USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 13:sc= 0.629! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 37 SER OG : rot 150:sc= -1.13 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 103:sc= -0.0662 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0.107 (180deg=0.0663) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.894 -9.996 -5.624 1.00 0.00 N ATOM 2 CA SER A 1 -10.041 -8.780 -5.512 1.00 0.00 C ATOM 3 C SER A 1 -8.777 -8.964 -6.356 1.00 0.00 C ATOM 4 O SER A 1 -8.089 -9.960 -6.250 1.00 0.00 O ATOM 5 CB SER A 1 -9.651 -8.563 -4.050 1.00 0.00 C ATOM 6 OG SER A 1 -8.698 -9.547 -3.667 1.00 0.00 O ATOM 0 H1 SER A 1 -11.753 -9.872 -5.051 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.160 -10.143 -6.619 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.366 -10.823 -5.281 1.00 0.00 H new ATOM 0 HA SER A 1 -10.595 -7.913 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.234 -7.565 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.533 -8.627 -3.413 1.00 0.00 H new ATOM 0 HG SER A 1 -8.363 -10.006 -4.465 1.00 0.00 H new ATOM 14 N GLU A 2 -8.467 -8.011 -7.191 1.00 0.00 N ATOM 15 CA GLU A 2 -7.248 -8.133 -8.039 1.00 0.00 C ATOM 16 C GLU A 2 -6.049 -7.541 -7.296 1.00 0.00 C ATOM 17 O GLU A 2 -6.200 -6.787 -6.355 1.00 0.00 O ATOM 18 CB GLU A 2 -7.461 -7.373 -9.351 1.00 0.00 C ATOM 19 CG GLU A 2 -8.314 -8.218 -10.299 1.00 0.00 C ATOM 20 CD GLU A 2 -9.751 -8.275 -9.780 1.00 0.00 C ATOM 21 OE1 GLU A 2 -10.211 -7.273 -9.256 1.00 0.00 O ATOM 22 OE2 GLU A 2 -10.369 -9.318 -9.915 1.00 0.00 O ATOM 0 H GLU A 2 -9.004 -7.154 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.059 -9.185 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.952 -6.420 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.500 -7.148 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.295 -7.790 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.903 -9.225 -10.375 1.00 0.00 H new ATOM 29 N ILE A 3 -4.858 -7.877 -7.710 1.00 0.00 N ATOM 30 CA ILE A 3 -3.650 -7.333 -7.026 1.00 0.00 C ATOM 31 C ILE A 3 -2.934 -6.354 -7.958 1.00 0.00 C ATOM 32 O ILE A 3 -2.814 -6.585 -9.145 1.00 0.00 O ATOM 33 CB ILE A 3 -2.705 -8.483 -6.671 1.00 0.00 C ATOM 34 CG1 ILE A 3 -3.369 -9.383 -5.626 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.404 -7.915 -6.101 1.00 0.00 C ATOM 36 CD1 ILE A 3 -4.465 -10.216 -6.292 1.00 0.00 C ATOM 0 H ILE A 3 -4.669 -8.504 -8.492 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.950 -6.814 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.486 -9.065 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.626 -10.038 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.794 -8.777 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.730 -8.733 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.931 -7.272 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.622 -7.334 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.938 -10.857 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.212 -9.553 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.027 -10.833 -7.077 1.00 0.00 H new ATOM 48 N ILE A 4 -2.457 -5.260 -7.430 1.00 0.00 N ATOM 49 CA ILE A 4 -1.749 -4.267 -8.286 1.00 0.00 C ATOM 50 C ILE A 4 -0.264 -4.248 -7.922 1.00 0.00 C ATOM 51 O ILE A 4 0.102 -4.292 -6.764 1.00 0.00 O ATOM 52 CB ILE A 4 -2.348 -2.878 -8.058 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.803 -2.866 -8.531 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.549 -1.840 -8.848 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.712 -2.433 -7.378 1.00 0.00 C ATOM 0 H ILE A 4 -2.527 -5.011 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.863 -4.544 -9.334 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.308 -2.637 -6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.917 -2.184 -9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.090 -3.857 -8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.976 -0.851 -8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.512 -1.847 -8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.588 -2.082 -9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.748 -2.425 -7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.606 -3.132 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.430 -1.433 -7.048 1.00 0.00 H new ATOM 67 N ARG A 5 0.596 -4.182 -8.901 1.00 0.00 N ATOM 68 CA ARG A 5 2.057 -4.160 -8.610 1.00 0.00 C ATOM 69 C ARG A 5 2.675 -2.887 -9.193 1.00 0.00 C ATOM 70 O ARG A 5 2.064 -2.196 -9.985 1.00 0.00 O ATOM 71 CB ARG A 5 2.721 -5.385 -9.243 1.00 0.00 C ATOM 72 CG ARG A 5 2.756 -5.219 -10.764 1.00 0.00 C ATOM 73 CD ARG A 5 2.854 -6.595 -11.426 1.00 0.00 C ATOM 74 NE ARG A 5 1.968 -6.634 -12.623 1.00 0.00 N ATOM 75 CZ ARG A 5 1.764 -7.763 -13.246 1.00 0.00 C ATOM 76 NH1 ARG A 5 2.533 -8.789 -13.005 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.792 -7.863 -14.111 1.00 0.00 N ATOM 0 H ARG A 5 0.350 -4.142 -9.890 1.00 0.00 H new ATOM 0 HA ARG A 5 2.213 -4.178 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.733 -5.504 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.171 -6.288 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.858 -4.703 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.607 -4.603 -11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.885 -6.798 -11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.563 -7.372 -10.719 1.00 0.00 H new ATOM 0 HE ARG A 5 1.521 -5.779 -12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.293 -8.709 -12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.374 -9.671 -13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.193 -7.060 -14.300 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.632 -8.745 -14.598 1.00 0.00 H new ATOM 91 N VAL A 6 3.880 -2.571 -8.809 1.00 0.00 N ATOM 92 CA VAL A 6 4.535 -1.344 -9.341 1.00 0.00 C ATOM 93 C VAL A 6 4.391 -1.312 -10.868 1.00 0.00 C ATOM 94 O VAL A 6 4.473 -2.337 -11.514 1.00 0.00 O ATOM 95 CB VAL A 6 6.018 -1.357 -8.968 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.733 -0.195 -9.660 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.163 -1.212 -7.452 1.00 0.00 C ATOM 0 H VAL A 6 4.440 -3.110 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 6 4.061 -0.461 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 6 6.463 -2.299 -9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.790 -0.207 -9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.631 -0.297 -10.740 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.288 0.748 -9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.220 -1.221 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.716 -0.271 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.657 -2.041 -6.957 1.00 0.00 H new ATOM 107 N PRO A 7 4.180 -0.133 -11.398 1.00 0.00 N ATOM 108 CA PRO A 7 4.020 0.065 -12.849 1.00 0.00 C ATOM 109 C PRO A 7 5.384 0.037 -13.546 1.00 0.00 C ATOM 110 O PRO A 7 6.392 -0.279 -12.946 1.00 0.00 O ATOM 111 CB PRO A 7 3.381 1.453 -12.953 1.00 0.00 C ATOM 112 CG PRO A 7 3.728 2.192 -11.639 1.00 0.00 C ATOM 113 CD PRO A 7 4.082 1.109 -10.603 1.00 0.00 C ATOM 0 HA PRO A 7 3.421 -0.711 -13.325 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.767 1.995 -13.817 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.301 1.375 -13.082 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.565 2.874 -11.788 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.885 2.793 -11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.021 1.333 -10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.316 1.029 -9.832 1.00 0.00 H new ATOM 121 N ASP A 8 5.422 0.368 -14.807 1.00 0.00 N ATOM 122 CA ASP A 8 6.719 0.361 -15.540 1.00 0.00 C ATOM 123 C ASP A 8 7.435 1.695 -15.321 1.00 0.00 C ATOM 124 O ASP A 8 7.110 2.694 -15.932 1.00 0.00 O ATOM 125 CB ASP A 8 6.459 0.162 -17.035 1.00 0.00 C ATOM 126 CG ASP A 8 7.791 0.000 -17.769 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.376 -1.065 -17.665 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.205 0.944 -18.421 1.00 0.00 O ATOM 0 H ASP A 8 4.611 0.643 -15.361 1.00 0.00 H new ATOM 0 HA ASP A 8 7.342 -0.452 -15.168 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.836 -0.718 -17.192 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.912 1.015 -17.436 1.00 0.00 H new ATOM 133 N ILE A 9 8.408 1.720 -14.451 1.00 0.00 N ATOM 134 CA ILE A 9 9.144 2.993 -14.192 1.00 0.00 C ATOM 135 C ILE A 9 10.499 2.946 -14.902 1.00 0.00 C ATOM 136 O ILE A 9 11.064 3.963 -15.249 1.00 0.00 O ATOM 137 CB ILE A 9 9.370 3.187 -12.683 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.813 1.991 -11.899 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.660 4.461 -12.225 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.928 2.267 -10.399 1.00 0.00 C ATOM 0 H ILE A 9 8.725 0.916 -13.909 1.00 0.00 H new ATOM 0 HA ILE A 9 8.551 3.826 -14.570 1.00 0.00 H new ATOM 0 HB ILE A 9 10.441 3.266 -12.495 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.771 1.819 -12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.363 1.086 -12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.818 4.601 -11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.063 5.317 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.592 4.374 -12.425 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.533 1.418 -9.841 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.975 2.418 -10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.358 3.162 -10.149 1.00 0.00 H new ATOM 152 N GLY A 10 11.024 1.772 -15.121 1.00 0.00 N ATOM 153 CA GLY A 10 12.341 1.661 -15.809 1.00 0.00 C ATOM 154 C GLY A 10 13.451 1.506 -14.768 1.00 0.00 C ATOM 155 O GLY A 10 14.549 1.996 -14.940 1.00 0.00 O ATOM 0 H GLY A 10 10.598 0.885 -14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.339 0.805 -16.484 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.521 2.547 -16.418 1.00 0.00 H new ATOM 159 N GLY A 11 13.174 0.828 -13.689 1.00 0.00 N ATOM 160 CA GLY A 11 14.214 0.642 -12.637 1.00 0.00 C ATOM 161 C GLY A 11 13.539 0.448 -11.278 1.00 0.00 C ATOM 162 O GLY A 11 12.602 -0.312 -11.143 1.00 0.00 O ATOM 0 H GLY A 11 12.273 0.394 -13.490 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.834 -0.223 -12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.874 1.509 -12.606 1.00 0.00 H new ATOM 166 N ASP A 12 14.009 1.131 -10.270 1.00 0.00 N ATOM 167 CA ASP A 12 13.394 0.985 -8.920 1.00 0.00 C ATOM 168 C ASP A 12 12.820 2.331 -8.473 1.00 0.00 C ATOM 169 O ASP A 12 13.080 3.357 -9.070 1.00 0.00 O ATOM 170 CB ASP A 12 14.459 0.527 -7.921 1.00 0.00 C ATOM 171 CG ASP A 12 15.703 1.404 -8.064 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.549 2.613 -8.120 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.791 0.852 -8.116 1.00 0.00 O ATOM 0 H ASP A 12 14.791 1.783 -10.323 1.00 0.00 H new ATOM 0 HA ASP A 12 12.594 0.245 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.071 0.591 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.715 -0.517 -8.099 1.00 0.00 H new ATOM 178 N GLY A 13 12.041 2.337 -7.426 1.00 0.00 N ATOM 179 CA GLY A 13 11.451 3.617 -6.941 1.00 0.00 C ATOM 180 C GLY A 13 11.290 3.563 -5.422 1.00 0.00 C ATOM 181 O GLY A 13 10.725 2.632 -4.881 1.00 0.00 O ATOM 0 H GLY A 13 11.787 1.510 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.092 4.453 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.483 3.786 -7.414 1.00 0.00 H new ATOM 185 N GLU A 14 11.780 4.553 -4.728 1.00 0.00 N ATOM 186 CA GLU A 14 11.653 4.557 -3.243 1.00 0.00 C ATOM 187 C GLU A 14 10.342 5.240 -2.846 1.00 0.00 C ATOM 188 O GLU A 14 9.996 6.286 -3.357 1.00 0.00 O ATOM 189 CB GLU A 14 12.830 5.318 -2.633 1.00 0.00 C ATOM 190 CG GLU A 14 13.074 4.825 -1.205 1.00 0.00 C ATOM 191 CD GLU A 14 12.327 5.724 -0.219 1.00 0.00 C ATOM 192 OE1 GLU A 14 12.610 6.910 -0.198 1.00 0.00 O ATOM 193 OE2 GLU A 14 11.485 5.211 0.500 1.00 0.00 O ATOM 0 H GLU A 14 12.263 5.359 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 14 11.654 3.531 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.725 5.170 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.622 6.388 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.735 3.794 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.141 4.833 -0.984 1.00 0.00 H new ATOM 200 N VAL A 15 9.611 4.657 -1.936 1.00 0.00 N ATOM 201 CA VAL A 15 8.325 5.273 -1.506 1.00 0.00 C ATOM 202 C VAL A 15 8.611 6.479 -0.609 1.00 0.00 C ATOM 203 O VAL A 15 9.658 6.578 -0.001 1.00 0.00 O ATOM 204 CB VAL A 15 7.500 4.245 -0.730 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.095 4.797 -0.484 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.404 2.951 -1.543 1.00 0.00 C ATOM 0 H VAL A 15 9.849 3.781 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 15 7.767 5.598 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 15 7.982 4.040 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.508 4.064 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.162 5.719 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.612 5.002 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.816 2.217 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.923 3.157 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.405 2.556 -1.718 1.00 0.00 H new ATOM 216 N ILE A 16 7.688 7.397 -0.521 1.00 0.00 N ATOM 217 CA ILE A 16 7.908 8.595 0.337 1.00 0.00 C ATOM 218 C ILE A 16 6.895 8.595 1.483 1.00 0.00 C ATOM 219 O ILE A 16 7.257 8.594 2.644 1.00 0.00 O ATOM 220 CB ILE A 16 7.729 9.863 -0.500 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.650 9.800 -1.721 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.086 11.087 0.344 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.109 9.852 -1.264 1.00 0.00 C ATOM 0 H ILE A 16 6.791 7.369 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 16 8.919 8.568 0.744 1.00 0.00 H new ATOM 0 HB ILE A 16 6.692 9.939 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.466 8.883 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.438 10.632 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.958 11.990 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.432 11.132 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.123 11.013 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.765 9.807 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.288 10.781 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.316 9.005 -0.610 1.00 0.00 H new ATOM 235 N GLU A 17 5.629 8.594 1.169 1.00 0.00 N ATOM 236 CA GLU A 17 4.594 8.592 2.242 1.00 0.00 C ATOM 237 C GLU A 17 3.318 7.930 1.719 1.00 0.00 C ATOM 238 O GLU A 17 3.122 7.793 0.528 1.00 0.00 O ATOM 239 CB GLU A 17 4.289 10.033 2.657 1.00 0.00 C ATOM 240 CG GLU A 17 3.690 10.044 4.064 1.00 0.00 C ATOM 241 CD GLU A 17 4.638 10.773 5.017 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.532 10.129 5.540 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.454 11.964 5.207 1.00 0.00 O ATOM 0 H GLU A 17 5.266 8.594 0.216 1.00 0.00 H new ATOM 0 HA GLU A 17 4.964 8.036 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.201 10.630 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.593 10.486 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.718 10.537 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.525 9.023 4.408 1.00 0.00 H new ATOM 250 N LEU A 18 2.449 7.517 2.601 1.00 0.00 N ATOM 251 CA LEU A 18 1.186 6.865 2.153 1.00 0.00 C ATOM 252 C LEU A 18 -0.008 7.727 2.568 1.00 0.00 C ATOM 253 O LEU A 18 -0.315 7.858 3.736 1.00 0.00 O ATOM 254 CB LEU A 18 1.069 5.484 2.802 1.00 0.00 C ATOM 255 CG LEU A 18 0.804 4.433 1.721 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.124 3.775 1.314 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.148 3.368 2.271 1.00 0.00 C ATOM 0 H LEU A 18 2.559 7.603 3.611 1.00 0.00 H new ATOM 0 HA LEU A 18 1.196 6.758 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.986 5.244 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.260 5.481 3.533 1.00 0.00 H new ATOM 0 HG LEU A 18 0.354 4.911 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.935 3.027 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.803 4.533 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.575 3.296 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.338 2.618 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.304 2.890 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.088 3.836 2.562 1.00 0.00 H new ATOM 269 N LEU A 19 -0.685 8.315 1.619 1.00 0.00 N ATOM 270 CA LEU A 19 -1.858 9.167 1.961 1.00 0.00 C ATOM 271 C LEU A 19 -3.140 8.337 1.856 1.00 0.00 C ATOM 272 O LEU A 19 -4.188 8.837 1.504 1.00 0.00 O ATOM 273 CB LEU A 19 -1.933 10.345 0.987 1.00 0.00 C ATOM 274 CG LEU A 19 -1.927 9.821 -0.450 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.201 10.275 -1.164 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.706 10.376 -1.188 1.00 0.00 C ATOM 0 H LEU A 19 -0.476 8.242 0.623 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.750 9.542 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.838 10.925 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.088 11.015 1.144 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.884 8.732 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.197 9.902 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.072 9.883 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.243 11.364 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.700 10.004 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.751 11.465 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.203 10.055 -0.680 1.00 0.00 H new ATOM 288 N VAL A 20 -3.063 7.070 2.159 1.00 0.00 N ATOM 289 CA VAL A 20 -4.276 6.209 2.077 1.00 0.00 C ATOM 290 C VAL A 20 -4.246 5.177 3.206 1.00 0.00 C ATOM 291 O VAL A 20 -3.217 4.916 3.795 1.00 0.00 O ATOM 292 CB VAL A 20 -4.300 5.489 0.728 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.365 6.519 -0.400 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.029 4.650 0.576 1.00 0.00 C ATOM 0 H VAL A 20 -2.212 6.594 2.460 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.168 6.828 2.174 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.174 4.840 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.382 6.005 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.269 7.119 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.491 7.168 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.045 4.136 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.156 5.300 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.980 3.915 1.379 1.00 0.00 H new ATOM 304 N LYS A 21 -5.369 4.586 3.512 1.00 0.00 N ATOM 305 CA LYS A 21 -5.404 3.572 4.602 1.00 0.00 C ATOM 306 C LYS A 21 -6.176 2.339 4.127 1.00 0.00 C ATOM 307 O LYS A 21 -6.607 2.263 2.994 1.00 0.00 O ATOM 308 CB LYS A 21 -6.099 4.166 5.830 1.00 0.00 C ATOM 309 CG LYS A 21 -5.062 4.444 6.918 1.00 0.00 C ATOM 310 CD LYS A 21 -5.024 5.944 7.218 1.00 0.00 C ATOM 311 CE LYS A 21 -3.615 6.343 7.658 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.434 6.016 9.100 1.00 0.00 N ATOM 0 H LYS A 21 -6.263 4.762 3.054 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.385 3.285 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.614 5.088 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.856 3.476 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.310 3.888 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.079 4.102 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.313 6.510 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.743 6.187 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.872 5.816 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.459 7.409 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.476 6.287 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.134 6.538 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.565 4.994 9.243 1.00 0.00 H new ATOM 326 N THR A 22 -6.353 1.371 4.985 1.00 0.00 N ATOM 327 CA THR A 22 -7.097 0.145 4.582 1.00 0.00 C ATOM 328 C THR A 22 -8.601 0.408 4.671 1.00 0.00 C ATOM 329 O THR A 22 -9.069 1.097 5.556 1.00 0.00 O ATOM 330 CB THR A 22 -6.723 -1.008 5.516 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.342 -0.925 5.839 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.008 -2.342 4.823 1.00 0.00 C ATOM 0 H THR A 22 -6.014 1.377 5.947 1.00 0.00 H new ATOM 0 HA THR A 22 -6.836 -0.119 3.557 1.00 0.00 H new ATOM 0 HB THR A 22 -7.314 -0.942 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.101 -1.662 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.741 -3.162 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.068 -2.405 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.418 -2.410 3.909 1.00 0.00 H new ATOM 340 N GLY A 23 -9.364 -0.136 3.763 1.00 0.00 N ATOM 341 CA GLY A 23 -10.837 0.084 3.797 1.00 0.00 C ATOM 342 C GLY A 23 -11.175 1.419 3.130 1.00 0.00 C ATOM 343 O GLY A 23 -12.317 1.829 3.083 1.00 0.00 O ATOM 0 H GLY A 23 -9.031 -0.724 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.348 -0.730 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.191 0.082 4.828 1.00 0.00 H new ATOM 347 N ASP A 24 -10.190 2.102 2.612 1.00 0.00 N ATOM 348 CA ASP A 24 -10.459 3.410 1.950 1.00 0.00 C ATOM 349 C ASP A 24 -10.864 3.170 0.494 1.00 0.00 C ATOM 350 O ASP A 24 -10.305 2.332 -0.186 1.00 0.00 O ATOM 351 CB ASP A 24 -9.196 4.272 1.993 1.00 0.00 C ATOM 352 CG ASP A 24 -9.007 4.833 3.403 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.838 5.622 3.821 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.035 4.464 4.041 1.00 0.00 O ATOM 0 H ASP A 24 -9.212 1.811 2.619 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.267 3.923 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.328 3.678 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.275 5.087 1.274 1.00 0.00 H new ATOM 359 N LEU A 25 -11.831 3.899 0.010 1.00 0.00 N ATOM 360 CA LEU A 25 -12.271 3.712 -1.401 1.00 0.00 C ATOM 361 C LEU A 25 -11.718 4.849 -2.263 1.00 0.00 C ATOM 362 O LEU A 25 -12.148 5.982 -2.164 1.00 0.00 O ATOM 363 CB LEU A 25 -13.799 3.722 -1.465 1.00 0.00 C ATOM 364 CG LEU A 25 -14.251 3.597 -2.921 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.493 2.708 -2.997 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.585 4.986 -3.470 1.00 0.00 C ATOM 0 H LEU A 25 -12.336 4.616 0.531 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.898 2.758 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.203 2.899 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.185 4.644 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.451 3.153 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.814 2.620 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.257 1.719 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.294 3.151 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.907 4.899 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.385 5.429 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.700 5.621 -3.417 1.00 0.00 H new ATOM 378 N ILE A 26 -10.767 4.558 -3.108 1.00 0.00 N ATOM 379 CA ILE A 26 -10.188 5.618 -3.974 1.00 0.00 C ATOM 380 C ILE A 26 -10.978 5.687 -5.283 1.00 0.00 C ATOM 381 O ILE A 26 -12.009 5.060 -5.430 1.00 0.00 O ATOM 382 CB ILE A 26 -8.728 5.274 -4.271 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.104 4.599 -3.047 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.951 6.550 -4.597 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.914 3.108 -3.327 1.00 0.00 C ATOM 0 H ILE A 26 -10.366 3.628 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.241 6.583 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.685 4.598 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.145 5.061 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.745 4.737 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.911 6.299 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.392 7.032 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.995 7.230 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.470 2.628 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.881 2.652 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.256 2.980 -4.186 1.00 0.00 H new ATOM 397 N GLU A 27 -10.507 6.443 -6.236 1.00 0.00 N ATOM 398 CA GLU A 27 -11.233 6.549 -7.532 1.00 0.00 C ATOM 399 C GLU A 27 -10.227 6.517 -8.685 1.00 0.00 C ATOM 400 O GLU A 27 -9.037 6.386 -8.479 1.00 0.00 O ATOM 401 CB GLU A 27 -12.014 7.864 -7.573 1.00 0.00 C ATOM 402 CG GLU A 27 -11.113 9.009 -7.105 1.00 0.00 C ATOM 403 CD GLU A 27 -11.616 10.328 -7.693 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.269 10.284 -8.724 1.00 0.00 O ATOM 405 OE2 GLU A 27 -11.339 11.360 -7.105 1.00 0.00 O ATOM 0 H GLU A 27 -9.650 6.992 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.925 5.712 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.369 8.057 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.895 7.796 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.110 9.062 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.085 8.828 -7.418 1.00 0.00 H new ATOM 412 N VAL A 28 -10.696 6.635 -9.897 1.00 0.00 N ATOM 413 CA VAL A 28 -9.766 6.612 -11.061 1.00 0.00 C ATOM 414 C VAL A 28 -9.157 8.002 -11.255 1.00 0.00 C ATOM 415 O VAL A 28 -9.516 8.726 -12.163 1.00 0.00 O ATOM 416 CB VAL A 28 -10.536 6.212 -12.321 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.639 7.235 -12.592 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.576 6.171 -13.512 1.00 0.00 C ATOM 0 H VAL A 28 -11.682 6.746 -10.131 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.971 5.890 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.981 5.228 -12.177 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.187 6.950 -13.490 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.323 7.266 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.194 8.220 -12.736 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.123 5.886 -14.411 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.131 7.156 -13.655 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.789 5.442 -13.320 1.00 0.00 H new ATOM 428 N GLU A 29 -8.235 8.379 -10.411 1.00 0.00 N ATOM 429 CA GLU A 29 -7.600 9.719 -10.545 1.00 0.00 C ATOM 430 C GLU A 29 -6.896 10.084 -9.237 1.00 0.00 C ATOM 431 O GLU A 29 -5.716 10.368 -9.215 1.00 0.00 O ATOM 432 CB GLU A 29 -8.671 10.766 -10.857 1.00 0.00 C ATOM 433 CG GLU A 29 -8.475 11.289 -12.281 1.00 0.00 C ATOM 434 CD GLU A 29 -9.039 12.707 -12.387 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.190 12.894 -12.025 1.00 0.00 O ATOM 436 OE2 GLU A 29 -8.313 13.582 -12.828 1.00 0.00 O ATOM 0 H GLU A 29 -7.894 7.814 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.871 9.694 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.664 10.328 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.609 11.589 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.416 11.288 -12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.976 10.633 -12.993 1.00 0.00 H new ATOM 443 N GLN A 30 -7.613 10.077 -8.145 1.00 0.00 N ATOM 444 CA GLN A 30 -6.983 10.424 -6.840 1.00 0.00 C ATOM 445 C GLN A 30 -5.632 9.716 -6.721 1.00 0.00 C ATOM 446 O GLN A 30 -5.478 8.579 -7.121 1.00 0.00 O ATOM 447 CB GLN A 30 -7.897 9.974 -5.698 1.00 0.00 C ATOM 448 CG GLN A 30 -8.133 11.145 -4.741 1.00 0.00 C ATOM 449 CD GLN A 30 -9.154 10.738 -3.678 1.00 0.00 C ATOM 450 OE1 GLN A 30 -10.178 11.374 -3.529 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.917 9.698 -2.927 1.00 0.00 N ATOM 0 H GLN A 30 -8.606 9.846 -8.101 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.834 11.502 -6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.847 9.619 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.444 9.139 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.195 11.436 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.494 12.013 -5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.057 9.164 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.592 9.419 -2.215 1.00 0.00 H new ATOM 460 N GLY A 31 -4.650 10.379 -6.173 1.00 0.00 N ATOM 461 CA GLY A 31 -3.310 9.744 -6.030 1.00 0.00 C ATOM 462 C GLY A 31 -3.374 8.651 -4.963 1.00 0.00 C ATOM 463 O GLY A 31 -4.400 8.423 -4.353 1.00 0.00 O ATOM 0 H GLY A 31 -4.718 11.333 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.994 9.319 -6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.568 10.494 -5.754 1.00 0.00 H new ATOM 467 N LEU A 32 -2.283 7.972 -4.730 1.00 0.00 N ATOM 468 CA LEU A 32 -2.281 6.894 -3.700 1.00 0.00 C ATOM 469 C LEU A 32 -0.955 6.920 -2.938 1.00 0.00 C ATOM 470 O LEU A 32 -0.919 6.778 -1.732 1.00 0.00 O ATOM 471 CB LEU A 32 -2.453 5.535 -4.383 1.00 0.00 C ATOM 472 CG LEU A 32 -3.324 4.631 -3.511 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.785 4.753 -3.946 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.866 3.180 -3.666 1.00 0.00 C ATOM 0 H LEU A 32 -1.394 8.117 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.103 7.055 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.912 5.664 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.480 5.072 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.230 4.934 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.405 4.108 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.112 5.787 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.880 4.451 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.486 2.534 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.960 2.878 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.825 3.092 -3.355 1.00 0.00 H new ATOM 486 N VAL A 33 0.136 7.100 -3.632 1.00 0.00 N ATOM 487 CA VAL A 33 1.457 7.134 -2.943 1.00 0.00 C ATOM 488 C VAL A 33 2.428 8.001 -3.748 1.00 0.00 C ATOM 489 O VAL A 33 2.278 8.176 -4.940 1.00 0.00 O ATOM 490 CB VAL A 33 2.013 5.713 -2.835 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.002 4.823 -2.109 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.267 5.157 -4.237 1.00 0.00 C ATOM 0 H VAL A 33 0.170 7.225 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 33 1.336 7.553 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 33 2.949 5.731 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.398 3.810 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.821 5.219 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.066 4.805 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.663 4.144 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.332 5.139 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.987 5.790 -4.755 1.00 0.00 H new ATOM 502 N VAL A 34 3.424 8.548 -3.103 1.00 0.00 N ATOM 503 CA VAL A 34 4.401 9.404 -3.831 1.00 0.00 C ATOM 504 C VAL A 34 5.778 8.736 -3.811 1.00 0.00 C ATOM 505 O VAL A 34 6.441 8.689 -2.795 1.00 0.00 O ATOM 506 CB VAL A 34 4.489 10.770 -3.149 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.478 11.658 -3.908 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.107 11.430 -3.154 1.00 0.00 C ATOM 0 H VAL A 34 3.602 8.438 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 34 4.073 9.533 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 34 4.830 10.642 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.540 12.631 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.462 11.189 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.137 11.787 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.167 12.404 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.768 11.558 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.400 10.799 -2.615 1.00 0.00 H new ATOM 518 N LEU A 35 6.213 8.218 -4.928 1.00 0.00 N ATOM 519 CA LEU A 35 7.546 7.554 -4.972 1.00 0.00 C ATOM 520 C LEU A 35 8.584 8.532 -5.525 1.00 0.00 C ATOM 521 O LEU A 35 8.281 9.670 -5.825 1.00 0.00 O ATOM 522 CB LEU A 35 7.472 6.323 -5.877 1.00 0.00 C ATOM 523 CG LEU A 35 6.822 5.167 -5.115 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.363 5.024 -5.552 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.573 3.869 -5.420 1.00 0.00 C ATOM 0 H LEU A 35 5.703 8.226 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 35 7.834 7.249 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.895 6.552 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.472 6.039 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 35 6.863 5.369 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.900 4.200 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.826 5.948 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.322 4.822 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.110 3.045 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.531 3.667 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.613 3.969 -5.110 1.00 0.00 H new ATOM 537 N GLU A 36 9.807 8.100 -5.662 1.00 0.00 N ATOM 538 CA GLU A 36 10.862 9.006 -6.196 1.00 0.00 C ATOM 539 C GLU A 36 11.880 8.189 -6.994 1.00 0.00 C ATOM 540 O GLU A 36 12.249 7.096 -6.614 1.00 0.00 O ATOM 541 CB GLU A 36 11.569 9.706 -5.034 1.00 0.00 C ATOM 542 CG GLU A 36 12.263 10.971 -5.544 1.00 0.00 C ATOM 543 CD GLU A 36 12.691 11.833 -4.356 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.253 11.285 -3.422 1.00 0.00 O ATOM 545 OE2 GLU A 36 12.451 13.029 -4.400 1.00 0.00 O ATOM 0 H GLU A 36 10.121 7.159 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 36 10.405 9.752 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.848 9.962 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.300 9.035 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.132 10.704 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.589 11.533 -6.190 1.00 0.00 H new ATOM 552 N SER A 37 12.338 8.711 -8.099 1.00 0.00 N ATOM 553 CA SER A 37 13.332 7.964 -8.921 1.00 0.00 C ATOM 554 C SER A 37 14.707 8.618 -8.776 1.00 0.00 C ATOM 555 O SER A 37 14.878 9.571 -8.042 1.00 0.00 O ATOM 556 CB SER A 37 12.905 7.994 -10.388 1.00 0.00 C ATOM 557 OG SER A 37 13.554 9.075 -11.044 1.00 0.00 O ATOM 0 H SER A 37 12.067 9.622 -8.468 1.00 0.00 H new ATOM 0 HA SER A 37 13.384 6.930 -8.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.162 7.052 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.823 8.106 -10.462 1.00 0.00 H new ATOM 0 HG SER A 37 13.693 8.849 -11.987 1.00 0.00 H new ATOM 563 N ALA A 38 15.690 8.114 -9.471 1.00 0.00 N ATOM 564 CA ALA A 38 17.054 8.708 -9.372 1.00 0.00 C ATOM 565 C ALA A 38 16.955 10.230 -9.481 1.00 0.00 C ATOM 566 O ALA A 38 17.249 10.949 -8.547 1.00 0.00 O ATOM 567 CB ALA A 38 17.927 8.170 -10.508 1.00 0.00 C ATOM 0 H ALA A 38 15.608 7.317 -10.103 1.00 0.00 H new ATOM 0 HA ALA A 38 17.499 8.441 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.925 8.603 -10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.997 7.085 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.483 8.438 -11.467 1.00 0.00 H new ATOM 573 N LYS A 39 16.544 10.728 -10.615 1.00 0.00 N ATOM 574 CA LYS A 39 16.428 12.204 -10.782 1.00 0.00 C ATOM 575 C LYS A 39 15.044 12.548 -11.339 1.00 0.00 C ATOM 576 O LYS A 39 14.918 13.187 -12.364 1.00 0.00 O ATOM 577 CB LYS A 39 17.504 12.694 -11.753 1.00 0.00 C ATOM 578 CG LYS A 39 18.776 13.040 -10.976 1.00 0.00 C ATOM 579 CD LYS A 39 19.655 11.794 -10.856 1.00 0.00 C ATOM 580 CE LYS A 39 20.640 11.750 -12.027 1.00 0.00 C ATOM 581 NZ LYS A 39 21.505 10.542 -11.902 1.00 0.00 N ATOM 0 H LYS A 39 16.284 10.177 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 39 16.562 12.690 -9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.717 11.924 -12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.147 13.570 -12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.321 13.835 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.519 13.414 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.198 11.808 -9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.035 10.897 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.097 11.726 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.254 12.651 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.175 10.511 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.032 10.584 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.912 9.688 -11.915 1.00 0.00 H new ATOM 595 N ALA A 40 14.005 12.127 -10.671 1.00 0.00 N ATOM 596 CA ALA A 40 12.632 12.428 -11.162 1.00 0.00 C ATOM 597 C ALA A 40 11.609 12.029 -10.096 1.00 0.00 C ATOM 598 O ALA A 40 11.938 11.861 -8.939 1.00 0.00 O ATOM 599 CB ALA A 40 12.365 11.641 -12.446 1.00 0.00 C ATOM 0 H ALA A 40 14.048 11.588 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 40 12.546 13.495 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.360 11.861 -12.805 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.093 11.926 -13.206 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.452 10.574 -12.243 1.00 0.00 H new ATOM 605 N SER A 41 10.371 11.874 -10.478 1.00 0.00 N ATOM 606 CA SER A 41 9.330 11.485 -9.485 1.00 0.00 C ATOM 607 C SER A 41 8.237 10.674 -10.184 1.00 0.00 C ATOM 608 O SER A 41 7.962 10.862 -11.353 1.00 0.00 O ATOM 609 CB SER A 41 8.715 12.743 -8.871 1.00 0.00 C ATOM 610 OG SER A 41 8.571 12.557 -7.468 1.00 0.00 O ATOM 0 H SER A 41 10.036 12.000 -11.433 1.00 0.00 H new ATOM 0 HA SER A 41 9.785 10.882 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.348 13.607 -9.072 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.745 12.946 -9.324 1.00 0.00 H new ATOM 0 HG SER A 41 8.178 13.362 -7.070 1.00 0.00 H new ATOM 616 N MET A 42 7.610 9.773 -9.479 1.00 0.00 N ATOM 617 CA MET A 42 6.536 8.950 -10.104 1.00 0.00 C ATOM 618 C MET A 42 5.457 8.647 -9.062 1.00 0.00 C ATOM 619 O MET A 42 5.635 7.817 -8.193 1.00 0.00 O ATOM 620 CB MET A 42 7.132 7.639 -10.619 1.00 0.00 C ATOM 621 CG MET A 42 8.081 7.931 -11.781 1.00 0.00 C ATOM 622 SD MET A 42 7.149 8.652 -13.155 1.00 0.00 S ATOM 623 CE MET A 42 6.777 7.103 -14.015 1.00 0.00 C ATOM 0 H MET A 42 7.795 9.571 -8.496 1.00 0.00 H new ATOM 0 HA MET A 42 6.094 9.498 -10.936 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.668 7.131 -9.817 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.336 6.969 -10.945 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.865 8.617 -11.460 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.572 7.013 -12.103 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.196 7.316 -14.912 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.708 6.609 -14.294 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.203 6.450 -13.357 1.00 0.00 H new ATOM 633 N GLU A 43 4.337 9.314 -9.142 1.00 0.00 N ATOM 634 CA GLU A 43 3.248 9.062 -8.157 1.00 0.00 C ATOM 635 C GLU A 43 2.449 7.828 -8.582 1.00 0.00 C ATOM 636 O GLU A 43 2.637 7.295 -9.658 1.00 0.00 O ATOM 637 CB GLU A 43 2.320 10.278 -8.103 1.00 0.00 C ATOM 638 CG GLU A 43 2.637 11.108 -6.857 1.00 0.00 C ATOM 639 CD GLU A 43 1.484 12.073 -6.578 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.217 12.906 -7.428 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.888 11.963 -5.520 1.00 0.00 O ATOM 0 H GLU A 43 4.130 10.022 -9.847 1.00 0.00 H new ATOM 0 HA GLU A 43 3.681 8.891 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.447 10.885 -8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.280 9.954 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.791 10.452 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.563 11.664 -7.004 1.00 0.00 H new ATOM 648 N VAL A 44 1.558 7.371 -7.747 1.00 0.00 N ATOM 649 CA VAL A 44 0.748 6.173 -8.103 1.00 0.00 C ATOM 650 C VAL A 44 -0.657 6.312 -7.504 1.00 0.00 C ATOM 651 O VAL A 44 -0.859 6.032 -6.339 1.00 0.00 O ATOM 652 CB VAL A 44 1.419 4.919 -7.537 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.459 3.733 -7.645 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.690 4.620 -8.334 1.00 0.00 C ATOM 0 H VAL A 44 1.356 7.776 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 44 0.676 6.091 -9.188 1.00 0.00 H new ATOM 0 HB VAL A 44 1.675 5.084 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.937 2.840 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.448 3.946 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.203 3.566 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.170 3.727 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.433 4.455 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.374 5.465 -8.258 1.00 0.00 H new ATOM 664 N PRO A 45 -1.586 6.743 -8.320 1.00 0.00 N ATOM 665 CA PRO A 45 -2.985 6.931 -7.898 1.00 0.00 C ATOM 666 C PRO A 45 -3.709 5.586 -7.827 1.00 0.00 C ATOM 667 O PRO A 45 -3.099 4.536 -7.884 1.00 0.00 O ATOM 668 CB PRO A 45 -3.578 7.811 -9.002 1.00 0.00 C ATOM 669 CG PRO A 45 -2.684 7.609 -10.247 1.00 0.00 C ATOM 670 CD PRO A 45 -1.331 7.079 -9.736 1.00 0.00 C ATOM 0 HA PRO A 45 -3.077 7.377 -6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.609 7.527 -9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.592 8.858 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.140 6.903 -10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.554 8.547 -10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.007 6.205 -10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.547 7.830 -9.832 1.00 0.00 H new ATOM 678 N SER A 46 -5.006 5.610 -7.701 1.00 0.00 N ATOM 679 CA SER A 46 -5.775 4.336 -7.623 1.00 0.00 C ATOM 680 C SER A 46 -6.073 3.831 -9.042 1.00 0.00 C ATOM 681 O SER A 46 -6.814 4.460 -9.771 1.00 0.00 O ATOM 682 CB SER A 46 -7.093 4.585 -6.889 1.00 0.00 C ATOM 683 OG SER A 46 -7.995 3.523 -7.169 1.00 0.00 O ATOM 0 H SER A 46 -5.569 6.459 -7.648 1.00 0.00 H new ATOM 0 HA SER A 46 -5.190 3.590 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.917 4.654 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.524 5.536 -7.204 1.00 0.00 H new ATOM 0 HG SER A 46 -8.038 2.919 -6.399 1.00 0.00 H new ATOM 689 N PRO A 47 -5.490 2.712 -9.394 1.00 0.00 N ATOM 690 CA PRO A 47 -5.683 2.106 -10.724 1.00 0.00 C ATOM 691 C PRO A 47 -7.032 1.384 -10.789 1.00 0.00 C ATOM 692 O PRO A 47 -7.370 0.768 -11.779 1.00 0.00 O ATOM 693 CB PRO A 47 -4.525 1.110 -10.837 1.00 0.00 C ATOM 694 CG PRO A 47 -4.082 0.789 -9.390 1.00 0.00 C ATOM 695 CD PRO A 47 -4.588 1.947 -8.508 1.00 0.00 C ATOM 0 HA PRO A 47 -5.689 2.837 -11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.840 0.205 -11.356 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.701 1.536 -11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.500 -0.162 -9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.997 0.700 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.114 1.577 -7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.764 2.564 -8.150 1.00 0.00 H new ATOM 703 N LYS A 48 -7.804 1.457 -9.739 1.00 0.00 N ATOM 704 CA LYS A 48 -9.130 0.776 -9.741 1.00 0.00 C ATOM 705 C LYS A 48 -10.022 1.396 -8.664 1.00 0.00 C ATOM 706 O LYS A 48 -9.746 1.301 -7.484 1.00 0.00 O ATOM 707 CB LYS A 48 -8.938 -0.714 -9.450 1.00 0.00 C ATOM 708 CG LYS A 48 -8.862 -1.487 -10.768 1.00 0.00 C ATOM 709 CD LYS A 48 -9.837 -2.665 -10.727 1.00 0.00 C ATOM 710 CE LYS A 48 -9.315 -3.792 -11.619 1.00 0.00 C ATOM 711 NZ LYS A 48 -10.080 -5.039 -11.343 1.00 0.00 N ATOM 0 H LYS A 48 -7.574 1.958 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.601 0.898 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.026 -0.868 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.765 -1.087 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.105 -0.829 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.847 -1.847 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.951 -3.021 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.823 -2.346 -11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.416 -3.516 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.253 -3.955 -11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.925 -5.719 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.757 -5.453 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.094 -4.817 -11.276 1.00 0.00 H new ATOM 725 N ALA A 49 -11.091 2.032 -9.059 1.00 0.00 N ATOM 726 CA ALA A 49 -11.999 2.657 -8.058 1.00 0.00 C ATOM 727 C ALA A 49 -12.580 1.573 -7.147 1.00 0.00 C ATOM 728 O ALA A 49 -13.600 0.982 -7.442 1.00 0.00 O ATOM 729 CB ALA A 49 -13.138 3.379 -8.781 1.00 0.00 C ATOM 0 H ALA A 49 -11.374 2.145 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.438 3.373 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.802 3.836 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.725 4.152 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.699 2.663 -9.382 1.00 0.00 H new ATOM 735 N GLY A 50 -11.939 1.305 -6.043 1.00 0.00 N ATOM 736 CA GLY A 50 -12.456 0.259 -5.115 1.00 0.00 C ATOM 737 C GLY A 50 -11.950 0.536 -3.699 1.00 0.00 C ATOM 738 O GLY A 50 -11.362 1.564 -3.429 1.00 0.00 O ATOM 0 H GLY A 50 -11.079 1.765 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.546 0.253 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.128 -0.727 -5.443 1.00 0.00 H new ATOM 742 N VAL A 51 -12.174 -0.373 -2.790 1.00 0.00 N ATOM 743 CA VAL A 51 -11.706 -0.161 -1.392 1.00 0.00 C ATOM 744 C VAL A 51 -10.416 -0.949 -1.160 1.00 0.00 C ATOM 745 O VAL A 51 -10.148 -1.929 -1.827 1.00 0.00 O ATOM 746 CB VAL A 51 -12.780 -0.642 -0.415 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.921 -2.162 -0.518 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.377 -0.264 1.012 1.00 0.00 C ATOM 0 H VAL A 51 -12.661 -1.254 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.517 0.900 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.732 -0.171 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.686 -2.504 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.208 -2.433 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.969 -2.633 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.142 -0.606 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.425 -0.735 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.276 0.819 1.087 1.00 0.00 H new ATOM 758 N VAL A 52 -9.613 -0.530 -0.220 1.00 0.00 N ATOM 759 CA VAL A 52 -8.342 -1.257 0.053 1.00 0.00 C ATOM 760 C VAL A 52 -8.628 -2.474 0.935 1.00 0.00 C ATOM 761 O VAL A 52 -9.406 -2.407 1.868 1.00 0.00 O ATOM 762 CB VAL A 52 -7.366 -0.324 0.773 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.057 -1.067 1.047 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.085 0.895 -0.108 1.00 0.00 C ATOM 0 H VAL A 52 -9.783 0.284 0.370 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.903 -1.587 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.803 0.001 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.362 -0.402 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.256 -1.937 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.619 -1.392 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.390 1.561 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.648 0.569 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.017 1.425 -0.304 1.00 0.00 H new ATOM 774 N LYS A 53 -8.008 -3.585 0.650 1.00 0.00 N ATOM 775 CA LYS A 53 -8.245 -4.804 1.474 1.00 0.00 C ATOM 776 C LYS A 53 -7.049 -5.036 2.398 1.00 0.00 C ATOM 777 O LYS A 53 -7.153 -4.928 3.603 1.00 0.00 O ATOM 778 CB LYS A 53 -8.422 -6.014 0.554 1.00 0.00 C ATOM 779 CG LYS A 53 -8.614 -7.275 1.400 1.00 0.00 C ATOM 780 CD LYS A 53 -10.001 -7.248 2.046 1.00 0.00 C ATOM 781 CE LYS A 53 -10.143 -8.438 2.997 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.445 -8.346 3.717 1.00 0.00 N ATOM 0 H LYS A 53 -7.347 -3.702 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.145 -4.668 2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.283 -5.866 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.550 -6.125 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.508 -8.163 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.844 -7.331 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.142 -6.314 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.773 -7.289 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.090 -9.372 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.320 -8.446 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.542 -9.155 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.478 -7.461 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.224 -8.358 3.028 1.00 0.00 H new ATOM 796 N SER A 54 -5.911 -5.355 1.844 1.00 0.00 N ATOM 797 CA SER A 54 -4.710 -5.595 2.691 1.00 0.00 C ATOM 798 C SER A 54 -3.488 -4.943 2.040 1.00 0.00 C ATOM 799 O SER A 54 -3.395 -4.846 0.832 1.00 0.00 O ATOM 800 CB SER A 54 -4.473 -7.098 2.829 1.00 0.00 C ATOM 801 OG SER A 54 -4.426 -7.686 1.534 1.00 0.00 O ATOM 0 H SER A 54 -5.762 -5.460 0.840 1.00 0.00 H new ATOM 0 HA SER A 54 -4.871 -5.162 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.539 -7.284 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.270 -7.551 3.418 1.00 0.00 H new ATOM 0 HG SER A 54 -4.272 -8.650 1.618 1.00 0.00 H new ATOM 807 N VAL A 55 -2.551 -4.496 2.830 1.00 0.00 N ATOM 808 CA VAL A 55 -1.336 -3.852 2.255 1.00 0.00 C ATOM 809 C VAL A 55 -0.174 -4.845 2.276 1.00 0.00 C ATOM 810 O VAL A 55 0.073 -5.507 3.265 1.00 0.00 O ATOM 811 CB VAL A 55 -0.970 -2.621 3.086 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.086 -1.800 2.344 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.219 -1.764 3.304 1.00 0.00 C ATOM 0 H VAL A 55 -2.574 -4.549 3.848 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.537 -3.550 1.227 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.573 -2.939 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.347 -0.923 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.976 -2.409 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.311 -1.482 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.959 -0.886 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.615 -1.447 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.973 -2.348 3.832 1.00 0.00 H new ATOM 823 N SER A 56 0.544 -4.958 1.191 1.00 0.00 N ATOM 824 CA SER A 56 1.690 -5.908 1.150 1.00 0.00 C ATOM 825 C SER A 56 3.000 -5.126 1.043 1.00 0.00 C ATOM 826 O SER A 56 4.040 -5.675 0.743 1.00 0.00 O ATOM 827 CB SER A 56 1.546 -6.829 -0.062 1.00 0.00 C ATOM 828 OG SER A 56 0.167 -6.977 -0.378 1.00 0.00 O ATOM 0 H SER A 56 0.385 -4.433 0.331 1.00 0.00 H new ATOM 0 HA SER A 56 1.698 -6.505 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.084 -6.414 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.989 -7.802 0.151 1.00 0.00 H new ATOM 0 HG SER A 56 0.071 -7.566 -1.156 1.00 0.00 H new ATOM 834 N VAL A 57 2.957 -3.844 1.285 1.00 0.00 N ATOM 835 CA VAL A 57 4.200 -3.027 1.197 1.00 0.00 C ATOM 836 C VAL A 57 4.253 -2.051 2.373 1.00 0.00 C ATOM 837 O VAL A 57 3.248 -1.736 2.977 1.00 0.00 O ATOM 838 CB VAL A 57 4.202 -2.243 -0.117 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.672 -3.152 -1.255 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.786 -1.745 -0.415 1.00 0.00 C ATOM 0 H VAL A 57 2.115 -3.328 1.540 1.00 0.00 H new ATOM 0 HA VAL A 57 5.070 -3.683 1.230 1.00 0.00 H new ATOM 0 HB VAL A 57 4.877 -1.392 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.673 -2.593 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.680 -3.508 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.998 -4.004 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.786 -1.186 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.111 -2.597 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.450 -1.097 0.394 1.00 0.00 H new ATOM 850 N LYS A 58 5.420 -1.569 2.703 1.00 0.00 N ATOM 851 CA LYS A 58 5.537 -0.613 3.841 1.00 0.00 C ATOM 852 C LYS A 58 5.929 0.767 3.310 1.00 0.00 C ATOM 853 O LYS A 58 6.462 0.897 2.226 1.00 0.00 O ATOM 854 CB LYS A 58 6.608 -1.108 4.816 1.00 0.00 C ATOM 855 CG LYS A 58 6.018 -1.189 6.225 1.00 0.00 C ATOM 856 CD LYS A 58 7.146 -1.120 7.256 1.00 0.00 C ATOM 857 CE LYS A 58 7.117 0.241 7.955 1.00 0.00 C ATOM 858 NZ LYS A 58 8.508 0.755 8.100 1.00 0.00 N ATOM 0 H LYS A 58 6.297 -1.796 2.234 1.00 0.00 H new ATOM 0 HA LYS A 58 4.580 -0.545 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.972 -2.087 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.463 -0.432 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.315 -0.371 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.459 -2.117 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.033 -1.919 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.109 -1.269 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.516 0.945 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.648 0.149 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.489 1.680 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.068 0.086 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.940 0.858 7.160 1.00 0.00 H new ATOM 872 N LEU A 59 5.669 1.800 4.064 1.00 0.00 N ATOM 873 CA LEU A 59 6.028 3.169 3.601 1.00 0.00 C ATOM 874 C LEU A 59 7.502 3.441 3.904 1.00 0.00 C ATOM 875 O LEU A 59 8.000 3.111 4.963 1.00 0.00 O ATOM 876 CB LEU A 59 5.160 4.198 4.330 1.00 0.00 C ATOM 877 CG LEU A 59 5.433 4.123 5.833 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.277 5.325 6.260 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.104 4.138 6.592 1.00 0.00 C ATOM 0 H LEU A 59 5.224 1.754 4.980 1.00 0.00 H new ATOM 0 HA LEU A 59 5.858 3.245 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.377 5.200 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.106 4.006 4.131 1.00 0.00 H new ATOM 0 HG LEU A 59 5.972 3.203 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.471 5.271 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.223 5.316 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.739 6.246 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.296 4.085 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.566 5.058 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.502 3.282 6.288 1.00 0.00 H new ATOM 891 N GLY A 60 8.207 4.041 2.984 1.00 0.00 N ATOM 892 CA GLY A 60 9.649 4.334 3.221 1.00 0.00 C ATOM 893 C GLY A 60 10.502 3.199 2.649 1.00 0.00 C ATOM 894 O GLY A 60 11.699 3.331 2.487 1.00 0.00 O ATOM 0 H GLY A 60 7.847 4.341 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.921 5.279 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.838 4.443 4.289 1.00 0.00 H new ATOM 898 N ASP A 61 9.896 2.086 2.341 1.00 0.00 N ATOM 899 CA ASP A 61 10.673 0.945 1.780 1.00 0.00 C ATOM 900 C ASP A 61 10.839 1.135 0.271 1.00 0.00 C ATOM 901 O ASP A 61 10.203 1.974 -0.332 1.00 0.00 O ATOM 902 CB ASP A 61 9.926 -0.363 2.051 1.00 0.00 C ATOM 903 CG ASP A 61 10.345 -0.918 3.413 1.00 0.00 C ATOM 904 OD1 ASP A 61 11.534 -1.110 3.613 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.470 -1.142 4.234 1.00 0.00 O ATOM 0 H ASP A 61 8.896 1.917 2.453 1.00 0.00 H new ATOM 0 HA ASP A 61 11.655 0.907 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.850 -0.190 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.146 -1.088 1.268 1.00 0.00 H new ATOM 910 N LYS A 62 11.692 0.359 -0.342 1.00 0.00 N ATOM 911 CA LYS A 62 11.898 0.496 -1.812 1.00 0.00 C ATOM 912 C LYS A 62 11.055 -0.550 -2.544 1.00 0.00 C ATOM 913 O LYS A 62 10.931 -1.678 -2.109 1.00 0.00 O ATOM 914 CB LYS A 62 13.377 0.280 -2.142 1.00 0.00 C ATOM 915 CG LYS A 62 14.227 1.267 -1.340 1.00 0.00 C ATOM 916 CD LYS A 62 15.668 1.234 -1.853 1.00 0.00 C ATOM 917 CE LYS A 62 16.433 0.107 -1.156 1.00 0.00 C ATOM 918 NZ LYS A 62 17.654 0.664 -0.506 1.00 0.00 N ATOM 0 H LYS A 62 12.254 -0.362 0.111 1.00 0.00 H new ATOM 0 HA LYS A 62 11.596 1.494 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.668 -0.743 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.547 0.421 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.820 2.274 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.201 1.009 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.677 1.081 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.155 2.190 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.798 -0.372 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.710 -0.660 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.175 -0.101 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.262 1.102 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.378 1.381 0.195 1.00 0.00 H new ATOM 932 N LEU A 63 10.471 -0.185 -3.653 1.00 0.00 N ATOM 933 CA LEU A 63 9.637 -1.159 -4.411 1.00 0.00 C ATOM 934 C LEU A 63 10.159 -1.271 -5.845 1.00 0.00 C ATOM 935 O LEU A 63 10.132 -0.322 -6.601 1.00 0.00 O ATOM 936 CB LEU A 63 8.184 -0.677 -4.433 1.00 0.00 C ATOM 937 CG LEU A 63 7.834 -0.048 -3.084 1.00 0.00 C ATOM 938 CD1 LEU A 63 6.345 0.300 -3.052 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.149 -1.042 -1.964 1.00 0.00 C ATOM 0 H LEU A 63 10.536 0.745 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 63 9.689 -2.135 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.043 0.050 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.516 -1.513 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 63 8.421 0.860 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.097 0.748 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.119 1.007 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.756 -0.607 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.900 -0.596 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.561 -1.949 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.210 -1.290 -1.986 1.00 0.00 H new ATOM 951 N LYS A 64 10.636 -2.426 -6.223 1.00 0.00 N ATOM 952 CA LYS A 64 11.160 -2.598 -7.608 1.00 0.00 C ATOM 953 C LYS A 64 10.029 -3.064 -8.527 1.00 0.00 C ATOM 954 O LYS A 64 9.211 -3.882 -8.154 1.00 0.00 O ATOM 955 CB LYS A 64 12.277 -3.644 -7.603 1.00 0.00 C ATOM 956 CG LYS A 64 13.558 -3.024 -8.166 1.00 0.00 C ATOM 957 CD LYS A 64 14.569 -4.131 -8.471 1.00 0.00 C ATOM 958 CE LYS A 64 15.988 -3.566 -8.381 1.00 0.00 C ATOM 959 NZ LYS A 64 16.969 -4.687 -8.363 1.00 0.00 N ATOM 0 H LYS A 64 10.685 -3.257 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 64 11.553 -1.648 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.449 -4.003 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.984 -4.507 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.334 -2.461 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.979 -2.319 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.448 -4.953 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.390 -4.537 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.184 -2.910 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.094 -2.962 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.934 -4.303 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.786 -5.296 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.873 -5.246 -9.235 1.00 0.00 H new ATOM 973 N GLU A 65 9.974 -2.547 -9.724 1.00 0.00 N ATOM 974 CA GLU A 65 8.898 -2.955 -10.667 1.00 0.00 C ATOM 975 C GLU A 65 8.701 -4.471 -10.598 1.00 0.00 C ATOM 976 O GLU A 65 9.627 -5.216 -10.340 1.00 0.00 O ATOM 977 CB GLU A 65 9.290 -2.556 -12.092 1.00 0.00 C ATOM 978 CG GLU A 65 10.467 -3.417 -12.557 1.00 0.00 C ATOM 979 CD GLU A 65 10.676 -3.227 -14.061 1.00 0.00 C ATOM 980 OE1 GLU A 65 9.799 -2.661 -14.693 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.708 -3.651 -14.554 1.00 0.00 O ATOM 0 H GLU A 65 10.631 -1.857 -10.089 1.00 0.00 H new ATOM 0 HA GLU A 65 7.968 -2.457 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.442 -2.687 -12.764 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.562 -1.501 -12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.371 -3.139 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.273 -4.467 -12.336 1.00 0.00 H new ATOM 988 N GLY A 66 7.503 -4.935 -10.827 1.00 0.00 N ATOM 989 CA GLY A 66 7.250 -6.403 -10.774 1.00 0.00 C ATOM 990 C GLY A 66 6.886 -6.808 -9.345 1.00 0.00 C ATOM 991 O GLY A 66 6.383 -7.887 -9.105 1.00 0.00 O ATOM 0 H GLY A 66 6.689 -4.362 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.441 -6.668 -11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.135 -6.947 -11.103 1.00 0.00 H new ATOM 995 N ASP A 67 7.137 -5.951 -8.394 1.00 0.00 N ATOM 996 CA ASP A 67 6.805 -6.288 -6.980 1.00 0.00 C ATOM 997 C ASP A 67 5.341 -5.943 -6.704 1.00 0.00 C ATOM 998 O ASP A 67 4.835 -4.934 -7.153 1.00 0.00 O ATOM 999 CB ASP A 67 7.705 -5.484 -6.039 1.00 0.00 C ATOM 1000 CG ASP A 67 9.137 -6.016 -6.122 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.329 -7.049 -6.741 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.017 -5.382 -5.563 1.00 0.00 O ATOM 0 H ASP A 67 7.557 -5.032 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 67 6.965 -7.353 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.682 -4.429 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.337 -5.558 -5.016 1.00 0.00 H new ATOM 1007 N ALA A 68 4.654 -6.775 -5.969 1.00 0.00 N ATOM 1008 CA ALA A 68 3.224 -6.494 -5.664 1.00 0.00 C ATOM 1009 C ALA A 68 3.118 -5.193 -4.865 1.00 0.00 C ATOM 1010 O ALA A 68 4.107 -4.548 -4.578 1.00 0.00 O ATOM 1011 CB ALA A 68 2.641 -7.646 -4.842 1.00 0.00 C ATOM 0 H ALA A 68 5.022 -7.637 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 68 2.667 -6.394 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.594 -7.440 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.715 -8.573 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.198 -7.746 -3.910 1.00 0.00 H new ATOM 1017 N ILE A 69 1.927 -4.803 -4.503 1.00 0.00 N ATOM 1018 CA ILE A 69 1.760 -3.544 -3.723 1.00 0.00 C ATOM 1019 C ILE A 69 0.562 -3.683 -2.782 1.00 0.00 C ATOM 1020 O ILE A 69 0.714 -3.802 -1.582 1.00 0.00 O ATOM 1021 CB ILE A 69 1.521 -2.377 -4.683 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.798 -2.107 -5.482 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.145 -1.128 -3.886 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.905 -1.639 -4.535 1.00 0.00 C ATOM 0 H ILE A 69 1.062 -5.301 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 69 2.661 -3.356 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 69 0.710 -2.628 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.110 -3.011 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.610 -1.348 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.975 -0.297 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.236 -1.320 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.955 -0.875 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.814 -1.447 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.591 -0.724 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.099 -2.412 -3.792 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.629 -3.668 -3.315 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.835 -3.801 -2.449 1.00 0.00 C ATOM 1038 C ILE A 70 -2.887 -4.647 -3.166 1.00 0.00 C ATOM 1039 O ILE A 70 -2.635 -5.213 -4.211 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.408 -2.412 -2.159 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.649 -1.676 -3.477 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.416 -1.617 -1.306 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.885 -0.784 -3.347 1.00 0.00 C ATOM 0 H ILE A 70 -0.819 -3.569 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.559 -4.284 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.350 -2.513 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.778 -1.073 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.789 -2.393 -4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.825 -0.628 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.243 -2.141 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.473 -1.515 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.056 -0.260 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.754 -1.398 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.727 -0.057 -2.550 1.00 0.00 H new ATOM 1055 N GLU A 71 -4.065 -4.740 -2.613 1.00 0.00 N ATOM 1056 CA GLU A 71 -5.132 -5.551 -3.264 1.00 0.00 C ATOM 1057 C GLU A 71 -6.475 -4.829 -3.133 1.00 0.00 C ATOM 1058 O GLU A 71 -7.014 -4.694 -2.053 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.220 -6.918 -2.583 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.817 -7.385 -2.191 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.839 -8.888 -1.906 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.852 -9.508 -2.184 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.843 -9.393 -1.416 1.00 0.00 O ATOM 0 H GLU A 71 -4.335 -4.289 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.893 -5.685 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.854 -6.855 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.681 -7.642 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.112 -7.167 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.475 -6.842 -1.310 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.018 -4.365 -4.225 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.325 -3.651 -4.161 1.00 0.00 C ATOM 1072 C LEU A 72 -9.463 -4.659 -4.328 1.00 0.00 C ATOM 1073 O LEU A 72 -9.369 -5.594 -5.099 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.394 -2.613 -5.284 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.822 -2.077 -5.396 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.783 -0.582 -5.717 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.557 -2.820 -6.514 1.00 0.00 C ATOM 0 H LEU A 72 -6.614 -4.449 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.420 -3.151 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.702 -1.795 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.088 -3.063 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.344 -2.231 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.801 -0.200 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.258 -0.053 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.262 -0.426 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.575 -2.440 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.035 -2.665 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.585 -3.885 -6.286 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.539 -4.479 -3.611 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.682 -5.427 -3.730 1.00 0.00 C ATOM 1091 C GLU A 73 -12.883 -4.706 -4.349 1.00 0.00 C ATOM 1092 O GLU A 73 -13.678 -4.115 -3.646 1.00 0.00 O ATOM 1093 CB GLU A 73 -12.059 -5.947 -2.341 1.00 0.00 C ATOM 1094 CG GLU A 73 -13.216 -6.942 -2.464 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.796 -8.288 -1.873 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.061 -8.283 -0.899 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.218 -9.303 -2.403 1.00 0.00 O ATOM 0 H GLU A 73 -10.675 -3.716 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.395 -6.264 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.199 -6.429 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.347 -5.117 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.094 -6.562 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.495 -7.064 -3.511 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.976 -4.779 -5.652 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.069 -4.141 -6.407 1.00 0.00 C ATOM 1106 C PRO A 74 -15.347 -4.981 -6.307 1.00 0.00 C ATOM 1107 O PRO A 74 -15.406 -6.097 -6.783 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.544 -4.115 -7.844 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.463 -5.219 -7.935 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.000 -5.502 -6.493 1.00 0.00 C ATOM 0 HA PRO A 74 -14.327 -3.149 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.349 -4.300 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.124 -3.139 -8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.867 -6.120 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.627 -4.892 -8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.002 -6.570 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.985 -5.144 -6.323 1.00 0.00 H new ATOM 1118 N ALA A 75 -16.369 -4.451 -5.692 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.640 -5.218 -5.563 1.00 0.00 C ATOM 1120 C ALA A 75 -18.399 -5.174 -6.891 1.00 0.00 C ATOM 1121 O ALA A 75 -18.346 -6.099 -7.679 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.501 -4.597 -4.462 1.00 0.00 C ATOM 0 H ALA A 75 -16.379 -3.521 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.415 -6.253 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.431 -5.158 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.960 -4.628 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.726 -3.561 -4.717 1.00 0.00 H new ATOM 1128 N ALA A 76 -19.105 -4.107 -7.146 1.00 0.00 N ATOM 1129 CA ALA A 76 -19.867 -4.006 -8.423 1.00 0.00 C ATOM 1130 C ALA A 76 -18.891 -3.807 -9.585 1.00 0.00 C ATOM 1131 O ALA A 76 -18.165 -2.834 -9.638 1.00 0.00 O ATOM 1132 CB ALA A 76 -20.825 -2.814 -8.352 1.00 0.00 C ATOM 0 H ALA A 76 -19.187 -3.301 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.437 -4.922 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.383 -2.739 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.520 -2.955 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.255 -1.898 -8.196 1.00 0.00 H new ATOM 1138 N GLY A 77 -18.869 -4.722 -10.515 1.00 0.00 N ATOM 1139 CA GLY A 77 -17.939 -4.584 -11.672 1.00 0.00 C ATOM 1140 C GLY A 77 -18.508 -5.335 -12.877 1.00 0.00 C ATOM 1141 O GLY A 77 -19.681 -5.243 -13.181 1.00 0.00 O ATOM 0 H GLY A 77 -19.454 -5.558 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.802 -3.531 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.958 -4.981 -11.413 1.00 0.00 H new ATOM 1145 N ALA A 78 -17.686 -6.078 -13.567 1.00 0.00 N ATOM 1146 CA ALA A 78 -18.181 -6.835 -14.751 1.00 0.00 C ATOM 1147 C ALA A 78 -18.290 -8.320 -14.400 1.00 0.00 C ATOM 1148 O ALA A 78 -17.502 -9.131 -14.843 1.00 0.00 O ATOM 1149 CB ALA A 78 -17.204 -6.656 -15.915 1.00 0.00 C ATOM 0 H ALA A 78 -16.694 -6.193 -13.362 1.00 0.00 H new ATOM 0 HA ALA A 78 -19.162 -6.458 -15.038 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -17.565 -7.210 -16.782 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -17.127 -5.598 -16.166 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.222 -7.033 -15.627 1.00 0.00 H new ATOM 1155 N ARG A 79 -19.259 -8.682 -13.606 1.00 0.00 N ATOM 1156 CA ARG A 79 -19.417 -10.115 -13.227 1.00 0.00 C ATOM 1157 C ARG A 79 -20.197 -10.848 -14.320 1.00 0.00 C ATOM 1158 O ARG A 79 -20.597 -11.975 -14.080 1.00 0.00 O ATOM 1159 CB ARG A 79 -20.180 -10.211 -11.904 1.00 0.00 C ATOM 1160 CG ARG A 79 -19.302 -9.681 -10.768 1.00 0.00 C ATOM 1161 CD ARG A 79 -19.930 -8.414 -10.186 1.00 0.00 C ATOM 1162 NE ARG A 79 -21.300 -8.721 -9.690 1.00 0.00 N ATOM 1163 CZ ARG A 79 -21.469 -9.178 -8.478 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -21.264 -10.442 -8.223 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -21.841 -8.370 -7.523 1.00 0.00 N ATOM 0 H ARG A 79 -19.949 -8.048 -13.203 1.00 0.00 H new ATOM 0 HA ARG A 79 -18.434 -10.572 -13.114 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -21.104 -9.636 -11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -20.461 -11.246 -11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -19.198 -10.438 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -18.300 -9.466 -11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.314 -8.031 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -19.973 -7.634 -10.947 1.00 0.00 H new ATOM 0 HE ARG A 79 -22.107 -8.574 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.972 -11.072 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.396 -10.799 -7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -22.000 -7.383 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.973 -8.726 -6.576 1.00 0.00 H new TER 1179 ARG A 79