.891 6.390 1.00 0.00 N ATOM 662 CA MET A 44 -4.549 2.636 5.481 1.00 0.00 C ATOM 663 C MET A 44 -5.366 1.690 4.607 1.00 0.00 C ATOM 664 O MET A 44 -4.812 0.946 3.797 1.00 0.00 O ATOM 665 CB MET A 44 -3.715 3.570 4.601 1.00 0.00 C ATOM 666 CG MET A 44 -2.788 4.480 5.390 1.00 0.00 C ATOM 667 SD MET A 44 -2.128 5.830 4.393 1.00 0.00 S ATOM 668 CE MET A 44 -0.884 4.968 3.436 1.00 0.00 C ATOM 0 H MET A 44 -3.432 0.959 6.061 1.00 0.00 H new ATOM 0 HA MET A 44 -5.237 3.232 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.122 2.971 3.910 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.385 4.182 3.998 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.329 4.893 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.962 3.892 5.791 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.182 5.690 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.347 4.272 4.080 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.364 4.417 2.627 1.00 0.00 H new ATOM 678 N TRP A 45 -6.682 1.723 4.777 1.00 0.00 N ATOM 679 CA TRP A 45 -7.574 0.867 4.003 1.00 0.00 C ATOM 680 C TRP A 45 -7.570 1.265 2.531 1.00 0.00 C ATOM 681 O TRP A 45 -8.414 2.043 2.087 1.00 0.00 O ATOM 682 CB TRP A 45 -8.997 0.941 4.561 1.00 0.00 C ATOM 683 CG TRP A 45 -9.893 -0.146 4.049 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.836 -0.036 3.067 1.00 0.00 C ATOM 685 CD2 TRP A 45 -9.931 -1.506 4.495 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.458 -1.246 2.876 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.920 -2.164 3.739 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.224 -2.232 5.457 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.219 -3.512 3.918 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.522 -3.569 5.634 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.512 -4.199 4.867 1.00 0.00 C ATOM 0 H TRP A 45 -7.156 2.333 5.444 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.213 -0.158 4.083 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.956 0.886 5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.430 1.909 4.307 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -11.060 0.869 2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.200 -1.431 2.201 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.458 -1.756 6.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.982 -3.998 3.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -8.983 -4.139 6.376 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.721 -5.246 5.028 1.00 0.00 H new ATOM 702 N VAL A 46 -6.615 0.728 1.780 1.00 0.00 N ATOM 703 CA VAL A 46 -6.502 1.027 0.357 1.00 0.00 C ATOM 704 C VAL A 46 -6.962 -0.154 -0.491 1.00 0.00 C ATOM 705 O VAL A 46 -7.117 -1.269 0.009 1.00 0.00 O ATOM 706 CB VAL A 46 -5.055 1.389 -0.028 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.440 2.310 1.015 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.219 0.129 -0.199 1.00 0.00 C ATOM 0 H VAL A 46 -5.908 0.083 2.133 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.147 1.884 0.162 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.072 1.919 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.418 2.555 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.027 3.226 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.434 1.810 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.200 0.403 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.207 -0.430 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.650 -0.490 -0.986 1.00 0.00 H new ATOM 718 N THR A 47 -7.178 0.097 -1.778 1.00 0.00 N ATOM 719 CA THR A 47 -7.620 -0.944 -2.696 1.00 0.00 C ATOM 720 C THR A 47 -6.643 -1.107 -3.855 1.00 0.00 C ATOM 721 O THR A 47 -6.461 -0.193 -4.658 1.00 0.00 O ATOM 722 CB THR A 47 -9.021 -0.639 -3.260 1.00 0.00 C ATOM 723 OG1 THR A 47 -9.868 -0.136 -2.221 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.643 -1.886 -3.870 1.00 0.00 C ATOM 0 H THR A 47 -7.054 1.013 -2.208 1.00 0.00 H new ATOM 0 HA THR A 47 -7.660 -1.872 -2.125 1.00 0.00 H new ATOM 0 HB THR A 47 -8.918 0.114 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.432 0.582 -2.577 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.631 -1.645 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.011 -2.249 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.733 -2.658 -3.106 1.00 0.00 H new ATOM 732 N ASN A 48 -6.018 -2.277 -3.936 1.00 0.00 N ATOM 733 CA ASN A 48 -5.059 -2.559 -4.998 1.00 0.00 C ATOM 734 C ASN A 48 -5.727 -2.487 -6.368 1.00 0.00 C ATOM 735 O ASN A 48 -6.771 -3.100 -6.595 1.00 0.00 O ATOM 736 CB ASN A 48 -4.434 -3.941 -4.795 1.00 0.00 C ATOM 737 CG ASN A 48 -3.023 -4.024 -5.345 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.618 -3.207 -6.172 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.267 -5.015 -4.886 1.00 0.00 N ATOM 0 H ASN A 48 -6.158 -3.045 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.275 -1.803 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.421 -4.178 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.055 -4.693 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.309 -5.122 -5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.645 -5.669 -4.201 1.00 0.00 H new ATOM 746 N LEU A 49 -5.118 -1.734 -7.277 1.00 0.00 N ATOM 747 CA LEU A 49 -5.653 -1.581 -8.626 1.00 0.00 C ATOM 748 C LEU A 49 -5.385 -2.829 -9.462 1.00 0.00 C ATOM 749 O LEU A 49 -5.959 -3.002 -10.537 1.00 0.00 O ATOM 750 CB LEU A 49 -5.037 -0.357 -9.304 1.00 0.00 C ATOM 751 CG LEU A 49 -5.567 1.002 -8.846 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.759 2.129 -9.471 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.042 1.144 -9.193 1.00 0.00 C ATOM 0 H LEU A 49 -4.254 -1.220 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.731 -1.442 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.960 -0.379 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.196 -0.443 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.462 1.065 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.151 3.088 -9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.715 2.038 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.831 2.070 -10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.402 2.117 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.172 1.059 -10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.610 0.357 -8.696 1.00 0.00 H new ATOM 765 N ARG A 50 -4.511 -3.695 -8.961 1.00 0.00 N ATOM 766 CA ARG A 50 -4.168 -4.927 -9.661 1.00 0.00 C ATOM 767 C ARG A 50 -5.074 -6.073 -9.221 1.00 0.00 C ATOM 768 O ARG A 50 -5.533 -6.867 -10.042 1.00 0.00 O ATOM 769 CB ARG A 50 -2.704 -5.293 -9.407 1.00 0.00 C ATOM 770 CG ARG A 50 -2.226 -6.488 -10.214 1.00 0.00 C ATOM 771 CD ARG A 50 -2.450 -7.792 -9.464 1.00 0.00 C ATOM 772 NE ARG A 50 -1.538 -7.937 -8.333 1.00 0.00 N ATOM 773 CZ ARG A 50 -1.443 -9.042 -7.602 1.00 0.00 C ATOM 774 NH1 ARG A 50 -2.200 -10.094 -7.883 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.588 -9.097 -6.588 1.00 0.00 N ATOM 0 H ARG A 50 -4.027 -3.566 -8.072 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.314 -4.761 -10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.077 -4.433 -9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.570 -5.505 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.754 -6.520 -11.167 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.166 -6.375 -10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.479 -7.833 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.316 -8.631 -10.147 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.941 -7.146 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.857 -10.056 -8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.125 -10.941 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.003 -8.290 -6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.516 -9.946 -6.027 1.00 0.00 H new ATOM 789 N THR A 51 -5.327 -6.153 -7.918 1.00 0.00 N ATOM 790 CA THR A 51 -6.176 -7.202 -7.368 1.00 0.00 C ATOM 791 C THR A 51 -7.609 -6.712 -7.189 1.00 0.00 C ATOM 792 O THR A 51 -8.538 -7.512 -7.071 1.00 0.00 O ATOM 793 CB THR A 51 -5.644 -7.703 -6.013 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.981 -6.771 -4.979 1.00 0.00 O ATOM 795 CG2 THR A 51 -4.135 -7.891 -6.060 1.00 0.00 C ATOM 0 H THR A 51 -4.956 -5.504 -7.224 1.00 0.00 H new ATOM 0 HA THR A 51 -6.163 -8.026 -8.082 1.00 0.00 H new ATOM 0 HB THR A 51 -6.108 -8.666 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.641 -7.098 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.782 -8.245 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.883 -8.623 -6.828 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.657 -6.940 -6.294 1.00 0.00 H new ATOM 803 N ASP A 52 -7.781 -5.395 -7.170 1.00 0.00 N ATOM 804 CA ASP A 52 -9.101 -4.799 -7.007 1.00 0.00 C ATOM 805 C ASP A 52 -9.731 -5.227 -5.685 1.00 0.00 C ATOM 806 O ASP A 52 -10.952 -5.343 -5.578 1.00 0.00 O ATOM 807 CB ASP A 52 -10.011 -5.195 -8.171 1.00 0.00 C ATOM 808 CG ASP A 52 -9.663 -4.463 -9.453 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.699 -3.215 -9.452 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.353 -5.139 -10.456 1.00 0.00 O ATOM 0 H ASP A 52 -7.022 -4.720 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.984 -3.715 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.936 -6.270 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.047 -4.985 -7.906 1.00 0.00 H new ATOM 815 N GLU A 53 -8.890 -5.460 -4.683 1.00 0.00 N ATOM 816 CA GLU A 53 -9.365 -5.877 -3.369 1.00 0.00 C ATOM 817 C GLU A 53 -8.899 -4.906 -2.288 1.00 0.00 C ATOM 818 O GLU A 53 -7.881 -4.232 -2.443 1.00 0.00 O ATOM 819 CB GLU A 53 -8.872 -7.289 -3.048 1.00 0.00 C ATOM 820 CG GLU A 53 -9.512 -8.368 -3.906 1.00 0.00 C ATOM 821 CD GLU A 53 -10.840 -8.844 -3.350 1.00 0.00 C ATOM 822 OE1 GLU A 53 -10.889 -9.199 -2.154 1.00 0.00 O ATOM 823 OE2 GLU A 53 -11.830 -8.861 -4.111 1.00 0.00 O ATOM 0 H GLU A 53 -7.877 -5.367 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.455 -5.876 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.791 -7.326 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.073 -7.505 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.662 -7.984 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.831 -9.215 -3.986 1.00 0.00 H new ATOM 830 N GLN A 54 -9.653 -4.839 -1.196 1.00 0.00 N ATOM 831 CA GLN A 54 -9.318 -3.950 -0.090 1.00 0.00 C ATOM 832 C GLN A 54 -8.491 -4.678 0.964 1.00 0.00 C ATOM 833 O GLN A 54 -8.609 -5.891 1.131 1.00 0.00 O ATOM 834 CB GLN A 54 -10.592 -3.387 0.544 1.00 0.00 C ATOM 835 CG GLN A 54 -11.658 -3.006 -0.470 1.00 0.00 C ATOM 836 CD GLN A 54 -13.060 -3.072 0.104 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.250 -3.428 1.267 1.00 0.00 O ATOM 838 NE2 GLN A 54 -14.050 -2.728 -0.710 1.00 0.00 N ATOM 0 H GLN A 54 -10.500 -5.389 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.723 -3.127 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.003 -4.126 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.336 -2.509 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.465 -1.996 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.590 -3.672 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.847 -2.439 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.014 -2.752 -0.379 1.00 0.00 H new ATOM 847 N GLY A 55 -7.652 -3.929 1.673 1.00 0.00 N ATOM 848 CA GLY A 55 -6.817 -4.521 2.702 1.00 0.00 C ATOM 849 C GLY A 55 -6.082 -3.480 3.522 1.00 0.00 C ATOM 850 O GLY A 55 -6.047 -2.304 3.159 1.00 0.00 O ATOM 0 H GLY A 55 -7.536 -2.923 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.436 -5.129 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.093 -5.191 2.238 1.00 0.00 H new ATOM 854 N LEU A 56 -5.494 -3.912 4.633 1.00 0.00 N ATOM 855 CA LEU A 56 -4.757 -3.008 5.509 1.00 0.00 C ATOM 856 C LEU A 56 -3.261 -3.064 5.216 1.00 0.00 C ATOM 857 O LEU A 56 -2.617 -4.093 5.422 1.00 0.00 O ATOM 858 CB LEU A 56 -5.015 -3.363 6.974 1.00 0.00 C ATOM 859 CG LEU A 56 -6.448 -3.169 7.470 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.720 -4.053 8.677 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.702 -1.707 7.809 1.00 0.00 C ATOM 0 H LEU A 56 -5.513 -4.882 4.948 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.107 -1.993 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.736 -4.405 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.352 -2.760 7.595 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.131 -3.460 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.745 -3.901 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.580 -5.098 8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.030 -3.794 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.727 -1.588 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.011 -1.389 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.550 -1.096 6.920 1.00 0.00 H new ATOM 873 N ILE A 57 -2.715 -1.952 4.737 1.00 0.00 N ATOM 874 CA ILE A 57 -1.295 -1.874 4.419 1.00 0.00 C ATOM 875 C ILE A 57 -0.585 -0.865 5.315 1.00 0.00 C ATOM 876 O ILE A 57 -1.216 0.024 5.888 1.00 0.00 O ATOM 877 CB ILE A 57 -1.068 -1.486 2.946 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.727 -0.138 2.644 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.611 -2.566 2.023 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.102 0.592 1.477 1.00 0.00 C ATOM 0 H ILE A 57 -3.235 -1.092 4.560 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.878 -2.866 4.593 1.00 0.00 H new ATOM 0 HB ILE A 57 0.004 -1.393 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.785 -0.298 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.668 0.493 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.443 -2.276 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.100 -3.507 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.680 -2.689 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.619 1.539 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.050 0.784 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.185 -0.020 0.579 1.00 0.00 H new ATOM 892 N VAL A 58 0.732 -1.006 5.430 1.00 0.00 N ATOM 893 CA VAL A 58 1.529 -0.105 6.253 1.00 0.00 C ATOM 894 C VAL A 58 2.183 0.980 5.405 1.00 0.00 C ATOM 895 O VAL A 58 2.718 0.704 4.332 1.00 0.00 O ATOM 896 CB VAL A 58 2.622 -0.868 7.024 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.834 -1.105 6.138 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.012 -0.110 8.284 1.00 0.00 C ATOM 0 H VAL A 58 1.269 -1.736 4.963 1.00 0.00 H new ATOM 0 HA VAL A 58 0.848 0.358 6.967 1.00 0.00 H new ATOM 0 HB VAL A 58 2.224 -1.838 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.596 -1.645 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.540 -1.693 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.237 -0.147 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.785 -0.663 8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.392 0.875 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.138 0.002 8.926 1.00 0.00 H new ATOM 908 N GLU A 59 2.137 2.215 5.895 1.00 0.00 N ATOM 909 CA GLU A 59 2.726 3.342 5.181 1.00 0.00 C ATOM 910 C GLU A 59 4.240 3.183 5.068 1.00 0.00 C ATOM 911 O GLU A 59 4.874 3.777 4.196 1.00 0.00 O ATOM 912 CB GLU A 59 2.392 4.655 5.891 1.00 0.00 C ATOM 913 CG GLU A 59 3.031 4.785 7.264 1.00 0.00 C ATOM 914 CD GLU A 59 3.096 6.222 7.743 1.00 0.00 C ATOM 915 OE1 GLU A 59 2.074 6.724 8.254 1.00 0.00 O ATOM 916 OE2 GLU A 59 4.171 6.844 7.608 1.00 0.00 O ATOM 0 H GLU A 59 1.698 2.460 6.783 1.00 0.00 H new ATOM 0 HA GLU A 59 2.304 3.363 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.717 5.488 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.310 4.737 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.465 4.192 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.039 4.370 7.232 1.00 0.00 H new ATOM 923 N ASP A 60 4.812 2.378 5.957 1.00 0.00 N ATOM 924 CA ASP A 60 6.251 2.140 5.958 1.00 0.00 C ATOM 925 C ASP A 60 6.653 1.239 4.795 1.00 0.00 C ATOM 926 O ASP A 60 7.829 0.914 4.625 1.00 0.00 O ATOM 927 CB ASP A 60 6.684 1.510 7.282 1.00 0.00 C ATOM 928 CG ASP A 60 8.140 1.783 7.605 1.00 0.00 C ATOM 929 OD1 ASP A 60 8.923 2.016 6.660 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.497 1.764 8.802 1.00 0.00 O ATOM 0 H ASP A 60 4.301 1.879 6.686 1.00 0.00 H new ATOM 0 HA ASP A 60 6.754 3.100 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.058 1.896 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.520 0.433 7.239 1.00 0.00 H new ATOM 935 N LEU A 61 5.670 0.836 3.998 1.00 0.00 N ATOM 936 CA LEU A 61 5.921 -0.030 2.851 1.00 0.00 C ATOM 937 C LEU A 61 5.680 0.717 1.542 1.00 0.00 C ATOM 938 O LEU A 61 6.332 0.448 0.533 1.00 0.00 O ATOM 939 CB LEU A 61 5.026 -1.268 2.916 1.00 0.00 C ATOM 940 CG LEU A 61 5.540 -2.423 3.777 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.477 -3.501 3.914 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.816 -3.003 3.184 1.00 0.00 C ATOM 0 H LEU A 61 4.692 1.095 4.125 1.00 0.00 H new ATOM 0 HA LEU A 61 6.965 -0.342 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.049 -0.966 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.875 -1.637 1.901 1.00 0.00 H new ATOM 0 HG LEU A 61 5.767 -2.037 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.861 -4.314 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.589 -3.078 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.218 -3.884 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.168 -3.824 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.614 -3.373 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.581 -2.228 3.138 1.00 0.00 H new ATOM 954 N VAL A 62 4.741 1.657 1.567 1.00 0.00 N ATOM 955 CA VAL A 62 4.416 2.445 0.384 1.00 0.00 C ATOM 956 C VAL A 62 4.891 3.885 0.536 1.00 0.00 C ATOM 957 O VAL A 62 5.376 4.280 1.596 1.00 0.00 O ATOM 958 CB VAL A 62 2.901 2.442 0.106 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.357 1.022 0.126 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.173 3.315 1.117 1.00 0.00 C ATOM 0 H VAL A 62 4.192 1.892 2.394 1.00 0.00 H new ATOM 0 HA VAL A 62 4.933 1.982 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 62 2.730 2.856 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.285 1.040 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.858 0.430 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.537 0.577 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.104 3.302 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.349 2.932 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.544 4.338 1.048 1.00 0.00 H new ATOM 970 N GLU A 63 4.748 4.666 -0.530 1.00 0.00 N ATOM 971 CA GLU A 63 5.163 6.063 -0.515 1.00 0.00 C ATOM 972 C GLU A 63 4.008 6.979 -0.913 1.00 0.00 C ATOM 973 O GLU A 63 3.018 6.530 -1.488 1.00 0.00 O ATOM 974 CB GLU A 63 6.347 6.277 -1.460 1.00 0.00 C ATOM 975 CG GLU A 63 5.968 6.223 -2.931 1.00 0.00 C ATOM 976 CD GLU A 63 5.581 7.581 -3.484 1.00 0.00 C ATOM 977 OE1 GLU A 63 6.464 8.460 -3.573 1.00 0.00 O ATOM 978 OE2 GLU A 63 4.395 7.765 -3.828 1.00 0.00 O ATOM 0 H GLU A 63 4.348 4.354 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 63 5.469 6.313 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.802 7.244 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.103 5.518 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.806 5.827 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.136 5.531 -3.063 1.00 0.00 H new ATOM 985 N GLU A 64 4.145 8.264 -0.600 1.00 0.00 N ATOM 986 CA GLU A 64 3.112 9.241 -0.923 1.00 0.00 C ATOM 987 C GLU A 64 3.212 9.675 -2.383 1.00 0.00 C ATOM 988 O GLU A 64 4.279 10.071 -2.853 1.00 0.00 O ATOM 989 CB GLU A 64 3.230 10.462 -0.008 1.00 0.00 C ATOM 990 CG GLU A 64 4.410 11.359 -0.338 1.00 0.00 C ATOM 991 CD GLU A 64 4.800 12.260 0.818 1.00 0.00 C ATOM 992 OE1 GLU A 64 4.867 11.762 1.961 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.037 13.463 0.580 1.00 0.00 O ATOM 0 H GLU A 64 4.960 8.652 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 64 2.141 8.771 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.312 11.045 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.319 10.124 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.264 10.742 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.164 11.972 -1.205 1.00 0.00 H new ATOM 1000 N VAL A 65 2.092 9.597 -3.095 1.00 0.00 N ATOM 1001 CA VAL A 65 2.052 9.982 -4.501 1.00 0.00 C ATOM 1002 C VAL A 65 1.488 11.388 -4.670 1.00 0.00 C ATOM 1003 O VAL A 65 0.293 11.615 -4.484 1.00 0.00 O ATOM 1004 CB VAL A 65 1.205 8.997 -5.328 1.00 0.00 C ATOM 1005 CG1 VAL A 65 1.027 9.509 -6.750 1.00 0.00 C ATOM 1006 CG2 VAL A 65 1.840 7.615 -5.326 1.00 0.00 C ATOM 0 H VAL A 65 1.201 9.271 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 65 3.079 9.960 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 65 0.219 8.919 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.426 8.800 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.524 10.476 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.003 9.618 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.228 6.932 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.839 7.673 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.910 7.248 -4.302 1.00 0.00 H new ATOM 1016 N SER A 66 2.357 12.330 -5.024 1.00 0.00 N ATOM 1017 CA SER A 66 1.946 13.716 -5.215 1.00 0.00 C ATOM 1018 C SER A 66 0.937 13.831 -6.354 1.00 0.00 C ATOM 1019 O SER A 66 1.148 13.297 -7.442 1.00 0.00 O ATOM 1020 CB SER A 66 3.164 14.595 -5.507 1.00 0.00 C ATOM 1021 OG SER A 66 2.905 15.949 -5.180 1.00 0.00 O ATOM 0 H SER A 66 3.350 12.158 -5.184 1.00 0.00 H new ATOM 0 HA SER A 66 1.471 14.059 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.020 14.237 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.429 14.516 -6.561 1.00 0.00 H new ATOM 0 HG SER A 66 3.699 16.490 -5.374 1.00 0.00 H new ATOM 1027 N GLY A 67 -0.162 14.533 -6.094 1.00 0.00 N ATOM 1028 CA GLY A 67 -1.188 14.707 -7.105 1.00 0.00 C ATOM 1029 C GLY A 67 -0.929 15.907 -7.994 1.00 0.00 C ATOM 1030 O GLY A 67 -0.354 16.909 -7.569 1.00 0.00 O ATOM 0 H GLY A 67 -0.360 14.984 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.244 13.809 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.157 14.821 -6.619 1.00 0.00 H new ATOM 1034 N PRO A 68 -1.357 15.812 -9.262 1.00 0.00 N ATOM 1035 CA PRO A 68 -1.178 16.889 -10.240 1.00 0.00 C ATOM 1036 C PRO A 68 -2.049 18.102 -9.933 1.00 0.00 C ATOM 1037 O PRO A 68 -3.144 17.970 -9.387 1.00 0.00 O ATOM 1038 CB PRO A 68 -1.607 16.244 -11.560 1.00 0.00 C ATOM 1039 CG PRO A 68 -2.544 15.156 -11.163 1.00 0.00 C ATOM 1040 CD PRO A 68 -2.050 14.647 -9.837 1.00 0.00 C ATOM 0 HA PRO A 68 -0.156 17.267 -10.246 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.094 16.967 -12.214 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.749 15.849 -12.105 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.564 15.530 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.555 14.360 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.872 14.315 -9.203 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.377 13.798 -9.958 1.00 0.00 H new ATOM 1048 N SER A 69 -1.556 19.285 -10.287 1.00 0.00 N ATOM 1049 CA SER A 69 -2.288 20.522 -10.046 1.00 0.00 C ATOM 1050 C SER A 69 -2.452 21.317 -11.338 1.00 0.00 C ATOM 1051 O SER A 69 -1.476 21.799 -11.912 1.00 0.00 O ATOM 1052 CB SER A 69 -1.564 21.372 -8.999 1.00 0.00 C ATOM 1053 OG SER A 69 -2.347 22.492 -8.622 1.00 0.00 O ATOM 0 H SER A 69 -0.652 19.412 -10.742 1.00 0.00 H new ATOM 0 HA SER A 69 -3.278 20.262 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.346 20.765 -8.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.608 21.710 -9.398 1.00 0.00 H new ATOM 0 HG SER A 69 -1.864 23.018 -7.951 1.00 0.00 H new ATOM 1059 N SER A 70 -3.695 21.449 -11.789 1.00 0.00 N ATOM 1060 CA SER A 70 -3.989 22.182 -13.016 1.00 0.00 C ATOM 1061 C SER A 70 -4.379 23.624 -12.706 1.00 0.00 C ATOM 1062 O SER A 70 -5.354 23.877 -12.000 1.00 0.00 O ATOM 1063 CB SER A 70 -5.114 21.492 -13.790 1.00 0.00 C ATOM 1064 OG SER A 70 -5.278 22.069 -15.074 1.00 0.00 O ATOM 0 H SER A 70 -4.515 21.059 -11.324 1.00 0.00 H new ATOM 0 HA SER A 70 -3.088 22.191 -13.630 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.892 20.430 -13.891 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.046 21.571 -13.231 1.00 0.00 H new ATOM 0 HG SER A 70 -6.002 21.609 -15.549 1.00 0.00 H new ATOM 1070 N GLY A 71 -3.610 24.567 -13.242 1.00 0.00 N ATOM 1071 CA GLY A 71 -3.890 25.972 -13.013 1.00 0.00 C ATOM 1072 C GLY A 71 -5.375 26.278 -13.030 1.00 0.00 C ATOM 1073 O GLY A 71 -6.098 25.822 -13.916 1.00 0.00 O ATOM 0 H GLY A 71 -2.798 24.383 -13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.472 26.271 -12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.391 26.568 -13.777 1.00 0.00 H new TER 1077 GLY A 71