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+ 138:sc= -0.322 (180deg=-0.925) USER MOD Single : A 1 SER OG : rot 180:sc= 0 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= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 37 SER OG : rot 65:sc= 0.576 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -99:sc= 0.0106 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 136:sc= -0.406! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -11.805 -6.014 -7.756 1.00 0.00 N ATOM 2 CA SER A 1 -10.571 -6.053 -6.921 1.00 0.00 C ATOM 3 C SER A 1 -9.378 -6.452 -7.791 1.00 0.00 C ATOM 4 O SER A 1 -9.471 -7.332 -8.624 1.00 0.00 O ATOM 5 CB SER A 1 -10.748 -7.076 -5.799 1.00 0.00 C ATOM 6 OG SER A 1 -10.643 -8.387 -6.338 1.00 0.00 O ATOM 0 H1 SER A 1 -12.594 -6.442 -7.230 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.037 -5.027 -7.986 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.646 -6.546 -8.635 1.00 0.00 H new ATOM 0 HA SER A 1 -10.393 -5.068 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.990 -6.925 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.718 -6.944 -5.320 1.00 0.00 H new ATOM 0 HG SER A 1 -10.754 -9.045 -5.621 1.00 0.00 H new ATOM 14 N GLU A 2 -8.256 -5.811 -7.606 1.00 0.00 N ATOM 15 CA GLU A 2 -7.058 -6.154 -8.423 1.00 0.00 C ATOM 16 C GLU A 2 -5.791 -5.789 -7.648 1.00 0.00 C ATOM 17 O GLU A 2 -5.774 -4.854 -6.873 1.00 0.00 O ATOM 18 CB GLU A 2 -7.097 -5.372 -9.738 1.00 0.00 C ATOM 19 CG GLU A 2 -7.722 -6.241 -10.831 1.00 0.00 C ATOM 20 CD GLU A 2 -6.614 -6.905 -11.651 1.00 0.00 C ATOM 21 OE1 GLU A 2 -5.496 -6.957 -11.167 1.00 0.00 O ATOM 22 OE2 GLU A 2 -6.904 -7.350 -12.749 1.00 0.00 O ATOM 0 H GLU A 2 -8.118 -5.065 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.057 -7.223 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.675 -4.456 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.089 -5.075 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.363 -7.001 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.353 -5.632 -11.478 1.00 0.00 H new ATOM 29 N ILE A 3 -4.728 -6.519 -7.853 1.00 0.00 N ATOM 30 CA ILE A 3 -3.462 -6.212 -7.128 1.00 0.00 C ATOM 31 C ILE A 3 -2.749 -5.048 -7.820 1.00 0.00 C ATOM 32 O ILE A 3 -2.760 -4.931 -9.028 1.00 0.00 O ATOM 33 CB ILE A 3 -2.556 -7.444 -7.140 1.00 0.00 C ATOM 34 CG1 ILE A 3 -3.273 -8.610 -6.456 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.260 -7.132 -6.389 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.472 -9.747 -7.460 1.00 0.00 C ATOM 0 H ILE A 3 -4.682 -7.314 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.690 -5.939 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.323 -7.714 -8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.689 -8.960 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.237 -8.281 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.614 -8.010 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.749 -6.301 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.492 -6.862 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.983 -10.578 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.073 -9.392 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.502 -10.083 -7.827 1.00 0.00 H new ATOM 48 N ILE A 4 -2.128 -4.186 -7.061 1.00 0.00 N ATOM 49 CA ILE A 4 -1.415 -3.032 -7.676 1.00 0.00 C ATOM 50 C ILE A 4 0.087 -3.164 -7.415 1.00 0.00 C ATOM 51 O ILE A 4 0.577 -2.809 -6.363 1.00 0.00 O ATOM 52 CB ILE A 4 -1.926 -1.729 -7.059 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.354 -1.464 -7.542 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.022 -0.571 -7.487 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.329 -1.646 -6.377 1.00 0.00 C ATOM 0 H ILE A 4 -2.084 -4.232 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.599 -3.022 -8.750 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.917 -1.814 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.432 -0.453 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.608 -2.147 -8.353 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.387 0.357 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.004 -0.759 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.030 -0.485 -8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.346 -1.457 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.257 -2.666 -5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.079 -0.945 -5.581 1.00 0.00 H new ATOM 67 N ARG A 5 0.820 -3.673 -8.367 1.00 0.00 N ATOM 68 CA ARG A 5 2.290 -3.828 -8.172 1.00 0.00 C ATOM 69 C ARG A 5 3.004 -2.562 -8.650 1.00 0.00 C ATOM 70 O ARG A 5 2.390 -1.645 -9.158 1.00 0.00 O ATOM 71 CB ARG A 5 2.787 -5.029 -8.979 1.00 0.00 C ATOM 72 CG ARG A 5 2.615 -4.748 -10.473 1.00 0.00 C ATOM 73 CD ARG A 5 2.446 -6.070 -11.225 1.00 0.00 C ATOM 74 NE ARG A 5 1.135 -6.075 -11.933 1.00 0.00 N ATOM 75 CZ ARG A 5 1.092 -6.236 -13.227 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.110 -7.438 -13.735 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.032 -5.196 -14.013 1.00 0.00 N ATOM 0 H ARG A 5 0.466 -3.988 -9.270 1.00 0.00 H new ATOM 0 HA ARG A 5 2.502 -3.987 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.836 -5.223 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.230 -5.923 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.746 -4.111 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.482 -4.209 -10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.258 -6.200 -11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.498 -6.906 -10.528 1.00 0.00 H new ATOM 0 HE ARG A 5 0.271 -5.952 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.158 -8.251 -13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.076 -7.565 -14.747 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.019 -4.257 -13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.998 -5.323 -15.025 1.00 0.00 H new ATOM 91 N VAL A 6 4.298 -2.504 -8.488 1.00 0.00 N ATOM 92 CA VAL A 6 5.052 -1.298 -8.931 1.00 0.00 C ATOM 93 C VAL A 6 4.975 -1.182 -10.459 1.00 0.00 C ATOM 94 O VAL A 6 5.016 -2.176 -11.155 1.00 0.00 O ATOM 95 CB VAL A 6 6.514 -1.430 -8.501 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.333 -0.287 -9.102 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.601 -1.370 -6.975 1.00 0.00 C ATOM 0 H VAL A 6 4.865 -3.240 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 6 4.618 -0.407 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 6 6.910 -2.382 -8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.374 -0.384 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.271 -0.328 -10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.938 0.667 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.642 -1.464 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.203 -0.417 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.020 -2.186 -6.545 1.00 0.00 H new ATOM 107 N PRO A 7 4.867 0.034 -10.935 1.00 0.00 N ATOM 108 CA PRO A 7 4.782 0.315 -12.379 1.00 0.00 C ATOM 109 C PRO A 7 6.169 0.230 -13.021 1.00 0.00 C ATOM 110 O PRO A 7 7.151 -0.058 -12.366 1.00 0.00 O ATOM 111 CB PRO A 7 4.240 1.746 -12.435 1.00 0.00 C ATOM 112 CG PRO A 7 4.579 2.395 -11.072 1.00 0.00 C ATOM 113 CD PRO A 7 4.816 1.239 -10.081 1.00 0.00 C ATOM 0 HA PRO A 7 4.154 -0.394 -12.919 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.696 2.302 -13.254 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.164 1.747 -12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.465 3.024 -11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.764 3.034 -10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.745 1.374 -9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.013 1.173 -9.347 1.00 0.00 H new ATOM 121 N ASP A 8 6.258 0.482 -14.299 1.00 0.00 N ATOM 122 CA ASP A 8 7.582 0.416 -14.980 1.00 0.00 C ATOM 123 C ASP A 8 8.306 1.754 -14.815 1.00 0.00 C ATOM 124 O ASP A 8 8.079 2.689 -15.557 1.00 0.00 O ATOM 125 CB ASP A 8 7.376 0.127 -16.469 1.00 0.00 C ATOM 126 CG ASP A 8 8.735 -0.060 -17.146 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.738 0.109 -16.471 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.749 -0.366 -18.326 1.00 0.00 O ATOM 0 H ASP A 8 5.472 0.730 -14.900 1.00 0.00 H new ATOM 0 HA ASP A 8 8.181 -0.379 -14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.769 -0.769 -16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.834 0.948 -16.938 1.00 0.00 H new ATOM 133 N ILE A 9 9.176 1.852 -13.847 1.00 0.00 N ATOM 134 CA ILE A 9 9.914 3.132 -13.635 1.00 0.00 C ATOM 135 C ILE A 9 11.328 3.000 -14.202 1.00 0.00 C ATOM 136 O ILE A 9 12.008 3.979 -14.436 1.00 0.00 O ATOM 137 CB ILE A 9 9.997 3.463 -12.136 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.299 2.378 -11.307 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.316 4.808 -11.876 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.221 2.822 -9.845 1.00 0.00 C ATOM 0 H ILE A 9 9.408 1.103 -13.194 1.00 0.00 H new ATOM 0 HA ILE A 9 9.381 3.935 -14.144 1.00 0.00 H new ATOM 0 HB ILE A 9 11.046 3.511 -11.845 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.297 2.196 -11.697 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.846 1.439 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.373 5.045 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.818 5.587 -12.450 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.271 4.751 -12.179 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.725 2.050 -9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.228 2.982 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.655 3.751 -9.777 1.00 0.00 H new ATOM 152 N GLY A 10 11.778 1.795 -14.424 1.00 0.00 N ATOM 153 CA GLY A 10 13.149 1.602 -14.976 1.00 0.00 C ATOM 154 C GLY A 10 14.171 1.655 -13.840 1.00 0.00 C ATOM 155 O GLY A 10 15.336 1.363 -14.026 1.00 0.00 O ATOM 0 H GLY A 10 11.256 0.937 -14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.213 0.644 -15.492 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.368 2.375 -15.712 1.00 0.00 H new ATOM 159 N GLY A 11 13.747 2.025 -12.662 1.00 0.00 N ATOM 160 CA GLY A 11 14.696 2.096 -11.515 1.00 0.00 C ATOM 161 C GLY A 11 14.040 1.496 -10.271 1.00 0.00 C ATOM 162 O GLY A 11 13.455 0.433 -10.317 1.00 0.00 O ATOM 0 H GLY A 11 12.784 2.281 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.612 1.555 -11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.978 3.132 -11.326 1.00 0.00 H new ATOM 166 N ASP A 12 14.132 2.171 -9.158 1.00 0.00 N ATOM 167 CA ASP A 12 13.513 1.639 -7.911 1.00 0.00 C ATOM 168 C ASP A 12 12.362 2.551 -7.484 1.00 0.00 C ATOM 169 O ASP A 12 12.173 3.623 -8.025 1.00 0.00 O ATOM 170 CB ASP A 12 14.563 1.588 -6.800 1.00 0.00 C ATOM 171 CG ASP A 12 15.273 2.940 -6.706 1.00 0.00 C ATOM 172 OD1 ASP A 12 14.602 3.923 -6.439 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.477 2.969 -6.905 1.00 0.00 O ATOM 0 H ASP A 12 14.609 3.067 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 12 13.132 0.635 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.089 1.347 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.286 0.799 -7.005 1.00 0.00 H new ATOM 178 N GLY A 13 11.591 2.137 -6.516 1.00 0.00 N ATOM 179 CA GLY A 13 10.453 2.982 -6.056 1.00 0.00 C ATOM 180 C GLY A 13 10.441 3.036 -4.527 1.00 0.00 C ATOM 181 O GLY A 13 10.119 2.069 -3.865 1.00 0.00 O ATOM 0 H GLY A 13 11.700 1.250 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.545 3.988 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.512 2.574 -6.423 1.00 0.00 H new ATOM 185 N GLU A 14 10.788 4.159 -3.962 1.00 0.00 N ATOM 186 CA GLU A 14 10.796 4.273 -2.476 1.00 0.00 C ATOM 187 C GLU A 14 9.518 4.977 -2.014 1.00 0.00 C ATOM 188 O GLU A 14 9.250 6.103 -2.386 1.00 0.00 O ATOM 189 CB GLU A 14 12.015 5.085 -2.033 1.00 0.00 C ATOM 190 CG GLU A 14 12.604 4.470 -0.762 1.00 0.00 C ATOM 191 CD GLU A 14 12.392 5.427 0.414 1.00 0.00 C ATOM 192 OE1 GLU A 14 12.481 6.624 0.201 1.00 0.00 O ATOM 193 OE2 GLU A 14 12.145 4.945 1.507 1.00 0.00 O ATOM 0 H GLU A 14 11.066 5.002 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 14 10.844 3.278 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.764 5.097 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.728 6.120 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.128 3.511 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.668 4.275 -0.899 1.00 0.00 H new ATOM 200 N VAL A 15 8.728 4.324 -1.206 1.00 0.00 N ATOM 201 CA VAL A 15 7.469 4.956 -0.723 1.00 0.00 C ATOM 202 C VAL A 15 7.807 6.134 0.193 1.00 0.00 C ATOM 203 O VAL A 15 8.497 5.986 1.182 1.00 0.00 O ATOM 204 CB VAL A 15 6.648 3.926 0.055 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.288 4.524 0.418 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.442 2.682 -0.813 1.00 0.00 C ATOM 0 H VAL A 15 8.901 3.380 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 15 6.892 5.313 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 15 7.178 3.652 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.704 3.789 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.433 5.411 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.756 4.798 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.857 1.946 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.911 2.958 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.411 2.255 -1.073 1.00 0.00 H new ATOM 216 N ILE A 16 7.325 7.304 -0.126 1.00 0.00 N ATOM 217 CA ILE A 16 7.618 8.489 0.728 1.00 0.00 C ATOM 218 C ILE A 16 6.390 8.822 1.578 1.00 0.00 C ATOM 219 O ILE A 16 6.495 9.411 2.635 1.00 0.00 O ATOM 220 CB ILE A 16 7.960 9.686 -0.161 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.516 10.820 0.705 1.00 0.00 C ATOM 222 CG2 ILE A 16 6.700 10.167 -0.881 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.936 10.472 1.153 1.00 0.00 C ATOM 0 H ILE A 16 6.741 7.490 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 16 8.463 8.266 1.380 1.00 0.00 H new ATOM 0 HB ILE A 16 8.706 9.389 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.520 11.753 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.877 10.975 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.946 11.020 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.303 9.360 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.952 10.464 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.331 11.279 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.919 9.549 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.572 10.339 0.277 1.00 0.00 H new ATOM 235 N GLU A 17 5.224 8.447 1.125 1.00 0.00 N ATOM 236 CA GLU A 17 3.990 8.741 1.907 1.00 0.00 C ATOM 237 C GLU A 17 2.775 8.168 1.175 1.00 0.00 C ATOM 238 O GLU A 17 2.669 8.256 -0.033 1.00 0.00 O ATOM 239 CB GLU A 17 3.830 10.255 2.056 1.00 0.00 C ATOM 240 CG GLU A 17 2.602 10.556 2.918 1.00 0.00 C ATOM 241 CD GLU A 17 2.354 12.066 2.945 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.196 12.638 1.879 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.327 12.622 4.030 1.00 0.00 O ATOM 0 H GLU A 17 5.073 7.950 0.247 1.00 0.00 H new ATOM 0 HA GLU A 17 4.067 8.286 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.722 10.682 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.722 10.718 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.729 10.041 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.756 10.184 3.931 1.00 0.00 H new ATOM 250 N LEU A 18 1.858 7.583 1.895 1.00 0.00 N ATOM 251 CA LEU A 18 0.654 7.007 1.245 1.00 0.00 C ATOM 252 C LEU A 18 -0.535 7.946 1.455 1.00 0.00 C ATOM 253 O LEU A 18 -0.595 8.681 2.421 1.00 0.00 O ATOM 254 CB LEU A 18 0.335 5.637 1.857 1.00 0.00 C ATOM 255 CG LEU A 18 0.987 5.488 3.235 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.356 6.483 4.210 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.768 4.064 3.748 1.00 0.00 C ATOM 0 H LEU A 18 1.894 7.480 2.909 1.00 0.00 H new ATOM 0 HA LEU A 18 0.845 6.888 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.745 5.517 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.690 4.847 1.195 1.00 0.00 H new ATOM 0 HG LEU A 18 2.056 5.687 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.821 6.376 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.510 7.498 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.713 6.285 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.231 3.955 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.301 3.866 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.218 3.354 3.054 1.00 0.00 H new ATOM 269 N LEU A 19 -1.483 7.928 0.558 1.00 0.00 N ATOM 270 CA LEU A 19 -2.667 8.820 0.707 1.00 0.00 C ATOM 271 C LEU A 19 -3.911 7.975 0.985 1.00 0.00 C ATOM 272 O LEU A 19 -5.019 8.362 0.670 1.00 0.00 O ATOM 273 CB LEU A 19 -2.870 9.619 -0.582 1.00 0.00 C ATOM 274 CG LEU A 19 -1.512 10.068 -1.124 1.00 0.00 C ATOM 275 CD1 LEU A 19 -1.211 9.327 -2.428 1.00 0.00 C ATOM 276 CD2 LEU A 19 -1.544 11.576 -1.390 1.00 0.00 C ATOM 0 H LEU A 19 -1.488 7.334 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.502 9.507 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.385 9.008 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.501 10.486 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.736 9.843 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.243 9.648 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.189 8.254 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.986 9.551 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.577 11.898 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.320 11.800 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.758 12.105 -0.461 1.00 0.00 H new ATOM 288 N VAL A 20 -3.738 6.823 1.573 1.00 0.00 N ATOM 289 CA VAL A 20 -4.912 5.954 1.870 1.00 0.00 C ATOM 290 C VAL A 20 -4.626 5.122 3.122 1.00 0.00 C ATOM 291 O VAL A 20 -3.507 5.046 3.587 1.00 0.00 O ATOM 292 CB VAL A 20 -5.169 5.022 0.685 1.00 0.00 C ATOM 293 CG1 VAL A 20 -5.614 5.844 -0.526 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.882 4.268 0.343 1.00 0.00 C ATOM 0 H VAL A 20 -2.835 6.446 1.861 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.791 6.575 2.040 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.951 4.310 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.797 5.179 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.530 6.383 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.833 6.557 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.063 3.603 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.101 4.982 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.564 3.681 1.205 1.00 0.00 H new ATOM 304 N LYS A 21 -5.631 4.494 3.670 1.00 0.00 N ATOM 305 CA LYS A 21 -5.417 3.666 4.890 1.00 0.00 C ATOM 306 C LYS A 21 -6.104 2.310 4.713 1.00 0.00 C ATOM 307 O LYS A 21 -6.514 1.948 3.629 1.00 0.00 O ATOM 308 CB LYS A 21 -6.010 4.384 6.105 1.00 0.00 C ATOM 309 CG LYS A 21 -4.910 5.167 6.824 1.00 0.00 C ATOM 310 CD LYS A 21 -5.381 6.601 7.071 1.00 0.00 C ATOM 311 CE LYS A 21 -5.215 7.422 5.790 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.997 8.274 5.901 1.00 0.00 N ATOM 0 H LYS A 21 -6.591 4.519 3.325 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.349 3.515 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.805 5.060 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.459 3.660 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.666 4.685 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.000 5.170 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.425 6.603 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.805 7.050 7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.131 6.759 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.094 8.045 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.883 8.832 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.095 8.916 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.162 7.669 6.036 1.00 0.00 H new ATOM 326 N THR A 22 -6.231 1.557 5.771 1.00 0.00 N ATOM 327 CA THR A 22 -6.891 0.226 5.663 1.00 0.00 C ATOM 328 C THR A 22 -8.407 0.397 5.782 1.00 0.00 C ATOM 329 O THR A 22 -8.900 1.041 6.685 1.00 0.00 O ATOM 330 CB THR A 22 -6.391 -0.686 6.785 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.976 -0.790 6.712 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.015 -2.074 6.635 1.00 0.00 C ATOM 0 H THR A 22 -5.906 1.806 6.705 1.00 0.00 H new ATOM 0 HA THR A 22 -6.650 -0.221 4.698 1.00 0.00 H new ATOM 0 HB THR A 22 -6.676 -0.266 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.653 -1.372 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.657 -2.722 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.101 -1.993 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.732 -2.498 5.671 1.00 0.00 H new ATOM 340 N GLY A 23 -9.151 -0.176 4.876 1.00 0.00 N ATOM 341 CA GLY A 23 -10.635 -0.047 4.938 1.00 0.00 C ATOM 342 C GLY A 23 -11.057 1.312 4.373 1.00 0.00 C ATOM 343 O GLY A 23 -12.223 1.653 4.360 1.00 0.00 O ATOM 0 H GLY A 23 -8.796 -0.728 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.104 -0.850 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.976 -0.145 5.969 1.00 0.00 H new ATOM 347 N ASP A 24 -10.120 2.091 3.907 1.00 0.00 N ATOM 348 CA ASP A 24 -10.472 3.425 3.345 1.00 0.00 C ATOM 349 C ASP A 24 -10.880 3.269 1.879 1.00 0.00 C ATOM 350 O ASP A 24 -10.237 2.574 1.116 1.00 0.00 O ATOM 351 CB ASP A 24 -9.261 4.356 3.441 1.00 0.00 C ATOM 352 CG ASP A 24 -9.277 5.075 4.792 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.846 4.532 5.724 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.721 6.158 4.870 1.00 0.00 O ATOM 0 H ASP A 24 -9.126 1.861 3.891 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.302 3.849 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.339 3.784 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.283 5.083 2.629 1.00 0.00 H new ATOM 359 N LEU A 25 -11.944 3.910 1.477 1.00 0.00 N ATOM 360 CA LEU A 25 -12.392 3.796 0.060 1.00 0.00 C ATOM 361 C LEU A 25 -11.714 4.882 -0.779 1.00 0.00 C ATOM 362 O LEU A 25 -11.755 6.050 -0.449 1.00 0.00 O ATOM 363 CB LEU A 25 -13.910 3.970 -0.011 1.00 0.00 C ATOM 364 CG LEU A 25 -14.427 3.406 -1.335 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.406 1.877 -1.282 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.862 3.886 -1.567 1.00 0.00 C ATOM 0 H LEU A 25 -12.522 4.507 2.068 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.120 2.814 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.385 3.457 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.170 5.025 0.073 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.790 3.751 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.775 1.475 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.385 1.533 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.043 1.532 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -16.232 3.485 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.498 3.540 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.880 4.975 -1.604 1.00 0.00 H new ATOM 378 N ILE A 26 -11.090 4.505 -1.862 1.00 0.00 N ATOM 379 CA ILE A 26 -10.411 5.511 -2.721 1.00 0.00 C ATOM 380 C ILE A 26 -11.324 5.865 -3.897 1.00 0.00 C ATOM 381 O ILE A 26 -12.473 5.473 -3.942 1.00 0.00 O ATOM 382 CB ILE A 26 -9.103 4.915 -3.242 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.488 4.016 -2.167 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.123 6.039 -3.583 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.314 3.237 -2.763 1.00 0.00 C ATOM 0 H ILE A 26 -11.022 3.541 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.197 6.413 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.307 4.328 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.148 4.619 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.239 3.325 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.192 5.610 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.558 6.681 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.920 6.628 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.876 2.597 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.668 2.623 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.560 3.936 -3.126 1.00 0.00 H new ATOM 397 N GLU A 27 -10.824 6.601 -4.850 1.00 0.00 N ATOM 398 CA GLU A 27 -11.666 6.978 -6.020 1.00 0.00 C ATOM 399 C GLU A 27 -10.823 6.921 -7.295 1.00 0.00 C ATOM 400 O GLU A 27 -9.610 6.875 -7.246 1.00 0.00 O ATOM 401 CB GLU A 27 -12.205 8.397 -5.826 1.00 0.00 C ATOM 402 CG GLU A 27 -13.510 8.344 -5.030 1.00 0.00 C ATOM 403 CD GLU A 27 -14.557 7.553 -5.817 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.692 7.804 -7.002 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.204 6.708 -5.219 1.00 0.00 O ATOM 0 H GLU A 27 -9.869 6.958 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.501 6.282 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.471 9.007 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.376 8.868 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.338 7.876 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.872 9.354 -4.837 1.00 0.00 H new ATOM 412 N VAL A 28 -11.455 6.926 -8.437 1.00 0.00 N ATOM 413 CA VAL A 28 -10.687 6.873 -9.713 1.00 0.00 C ATOM 414 C VAL A 28 -10.164 8.271 -10.050 1.00 0.00 C ATOM 415 O VAL A 28 -10.681 8.944 -10.921 1.00 0.00 O ATOM 416 CB VAL A 28 -11.601 6.386 -10.838 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.734 7.391 -11.050 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.791 6.253 -12.130 1.00 0.00 C ATOM 0 H VAL A 28 -12.469 6.964 -8.541 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.847 6.186 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.022 5.417 -10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.384 7.042 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.312 7.487 -10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.315 8.361 -11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.441 5.906 -12.933 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.370 7.222 -12.397 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.984 5.536 -11.981 1.00 0.00 H new ATOM 428 N GLU A 29 -9.141 8.711 -9.369 1.00 0.00 N ATOM 429 CA GLU A 29 -8.581 10.062 -9.646 1.00 0.00 C ATOM 430 C GLU A 29 -7.709 10.499 -8.467 1.00 0.00 C ATOM 431 O GLU A 29 -6.745 11.221 -8.629 1.00 0.00 O ATOM 432 CB GLU A 29 -9.722 11.063 -9.835 1.00 0.00 C ATOM 433 CG GLU A 29 -9.840 11.429 -11.316 1.00 0.00 C ATOM 434 CD GLU A 29 -11.252 11.945 -11.603 1.00 0.00 C ATOM 435 OE1 GLU A 29 -11.624 12.951 -11.020 1.00 0.00 O ATOM 436 OE2 GLU A 29 -11.936 11.327 -12.401 1.00 0.00 O ATOM 0 H GLU A 29 -8.668 8.190 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.979 10.027 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.659 10.634 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.536 11.958 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.104 12.190 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.627 10.558 -11.935 1.00 0.00 H new ATOM 443 N GLN A 30 -8.039 10.066 -7.280 1.00 0.00 N ATOM 444 CA GLN A 30 -7.229 10.456 -6.092 1.00 0.00 C ATOM 445 C GLN A 30 -5.876 9.744 -6.142 1.00 0.00 C ATOM 446 O GLN A 30 -5.753 8.663 -6.684 1.00 0.00 O ATOM 447 CB GLN A 30 -7.971 10.054 -4.816 1.00 0.00 C ATOM 448 CG GLN A 30 -7.442 10.874 -3.638 1.00 0.00 C ATOM 449 CD GLN A 30 -8.519 10.967 -2.555 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.778 12.031 -2.029 1.00 0.00 O ATOM 451 NE2 GLN A 30 -9.161 9.888 -2.198 1.00 0.00 N ATOM 0 H GLN A 30 -8.835 9.459 -7.082 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.072 11.535 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.041 10.221 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.834 8.990 -4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.543 10.410 -3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.161 11.872 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.943 8.995 -2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.881 9.938 -1.477 1.00 0.00 H new ATOM 460 N GLY A 31 -4.860 10.340 -5.583 1.00 0.00 N ATOM 461 CA GLY A 31 -3.516 9.696 -5.600 1.00 0.00 C ATOM 462 C GLY A 31 -3.519 8.478 -4.674 1.00 0.00 C ATOM 463 O GLY A 31 -4.414 8.298 -3.872 1.00 0.00 O ATOM 0 H GLY A 31 -4.902 11.245 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.260 9.393 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.756 10.408 -5.278 1.00 0.00 H new ATOM 467 N LEU A 32 -2.525 7.639 -4.780 1.00 0.00 N ATOM 468 CA LEU A 32 -2.471 6.433 -3.907 1.00 0.00 C ATOM 469 C LEU A 32 -1.130 6.393 -3.171 1.00 0.00 C ATOM 470 O LEU A 32 -1.076 6.219 -1.971 1.00 0.00 O ATOM 471 CB LEU A 32 -2.620 5.174 -4.766 1.00 0.00 C ATOM 472 CG LEU A 32 -3.503 4.160 -4.038 1.00 0.00 C ATOM 473 CD1 LEU A 32 -2.844 3.765 -2.714 1.00 0.00 C ATOM 474 CD2 LEU A 32 -4.872 4.785 -3.757 1.00 0.00 C ATOM 0 H LEU A 32 -1.748 7.737 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.282 6.475 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.060 5.429 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.640 4.740 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.627 3.274 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.474 3.042 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.869 3.321 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.720 4.651 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.502 4.063 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.747 5.671 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.343 5.067 -4.698 1.00 0.00 H new ATOM 486 N VAL A 33 -0.046 6.552 -3.882 1.00 0.00 N ATOM 487 CA VAL A 33 1.288 6.521 -3.219 1.00 0.00 C ATOM 488 C VAL A 33 2.239 7.475 -3.942 1.00 0.00 C ATOM 489 O VAL A 33 2.040 7.815 -5.091 1.00 0.00 O ATOM 490 CB VAL A 33 1.852 5.101 -3.273 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.956 4.164 -2.461 1.00 0.00 C ATOM 492 CG2 VAL A 33 1.899 4.627 -4.727 1.00 0.00 C ATOM 0 H VAL A 33 -0.027 6.702 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 33 1.184 6.831 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 33 2.858 5.094 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.358 3.152 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.921 4.501 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.051 4.171 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.301 3.615 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.892 4.634 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.537 5.294 -5.307 1.00 0.00 H new ATOM 502 N VAL A 34 3.275 7.911 -3.279 1.00 0.00 N ATOM 503 CA VAL A 34 4.239 8.843 -3.928 1.00 0.00 C ATOM 504 C VAL A 34 5.654 8.272 -3.815 1.00 0.00 C ATOM 505 O VAL A 34 6.375 8.556 -2.880 1.00 0.00 O ATOM 506 CB VAL A 34 4.180 10.204 -3.234 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.187 11.154 -3.885 1.00 0.00 C ATOM 508 CG2 VAL A 34 2.770 10.785 -3.372 1.00 0.00 C ATOM 0 H VAL A 34 3.495 7.662 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 34 3.978 8.962 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 34 4.424 10.084 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.145 12.124 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.191 10.741 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.944 11.274 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.726 11.755 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.527 10.904 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.051 10.109 -2.909 1.00 0.00 H new ATOM 518 N LEU A 35 6.055 7.466 -4.760 1.00 0.00 N ATOM 519 CA LEU A 35 7.422 6.877 -4.705 1.00 0.00 C ATOM 520 C LEU A 35 8.406 7.799 -5.428 1.00 0.00 C ATOM 521 O LEU A 35 8.041 8.526 -6.330 1.00 0.00 O ATOM 522 CB LEU A 35 7.415 5.505 -5.384 1.00 0.00 C ATOM 523 CG LEU A 35 6.210 4.701 -4.895 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.440 4.150 -6.097 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.694 3.538 -4.025 1.00 0.00 C ATOM 0 H LEU A 35 5.495 7.190 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 35 7.727 6.766 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.372 5.623 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.338 4.971 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 35 5.556 5.348 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.581 3.577 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.096 4.977 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.094 3.503 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.836 2.964 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.348 2.893 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.243 3.929 -3.168 1.00 0.00 H new ATOM 537 N GLU A 36 9.651 7.774 -5.041 1.00 0.00 N ATOM 538 CA GLU A 36 10.657 8.648 -5.706 1.00 0.00 C ATOM 539 C GLU A 36 11.323 7.881 -6.850 1.00 0.00 C ATOM 540 O GLU A 36 11.000 6.741 -7.117 1.00 0.00 O ATOM 541 CB GLU A 36 11.719 9.071 -4.689 1.00 0.00 C ATOM 542 CG GLU A 36 11.865 10.593 -4.705 1.00 0.00 C ATOM 543 CD GLU A 36 11.153 11.189 -3.488 1.00 0.00 C ATOM 544 OE1 GLU A 36 11.737 11.169 -2.417 1.00 0.00 O ATOM 545 OE2 GLU A 36 10.037 11.653 -3.648 1.00 0.00 O ATOM 0 H GLU A 36 10.016 7.185 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 36 10.161 9.534 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.438 8.733 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.673 8.601 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.920 10.868 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.440 11.000 -5.623 1.00 0.00 H new ATOM 552 N SER A 37 12.252 8.498 -7.529 1.00 0.00 N ATOM 553 CA SER A 37 12.937 7.803 -8.655 1.00 0.00 C ATOM 554 C SER A 37 14.424 8.163 -8.647 1.00 0.00 C ATOM 555 O SER A 37 14.874 8.966 -7.855 1.00 0.00 O ATOM 556 CB SER A 37 12.314 8.242 -9.980 1.00 0.00 C ATOM 557 OG SER A 37 10.959 8.613 -9.761 1.00 0.00 O ATOM 0 H SER A 37 12.566 9.452 -7.352 1.00 0.00 H new ATOM 0 HA SER A 37 12.823 6.725 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.870 9.082 -10.396 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.368 7.432 -10.707 1.00 0.00 H new ATOM 0 HG SER A 37 10.926 9.404 -9.183 1.00 0.00 H new ATOM 563 N ALA A 38 15.191 7.572 -9.523 1.00 0.00 N ATOM 564 CA ALA A 38 16.648 7.881 -9.564 1.00 0.00 C ATOM 565 C ALA A 38 16.853 9.393 -9.454 1.00 0.00 C ATOM 566 O ALA A 38 17.634 9.867 -8.653 1.00 0.00 O ATOM 567 CB ALA A 38 17.237 7.382 -10.886 1.00 0.00 C ATOM 0 H ALA A 38 14.872 6.890 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 38 17.148 7.385 -8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.303 7.607 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.091 6.305 -10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.737 7.878 -11.718 1.00 0.00 H new ATOM 573 N LYS A 39 16.156 10.155 -10.253 1.00 0.00 N ATOM 574 CA LYS A 39 16.312 11.637 -10.192 1.00 0.00 C ATOM 575 C LYS A 39 14.974 12.303 -10.520 1.00 0.00 C ATOM 576 O LYS A 39 14.928 13.370 -11.099 1.00 0.00 O ATOM 577 CB LYS A 39 17.365 12.080 -11.209 1.00 0.00 C ATOM 578 CG LYS A 39 17.866 13.480 -10.847 1.00 0.00 C ATOM 579 CD LYS A 39 17.658 14.420 -12.036 1.00 0.00 C ATOM 580 CE LYS A 39 18.221 15.802 -11.701 1.00 0.00 C ATOM 581 NZ LYS A 39 18.991 16.321 -12.866 1.00 0.00 N ATOM 0 H LYS A 39 15.487 9.816 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 39 16.628 11.929 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.197 11.375 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.939 12.083 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.330 13.855 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.922 13.442 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.153 14.019 -12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.596 14.496 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.410 16.487 -11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.865 15.741 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.374 17.261 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.774 15.671 -13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.364 16.394 -13.692 1.00 0.00 H new ATOM 595 N ALA A 40 13.886 11.682 -10.155 1.00 0.00 N ATOM 596 CA ALA A 40 12.554 12.281 -10.447 1.00 0.00 C ATOM 597 C ALA A 40 11.518 11.722 -9.469 1.00 0.00 C ATOM 598 O ALA A 40 11.777 10.780 -8.747 1.00 0.00 O ATOM 599 CB ALA A 40 12.140 11.934 -11.878 1.00 0.00 C ATOM 0 H ALA A 40 13.862 10.786 -9.668 1.00 0.00 H new ATOM 0 HA ALA A 40 12.612 13.364 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.165 12.373 -12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.877 12.331 -12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.082 10.851 -11.988 1.00 0.00 H new ATOM 605 N SER A 41 10.347 12.297 -9.438 1.00 0.00 N ATOM 606 CA SER A 41 9.296 11.799 -8.506 1.00 0.00 C ATOM 607 C SER A 41 8.042 11.433 -9.302 1.00 0.00 C ATOM 608 O SER A 41 7.612 12.164 -10.173 1.00 0.00 O ATOM 609 CB SER A 41 8.956 12.890 -7.491 1.00 0.00 C ATOM 610 OG SER A 41 10.066 13.090 -6.627 1.00 0.00 O ATOM 0 H SER A 41 10.073 13.090 -10.018 1.00 0.00 H new ATOM 0 HA SER A 41 9.663 10.917 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.710 13.818 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.077 12.604 -6.913 1.00 0.00 H new ATOM 0 HG SER A 41 9.917 12.609 -5.786 1.00 0.00 H new ATOM 616 N MET A 42 7.449 10.308 -9.011 1.00 0.00 N ATOM 617 CA MET A 42 6.224 9.897 -9.751 1.00 0.00 C ATOM 618 C MET A 42 5.163 9.418 -8.756 1.00 0.00 C ATOM 619 O MET A 42 5.451 8.680 -7.835 1.00 0.00 O ATOM 620 CB MET A 42 6.567 8.761 -10.716 1.00 0.00 C ATOM 621 CG MET A 42 7.961 8.994 -11.304 1.00 0.00 C ATOM 622 SD MET A 42 7.913 10.417 -12.423 1.00 0.00 S ATOM 623 CE MET A 42 8.991 9.734 -13.705 1.00 0.00 C ATOM 0 H MET A 42 7.761 9.655 -8.292 1.00 0.00 H new ATOM 0 HA MET A 42 5.838 10.747 -10.313 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.536 7.805 -10.194 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.827 8.712 -11.515 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.680 9.171 -10.504 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.294 8.106 -11.841 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.103 10.459 -14.511 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.969 9.512 -13.278 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.551 8.818 -14.100 1.00 0.00 H new ATOM 633 N GLU A 43 3.939 9.834 -8.935 1.00 0.00 N ATOM 634 CA GLU A 43 2.863 9.403 -7.999 1.00 0.00 C ATOM 635 C GLU A 43 1.958 8.383 -8.695 1.00 0.00 C ATOM 636 O GLU A 43 2.001 8.221 -9.898 1.00 0.00 O ATOM 637 CB GLU A 43 2.033 10.619 -7.581 1.00 0.00 C ATOM 638 CG GLU A 43 0.782 10.153 -6.834 1.00 0.00 C ATOM 639 CD GLU A 43 0.060 11.364 -6.240 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.537 11.884 -5.245 1.00 0.00 O ATOM 641 OE2 GLU A 43 -0.957 11.750 -6.791 1.00 0.00 O ATOM 0 H GLU A 43 3.638 10.453 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 43 3.311 8.948 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.626 11.275 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.750 11.198 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.118 9.618 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.057 9.456 -6.042 1.00 0.00 H new ATOM 648 N VAL A 44 1.140 7.695 -7.947 1.00 0.00 N ATOM 649 CA VAL A 44 0.234 6.687 -8.564 1.00 0.00 C ATOM 650 C VAL A 44 -1.090 6.654 -7.789 1.00 0.00 C ATOM 651 O VAL A 44 -1.121 6.233 -6.650 1.00 0.00 O ATOM 652 CB VAL A 44 0.891 5.308 -8.498 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.143 4.340 -9.416 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.348 5.418 -8.954 1.00 0.00 C ATOM 0 H VAL A 44 1.060 7.788 -6.934 1.00 0.00 H new ATOM 0 HA VAL A 44 0.045 6.953 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 44 0.855 4.937 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.612 3.357 -9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.895 4.262 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.179 4.710 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.819 4.436 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.382 5.789 -9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.883 6.108 -8.301 1.00 0.00 H new ATOM 664 N PRO A 45 -2.144 7.103 -8.423 1.00 0.00 N ATOM 665 CA PRO A 45 -3.481 7.137 -7.805 1.00 0.00 C ATOM 666 C PRO A 45 -4.103 5.739 -7.800 1.00 0.00 C ATOM 667 O PRO A 45 -3.448 4.754 -8.077 1.00 0.00 O ATOM 668 CB PRO A 45 -4.274 8.083 -8.708 1.00 0.00 C ATOM 669 CG PRO A 45 -3.551 8.089 -10.074 1.00 0.00 C ATOM 670 CD PRO A 45 -2.108 7.616 -9.809 1.00 0.00 C ATOM 0 HA PRO A 45 -3.463 7.465 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.305 7.745 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.310 9.086 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.052 7.428 -10.781 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.558 9.087 -10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.807 6.840 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.395 8.434 -9.913 1.00 0.00 H new ATOM 678 N SER A 46 -5.365 5.647 -7.486 1.00 0.00 N ATOM 679 CA SER A 46 -6.033 4.315 -7.460 1.00 0.00 C ATOM 680 C SER A 46 -6.520 3.961 -8.871 1.00 0.00 C ATOM 681 O SER A 46 -7.167 4.763 -9.515 1.00 0.00 O ATOM 682 CB SER A 46 -7.227 4.366 -6.509 1.00 0.00 C ATOM 683 OG SER A 46 -8.271 3.548 -7.022 1.00 0.00 O ATOM 0 H SER A 46 -5.964 6.437 -7.246 1.00 0.00 H new ATOM 0 HA SER A 46 -5.326 3.559 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.932 4.021 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.575 5.393 -6.398 1.00 0.00 H new ATOM 0 HG SER A 46 -8.650 3.008 -6.297 1.00 0.00 H new ATOM 689 N PRO A 47 -6.197 2.769 -9.314 1.00 0.00 N ATOM 690 CA PRO A 47 -6.595 2.288 -10.647 1.00 0.00 C ATOM 691 C PRO A 47 -8.054 1.830 -10.637 1.00 0.00 C ATOM 692 O PRO A 47 -8.624 1.506 -11.660 1.00 0.00 O ATOM 693 CB PRO A 47 -5.654 1.106 -10.897 1.00 0.00 C ATOM 694 CG PRO A 47 -5.180 0.624 -9.505 1.00 0.00 C ATOM 695 CD PRO A 47 -5.407 1.796 -8.532 1.00 0.00 C ATOM 0 HA PRO A 47 -6.524 3.055 -11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.168 0.307 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.807 1.407 -11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.740 -0.256 -9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.128 0.340 -9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.943 1.474 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.462 2.226 -8.199 1.00 0.00 H new ATOM 703 N LYS A 48 -8.662 1.801 -9.485 1.00 0.00 N ATOM 704 CA LYS A 48 -10.084 1.365 -9.400 1.00 0.00 C ATOM 705 C LYS A 48 -10.696 1.869 -8.092 1.00 0.00 C ATOM 706 O LYS A 48 -10.020 2.007 -7.093 1.00 0.00 O ATOM 707 CB LYS A 48 -10.153 -0.163 -9.440 1.00 0.00 C ATOM 708 CG LYS A 48 -10.851 -0.610 -10.725 1.00 0.00 C ATOM 709 CD LYS A 48 -11.769 -1.796 -10.422 1.00 0.00 C ATOM 710 CE LYS A 48 -13.201 -1.452 -10.837 1.00 0.00 C ATOM 711 NZ LYS A 48 -14.133 -2.489 -10.309 1.00 0.00 N ATOM 0 H LYS A 48 -8.235 2.061 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.640 1.776 -10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.149 -0.584 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.695 -0.536 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.430 0.214 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.111 -0.891 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.426 -2.681 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.734 -2.034 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.477 -0.470 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.274 -1.401 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.107 -2.256 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.873 -3.419 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.070 -2.517 -9.271 1.00 0.00 H new ATOM 725 N ALA A 49 -11.972 2.141 -8.087 1.00 0.00 N ATOM 726 CA ALA A 49 -12.626 2.632 -6.842 1.00 0.00 C ATOM 727 C ALA A 49 -12.911 1.449 -5.915 1.00 0.00 C ATOM 728 O ALA A 49 -13.911 0.770 -6.051 1.00 0.00 O ATOM 729 CB ALA A 49 -13.939 3.332 -7.196 1.00 0.00 C ATOM 0 H ALA A 49 -12.590 2.044 -8.892 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.964 3.337 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.417 3.691 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.735 4.176 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.602 2.629 -7.701 1.00 0.00 H new ATOM 735 N GLY A 50 -12.045 1.196 -4.973 1.00 0.00 N ATOM 736 CA GLY A 50 -12.269 0.056 -4.040 1.00 0.00 C ATOM 737 C GLY A 50 -11.754 0.426 -2.648 1.00 0.00 C ATOM 738 O GLY A 50 -11.204 1.488 -2.442 1.00 0.00 O ATOM 0 H GLY A 50 -11.191 1.730 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.331 -0.187 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.755 -0.833 -4.405 1.00 0.00 H new ATOM 742 N VAL A 51 -11.926 -0.444 -1.691 1.00 0.00 N ATOM 743 CA VAL A 51 -11.445 -0.140 -0.314 1.00 0.00 C ATOM 744 C VAL A 51 -10.163 -0.927 -0.036 1.00 0.00 C ATOM 745 O VAL A 51 -10.049 -2.087 -0.377 1.00 0.00 O ATOM 746 CB VAL A 51 -12.519 -0.538 0.701 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.844 -2.024 0.543 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.000 -0.279 2.117 1.00 0.00 C ATOM 0 H VAL A 51 -12.378 -1.351 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.241 0.927 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.419 0.051 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.609 -2.308 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.211 -2.211 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.944 -2.614 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.763 -0.562 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.100 -0.870 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.766 0.779 2.231 1.00 0.00 H new ATOM 758 N VAL A 52 -9.196 -0.304 0.582 1.00 0.00 N ATOM 759 CA VAL A 52 -7.922 -1.017 0.880 1.00 0.00 C ATOM 760 C VAL A 52 -8.228 -2.316 1.628 1.00 0.00 C ATOM 761 O VAL A 52 -8.947 -2.324 2.608 1.00 0.00 O ATOM 762 CB VAL A 52 -7.032 -0.126 1.748 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.698 -0.830 2.002 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.778 1.199 1.024 1.00 0.00 C ATOM 0 H VAL A 52 -9.234 0.667 0.893 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.407 -1.248 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.528 0.067 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.064 -0.195 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.877 -1.775 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.201 -1.023 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.144 1.835 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.281 1.005 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.728 1.702 0.841 1.00 0.00 H new ATOM 774 N LYS A 53 -7.688 -3.413 1.175 1.00 0.00 N ATOM 775 CA LYS A 53 -7.949 -4.710 1.861 1.00 0.00 C ATOM 776 C LYS A 53 -6.640 -5.253 2.439 1.00 0.00 C ATOM 777 O LYS A 53 -6.640 -6.107 3.304 1.00 0.00 O ATOM 778 CB LYS A 53 -8.516 -5.714 0.855 1.00 0.00 C ATOM 779 CG LYS A 53 -9.745 -6.400 1.455 1.00 0.00 C ATOM 780 CD LYS A 53 -9.754 -7.876 1.052 1.00 0.00 C ATOM 781 CE LYS A 53 -10.024 -8.741 2.284 1.00 0.00 C ATOM 782 NZ LYS A 53 -9.219 -9.992 2.199 1.00 0.00 N ATOM 0 H LYS A 53 -7.077 -3.468 0.360 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.667 -4.557 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.786 -5.205 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.760 -6.457 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.731 -6.309 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.654 -5.911 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.519 -8.053 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.797 -8.148 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.768 -8.192 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.085 -8.982 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.402 -10.580 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.484 -10.518 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.208 -9.752 2.159 1.00 0.00 H new ATOM 796 N SER A 54 -5.525 -4.767 1.970 1.00 0.00 N ATOM 797 CA SER A 54 -4.219 -5.256 2.494 1.00 0.00 C ATOM 798 C SER A 54 -3.107 -4.292 2.076 1.00 0.00 C ATOM 799 O SER A 54 -3.181 -3.653 1.045 1.00 0.00 O ATOM 800 CB SER A 54 -3.929 -6.645 1.924 1.00 0.00 C ATOM 801 OG SER A 54 -3.089 -6.519 0.784 1.00 0.00 O ATOM 0 H SER A 54 -5.461 -4.052 1.246 1.00 0.00 H new ATOM 0 HA SER A 54 -4.262 -5.311 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.447 -7.267 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.861 -7.140 1.651 1.00 0.00 H new ATOM 0 HG SER A 54 -2.900 -7.408 0.417 1.00 0.00 H new ATOM 807 N VAL A 55 -2.075 -4.182 2.868 1.00 0.00 N ATOM 808 CA VAL A 55 -0.960 -3.258 2.515 1.00 0.00 C ATOM 809 C VAL A 55 0.371 -4.003 2.623 1.00 0.00 C ATOM 810 O VAL A 55 0.754 -4.461 3.682 1.00 0.00 O ATOM 811 CB VAL A 55 -0.958 -2.070 3.478 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.183 -1.119 3.115 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.293 -1.328 3.372 1.00 0.00 C ATOM 0 H VAL A 55 -1.956 -4.692 3.743 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.095 -2.898 1.495 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.820 -2.429 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.184 -0.273 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.134 -1.647 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.046 -0.759 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.294 -0.481 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.430 -0.969 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.107 -2.005 3.631 1.00 0.00 H new ATOM 823 N SER A 56 1.082 -4.128 1.535 1.00 0.00 N ATOM 824 CA SER A 56 2.389 -4.843 1.577 1.00 0.00 C ATOM 825 C SER A 56 3.528 -3.821 1.585 1.00 0.00 C ATOM 826 O SER A 56 4.672 -4.151 1.339 1.00 0.00 O ATOM 827 CB SER A 56 2.517 -5.742 0.347 1.00 0.00 C ATOM 828 OG SER A 56 2.583 -7.099 0.763 1.00 0.00 O ATOM 0 H SER A 56 0.814 -3.766 0.620 1.00 0.00 H new ATOM 0 HA SER A 56 2.442 -5.453 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.665 -5.594 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.411 -5.479 -0.219 1.00 0.00 H new ATOM 0 HG SER A 56 2.663 -7.679 -0.023 1.00 0.00 H new ATOM 834 N VAL A 57 3.225 -2.583 1.864 1.00 0.00 N ATOM 835 CA VAL A 57 4.291 -1.543 1.886 1.00 0.00 C ATOM 836 C VAL A 57 4.067 -0.608 3.076 1.00 0.00 C ATOM 837 O VAL A 57 2.991 -0.549 3.637 1.00 0.00 O ATOM 838 CB VAL A 57 4.241 -0.735 0.588 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.468 -1.667 -0.603 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.871 -0.066 0.457 1.00 0.00 C ATOM 0 H VAL A 57 2.286 -2.247 2.078 1.00 0.00 H new ATOM 0 HA VAL A 57 5.265 -2.023 1.979 1.00 0.00 H new ATOM 0 HB VAL A 57 5.019 0.028 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.432 -1.091 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.443 -2.145 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.690 -2.431 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.834 0.510 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.093 -0.830 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.708 0.599 1.305 1.00 0.00 H new ATOM 850 N LYS A 58 5.075 0.122 3.468 1.00 0.00 N ATOM 851 CA LYS A 58 4.919 1.052 4.622 1.00 0.00 C ATOM 852 C LYS A 58 5.654 2.361 4.326 1.00 0.00 C ATOM 853 O LYS A 58 6.015 2.639 3.200 1.00 0.00 O ATOM 854 CB LYS A 58 5.509 0.409 5.878 1.00 0.00 C ATOM 855 CG LYS A 58 4.562 0.629 7.059 1.00 0.00 C ATOM 856 CD LYS A 58 4.715 -0.519 8.059 1.00 0.00 C ATOM 857 CE LYS A 58 3.333 -0.985 8.519 1.00 0.00 C ATOM 858 NZ LYS A 58 3.404 -2.412 8.939 1.00 0.00 N ATOM 0 H LYS A 58 6.000 0.115 3.039 1.00 0.00 H new ATOM 0 HA LYS A 58 3.861 1.258 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.662 -0.658 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.485 0.842 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.784 1.580 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.532 0.684 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.254 -1.347 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.304 -0.192 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.987 -0.368 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.611 -0.868 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.464 -2.729 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.717 -2.995 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.081 -2.510 9.722 1.00 0.00 H new ATOM 872 N LEU A 59 5.878 3.166 5.328 1.00 0.00 N ATOM 873 CA LEU A 59 6.590 4.455 5.102 1.00 0.00 C ATOM 874 C LEU A 59 8.098 4.202 5.042 1.00 0.00 C ATOM 875 O LEU A 59 8.681 3.650 5.954 1.00 0.00 O ATOM 876 CB LEU A 59 6.281 5.417 6.252 1.00 0.00 C ATOM 877 CG LEU A 59 6.714 4.787 7.576 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.873 5.588 8.168 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.536 4.797 8.553 1.00 0.00 C ATOM 0 H LEU A 59 5.599 2.987 6.293 1.00 0.00 H new ATOM 0 HA LEU A 59 6.257 4.893 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.802 6.362 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.215 5.641 6.276 1.00 0.00 H new ATOM 0 HG LEU A 59 7.035 3.760 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.181 5.138 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.712 5.582 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.553 6.615 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.843 4.348 9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.216 5.824 8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.709 4.226 8.132 1.00 0.00 H new ATOM 891 N GLY A 60 8.734 4.601 3.975 1.00 0.00 N ATOM 892 CA GLY A 60 10.203 4.382 3.858 1.00 0.00 C ATOM 893 C GLY A 60 10.473 2.991 3.281 1.00 0.00 C ATOM 894 O GLY A 60 11.602 2.622 3.030 1.00 0.00 O ATOM 0 H GLY A 60 8.300 5.069 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.644 5.144 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.674 4.478 4.836 1.00 0.00 H new ATOM 898 N ASP A 61 9.446 2.215 3.067 1.00 0.00 N ATOM 899 CA ASP A 61 9.648 0.849 2.506 1.00 0.00 C ATOM 900 C ASP A 61 10.234 0.960 1.097 1.00 0.00 C ATOM 901 O ASP A 61 9.798 1.759 0.294 1.00 0.00 O ATOM 902 CB ASP A 61 8.305 0.119 2.444 1.00 0.00 C ATOM 903 CG ASP A 61 8.052 -0.599 3.771 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.030 0.072 4.790 1.00 0.00 O ATOM 905 OD2 ASP A 61 7.885 -1.807 3.747 1.00 0.00 O ATOM 0 H ASP A 61 8.476 2.468 3.256 1.00 0.00 H new ATOM 0 HA ASP A 61 10.335 0.292 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.502 0.829 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.307 -0.599 1.624 1.00 0.00 H new ATOM 910 N LYS A 62 11.221 0.163 0.792 1.00 0.00 N ATOM 911 CA LYS A 62 11.834 0.223 -0.565 1.00 0.00 C ATOM 912 C LYS A 62 11.429 -1.016 -1.365 1.00 0.00 C ATOM 913 O LYS A 62 11.629 -2.135 -0.939 1.00 0.00 O ATOM 914 CB LYS A 62 13.359 0.268 -0.434 1.00 0.00 C ATOM 915 CG LYS A 62 13.744 1.168 0.742 1.00 0.00 C ATOM 916 CD LYS A 62 15.173 1.679 0.548 1.00 0.00 C ATOM 917 CE LYS A 62 15.953 1.519 1.853 1.00 0.00 C ATOM 918 NZ LYS A 62 17.215 2.310 1.777 1.00 0.00 N ATOM 0 H LYS A 62 11.629 -0.527 1.423 1.00 0.00 H new ATOM 0 HA LYS A 62 11.485 1.118 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.751 -0.737 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.803 0.646 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.053 2.008 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.669 0.614 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.664 1.124 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.158 2.726 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.349 1.858 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.180 0.467 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.746 2.202 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.793 1.967 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.987 3.314 1.630 1.00 0.00 H new ATOM 932 N LEU A 63 10.859 -0.825 -2.524 1.00 0.00 N ATOM 933 CA LEU A 63 10.441 -1.992 -3.351 1.00 0.00 C ATOM 934 C LEU A 63 10.943 -1.807 -4.784 1.00 0.00 C ATOM 935 O LEU A 63 11.150 -0.701 -5.242 1.00 0.00 O ATOM 936 CB LEU A 63 8.914 -2.094 -3.354 1.00 0.00 C ATOM 937 CG LEU A 63 8.451 -2.871 -2.121 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.058 -1.889 -1.016 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.243 -3.736 -2.486 1.00 0.00 C ATOM 0 H LEU A 63 10.665 0.089 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 63 10.865 -2.905 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.473 -1.097 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.574 -2.594 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 63 9.262 -3.509 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.728 -2.443 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.918 -1.272 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.248 -1.251 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.913 -4.290 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.432 -3.098 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.522 -4.437 -3.273 1.00 0.00 H new ATOM 951 N LYS A 64 11.141 -2.882 -5.496 1.00 0.00 N ATOM 952 CA LYS A 64 11.631 -2.766 -6.899 1.00 0.00 C ATOM 953 C LYS A 64 10.520 -3.185 -7.865 1.00 0.00 C ATOM 954 O LYS A 64 9.681 -4.002 -7.543 1.00 0.00 O ATOM 955 CB LYS A 64 12.844 -3.678 -7.094 1.00 0.00 C ATOM 956 CG LYS A 64 14.039 -2.845 -7.564 1.00 0.00 C ATOM 957 CD LYS A 64 15.245 -3.128 -6.665 1.00 0.00 C ATOM 958 CE LYS A 64 15.755 -4.545 -6.928 1.00 0.00 C ATOM 959 NZ LYS A 64 16.882 -4.847 -6.001 1.00 0.00 N ATOM 0 H LYS A 64 10.985 -3.835 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 64 11.916 -1.733 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.085 -4.185 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.616 -4.452 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.279 -3.087 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.791 -1.784 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.036 -2.403 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.965 -3.019 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.949 -5.265 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.086 -4.638 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.229 -5.811 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.653 -4.167 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.552 -4.775 -5.018 1.00 0.00 H new ATOM 973 N GLU A 65 10.507 -2.628 -9.045 1.00 0.00 N ATOM 974 CA GLU A 65 9.452 -2.987 -10.032 1.00 0.00 C ATOM 975 C GLU A 65 9.232 -4.502 -10.022 1.00 0.00 C ATOM 976 O GLU A 65 10.164 -5.273 -9.906 1.00 0.00 O ATOM 977 CB GLU A 65 9.891 -2.546 -11.430 1.00 0.00 C ATOM 978 CG GLU A 65 11.132 -3.335 -11.849 1.00 0.00 C ATOM 979 CD GLU A 65 12.195 -2.373 -12.381 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.895 -1.787 -11.570 1.00 0.00 O ATOM 981 OE2 GLU A 65 12.292 -2.236 -13.589 1.00 0.00 O ATOM 0 H GLU A 65 11.184 -1.937 -9.368 1.00 0.00 H new ATOM 0 HA GLU A 65 8.522 -2.485 -9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.084 -2.710 -12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.108 -1.478 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.525 -3.893 -10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.870 -4.064 -12.616 1.00 0.00 H new ATOM 988 N GLY A 66 8.007 -4.934 -10.147 1.00 0.00 N ATOM 989 CA GLY A 66 7.729 -6.398 -10.147 1.00 0.00 C ATOM 990 C GLY A 66 7.161 -6.813 -8.789 1.00 0.00 C ATOM 991 O GLY A 66 6.439 -7.785 -8.678 1.00 0.00 O ATOM 0 H GLY A 66 7.187 -4.336 -10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.021 -6.644 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.644 -6.952 -10.354 1.00 0.00 H new ATOM 995 N ASP A 67 7.482 -6.088 -7.753 1.00 0.00 N ATOM 996 CA ASP A 67 6.961 -6.444 -6.404 1.00 0.00 C ATOM 997 C ASP A 67 5.571 -5.832 -6.214 1.00 0.00 C ATOM 998 O ASP A 67 5.329 -4.695 -6.569 1.00 0.00 O ATOM 999 CB ASP A 67 7.907 -5.900 -5.332 1.00 0.00 C ATOM 1000 CG ASP A 67 9.139 -6.801 -5.234 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.806 -6.972 -6.242 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.395 -7.307 -4.153 1.00 0.00 O ATOM 0 H ASP A 67 8.083 -5.264 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 67 6.895 -7.528 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.207 -4.882 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.397 -5.857 -4.370 1.00 0.00 H new ATOM 1007 N ALA A 68 4.656 -6.576 -5.656 1.00 0.00 N ATOM 1008 CA ALA A 68 3.283 -6.035 -5.443 1.00 0.00 C ATOM 1009 C ALA A 68 3.344 -4.872 -4.453 1.00 0.00 C ATOM 1010 O ALA A 68 4.322 -4.687 -3.755 1.00 0.00 O ATOM 1011 CB ALA A 68 2.383 -7.137 -4.881 1.00 0.00 C ATOM 0 H ALA A 68 4.799 -7.535 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 68 2.878 -5.684 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.379 -6.742 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.341 -7.967 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.787 -7.487 -3.931 1.00 0.00 H new ATOM 1017 N ILE A 69 2.308 -4.081 -4.386 1.00 0.00 N ATOM 1018 CA ILE A 69 2.310 -2.930 -3.440 1.00 0.00 C ATOM 1019 C ILE A 69 1.119 -3.049 -2.487 1.00 0.00 C ATOM 1020 O ILE A 69 1.280 -3.278 -1.304 1.00 0.00 O ATOM 1021 CB ILE A 69 2.203 -1.623 -4.227 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.369 -1.528 -5.215 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.258 -0.438 -3.261 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.687 -1.451 -4.443 1.00 0.00 C ATOM 0 H ILE A 69 1.461 -4.182 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 69 3.236 -2.935 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 69 1.259 -1.603 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.372 -2.396 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.253 -0.647 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.182 0.493 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.430 -0.505 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.202 -0.457 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.517 -1.383 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.682 -0.570 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.803 -2.345 -3.830 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.075 -2.895 -2.990 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.273 -2.998 -2.109 1.00 0.00 C ATOM 1038 C ILE A 70 -2.375 -3.773 -2.835 1.00 0.00 C ATOM 1039 O ILE A 70 -2.208 -4.201 -3.959 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.777 -1.596 -1.768 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.350 -0.940 -3.027 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.618 -0.750 -1.238 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.877 -0.903 -2.933 1.00 0.00 C ATOM 0 H ILE A 70 -0.273 -2.702 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.005 -3.521 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.554 -1.666 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.957 0.071 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.043 -1.497 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.978 0.250 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.208 -1.216 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.159 -0.680 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.285 -0.436 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.261 -1.919 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.174 -0.327 -2.056 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.500 -3.958 -2.200 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.611 -4.705 -2.852 1.00 0.00 C ATOM 1057 C GLU A 71 -5.924 -3.945 -2.648 1.00 0.00 C ATOM 1058 O GLU A 71 -6.283 -3.595 -1.541 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.725 -6.097 -2.227 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.685 -6.952 -3.056 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.633 -8.400 -2.565 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.550 -8.852 -2.230 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -6.676 -9.032 -2.534 1.00 0.00 O ATOM 0 H GLU A 71 -3.697 -3.623 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.408 -4.801 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.744 -6.570 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.085 -6.018 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.700 -6.564 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.413 -6.904 -4.110 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.642 -3.687 -3.706 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.930 -2.950 -3.570 1.00 0.00 C ATOM 1072 C LEU A 72 -9.096 -3.918 -3.780 1.00 0.00 C ATOM 1073 O LEU A 72 -9.192 -4.578 -4.795 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.996 -1.838 -4.620 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.325 -1.095 -4.493 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.105 0.215 -3.733 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.872 -0.789 -5.889 1.00 0.00 C ATOM 0 H LEU A 72 -6.393 -3.954 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.994 -2.513 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.166 -1.145 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.898 -2.261 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.039 -1.715 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.052 0.746 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.714 -0.002 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.392 0.835 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.820 -0.259 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.159 -0.168 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.027 -1.722 -6.431 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.983 -4.007 -2.827 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.142 -4.932 -2.973 1.00 0.00 C ATOM 1091 C GLU A 73 -12.446 -4.133 -2.883 1.00 0.00 C ATOM 1092 O GLU A 73 -12.975 -3.933 -1.807 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.105 -5.977 -1.856 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.156 -7.380 -2.465 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.295 -8.175 -1.823 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.325 -7.581 -1.552 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.116 -9.363 -1.613 1.00 0.00 O ATOM 0 H GLU A 73 -9.955 -3.480 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.088 -5.433 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.198 -5.859 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.948 -5.832 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.306 -7.315 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.207 -7.892 -2.306 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.924 -3.701 -4.021 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.167 -2.916 -4.114 1.00 0.00 C ATOM 1106 C PRO A 74 -15.388 -3.833 -3.991 1.00 0.00 C ATOM 1107 O PRO A 74 -15.807 -4.456 -4.946 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.093 -2.290 -5.509 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.130 -3.177 -6.335 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.268 -3.954 -5.322 1.00 0.00 C ATOM 0 HA PRO A 74 -14.265 -2.172 -3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.080 -2.253 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.727 -1.265 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.687 -3.861 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.505 -2.567 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.242 -5.019 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.236 -3.602 -5.323 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.961 -3.919 -2.822 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.152 -4.795 -2.638 1.00 0.00 C ATOM 1120 C ALA A 75 -16.772 -6.244 -2.946 1.00 0.00 C ATOM 1121 O ALA A 75 -16.341 -6.565 -4.036 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.266 -4.347 -3.586 1.00 0.00 C ATOM 0 H ALA A 75 -15.656 -3.420 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.501 -4.722 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.138 -4.988 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.537 -3.314 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.918 -4.419 -4.616 1.00 0.00 H new ATOM 1128 N ALA A 76 -16.927 -7.124 -1.994 1.00 0.00 N ATOM 1129 CA ALA A 76 -16.575 -8.552 -2.233 1.00 0.00 C ATOM 1130 C ALA A 76 -17.846 -9.401 -2.208 1.00 0.00 C ATOM 1131 O ALA A 76 -18.301 -9.825 -1.163 1.00 0.00 O ATOM 1132 CB ALA A 76 -15.620 -9.030 -1.139 1.00 0.00 C ATOM 0 H ALA A 76 -17.282 -6.915 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.092 -8.650 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.362 -10.075 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.714 -8.424 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.103 -8.932 -0.167 1.00 0.00 H new ATOM 1138 N GLY A 77 -18.424 -9.655 -3.350 1.00 0.00 N ATOM 1139 CA GLY A 77 -19.666 -10.478 -3.391 1.00 0.00 C ATOM 1140 C GLY A 77 -19.336 -11.879 -3.907 1.00 0.00 C ATOM 1141 O GLY A 77 -19.715 -12.873 -3.321 1.00 0.00 O ATOM 0 H GLY A 77 -18.090 -9.328 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -20.106 -10.540 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -20.406 -10.006 -4.038 1.00 0.00 H new ATOM 1145 N ALA A 78 -18.630 -11.966 -5.002 1.00 0.00 N ATOM 1146 CA ALA A 78 -18.276 -13.303 -5.554 1.00 0.00 C ATOM 1147 C ALA A 78 -17.667 -14.168 -4.448 1.00 0.00 C ATOM 1148 O ALA A 78 -17.694 -15.381 -4.509 1.00 0.00 O ATOM 1149 CB ALA A 78 -17.261 -13.134 -6.687 1.00 0.00 C ATOM 0 H ALA A 78 -18.284 -11.169 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 78 -19.174 -13.786 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -17.001 -14.112 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -17.695 -12.519 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.363 -12.651 -6.302 1.00 0.00 H new ATOM 1155 N ARG A 79 -17.117 -13.553 -3.437 1.00 0.00 N ATOM 1156 CA ARG A 79 -16.507 -14.339 -2.328 1.00 0.00 C ATOM 1157 C ARG A 79 -16.525 -13.509 -1.044 1.00 0.00 C ATOM 1158 O ARG A 79 -16.637 -14.099 0.019 1.00 0.00 O ATOM 1159 CB ARG A 79 -15.062 -14.693 -2.689 1.00 0.00 C ATOM 1160 CG ARG A 79 -14.722 -16.077 -2.135 1.00 0.00 C ATOM 1161 CD ARG A 79 -13.249 -16.388 -2.404 1.00 0.00 C ATOM 1162 NE ARG A 79 -13.058 -17.863 -2.491 1.00 0.00 N ATOM 1163 CZ ARG A 79 -12.127 -18.357 -3.259 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -10.892 -17.956 -3.128 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -12.429 -19.253 -4.159 1.00 0.00 N ATOM 0 H ARG A 79 -17.064 -12.540 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.078 -15.255 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.933 -14.681 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.380 -13.948 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.922 -16.111 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.355 -16.832 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.931 -15.914 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.629 -15.977 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.656 -18.487 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.655 -17.256 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.164 -18.342 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.394 -19.567 -4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.700 -19.639 -4.759 1.00 0.00 H new TER 1179 ARG A 79