USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 576 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+ 135:sc= 0.0401 (180deg=0) 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= 0.00246 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.676 F(o=-3.2,f=-0.68) USER MOD Single : A 37 SER OG : rot -75:sc= 0.0053 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.056 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 148:sc= -0.813! 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= -1.76! 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 -11.534 -8.956 -7.962 1.00 0.00 N ATOM 2 CA SER A 1 -10.460 -8.035 -7.495 1.00 0.00 C ATOM 3 C SER A 1 -9.158 -8.355 -8.231 1.00 0.00 C ATOM 4 O SER A 1 -8.884 -9.491 -8.562 1.00 0.00 O ATOM 5 CB SER A 1 -10.253 -8.213 -5.991 1.00 0.00 C ATOM 6 OG SER A 1 -9.459 -9.370 -5.761 1.00 0.00 O ATOM 0 H1 SER A 1 -12.063 -9.316 -7.142 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.182 -8.442 -8.593 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.108 -9.753 -8.477 1.00 0.00 H new ATOM 0 HA SER A 1 -10.750 -7.005 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.764 -7.333 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.215 -8.312 -5.489 1.00 0.00 H new ATOM 0 HG SER A 1 -9.322 -9.487 -4.798 1.00 0.00 H new ATOM 14 N GLU A 2 -8.352 -7.362 -8.490 1.00 0.00 N ATOM 15 CA GLU A 2 -7.068 -7.612 -9.205 1.00 0.00 C ATOM 16 C GLU A 2 -5.912 -7.022 -8.395 1.00 0.00 C ATOM 17 O GLU A 2 -6.058 -6.019 -7.724 1.00 0.00 O ATOM 18 CB GLU A 2 -7.115 -6.951 -10.584 1.00 0.00 C ATOM 19 CG GLU A 2 -8.232 -7.583 -11.416 1.00 0.00 C ATOM 20 CD GLU A 2 -7.666 -8.754 -12.223 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.523 -8.664 -12.638 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.387 -9.719 -12.412 1.00 0.00 O ATOM 0 H GLU A 2 -8.527 -6.389 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.919 -8.685 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.287 -5.880 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.157 -7.073 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.034 -7.930 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.665 -6.841 -12.087 1.00 0.00 H new ATOM 29 N ILE A 3 -4.762 -7.635 -8.453 1.00 0.00 N ATOM 30 CA ILE A 3 -3.596 -7.108 -7.688 1.00 0.00 C ATOM 31 C ILE A 3 -2.893 -6.028 -8.510 1.00 0.00 C ATOM 32 O ILE A 3 -3.086 -5.919 -9.705 1.00 0.00 O ATOM 33 CB ILE A 3 -2.618 -8.248 -7.400 1.00 0.00 C ATOM 34 CG1 ILE A 3 -3.333 -9.344 -6.605 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.439 -7.714 -6.584 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.637 -10.527 -7.528 1.00 0.00 C ATOM 0 H ILE A 3 -4.579 -8.478 -8.997 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.942 -6.680 -6.747 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.252 -8.660 -8.341 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.710 -9.669 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.257 -8.955 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.741 -8.526 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.930 -6.933 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.804 -7.302 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.146 -11.308 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.277 -10.195 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.705 -10.921 -7.933 1.00 0.00 H new ATOM 48 N ILE A 4 -2.078 -5.227 -7.880 1.00 0.00 N ATOM 49 CA ILE A 4 -1.362 -4.154 -8.626 1.00 0.00 C ATOM 50 C ILE A 4 0.137 -4.246 -8.337 1.00 0.00 C ATOM 51 O ILE A 4 0.600 -3.865 -7.281 1.00 0.00 O ATOM 52 CB ILE A 4 -1.886 -2.787 -8.181 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.336 -2.623 -8.641 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.027 -1.684 -8.801 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.275 -2.805 -7.447 1.00 0.00 C ATOM 0 H ILE A 4 -1.877 -5.269 -6.881 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.533 -4.277 -9.695 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.839 -2.716 -7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.479 -1.637 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.568 -3.355 -9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.401 -0.710 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.006 -1.800 -8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.074 -1.754 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.308 -2.688 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.139 -3.801 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.048 -2.056 -6.688 1.00 0.00 H new ATOM 67 N ARG A 5 0.902 -4.750 -9.267 1.00 0.00 N ATOM 68 CA ARG A 5 2.370 -4.866 -9.043 1.00 0.00 C ATOM 69 C ARG A 5 3.070 -3.621 -9.593 1.00 0.00 C ATOM 70 O ARG A 5 2.434 -2.666 -9.992 1.00 0.00 O ATOM 71 CB ARG A 5 2.900 -6.109 -9.761 1.00 0.00 C ATOM 72 CG ARG A 5 2.747 -5.931 -11.272 1.00 0.00 C ATOM 73 CD ARG A 5 3.605 -6.969 -11.998 1.00 0.00 C ATOM 74 NE ARG A 5 3.625 -8.234 -11.212 1.00 0.00 N ATOM 75 CZ ARG A 5 2.825 -9.213 -11.531 1.00 0.00 C ATOM 76 NH1 ARG A 5 3.038 -9.902 -12.619 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.811 -9.506 -10.763 1.00 0.00 N ATOM 0 H ARG A 5 0.573 -5.086 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 5 2.568 -4.952 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.948 -6.269 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.354 -6.993 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.701 -6.044 -11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.050 -4.925 -11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.205 -7.154 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.620 -6.592 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 5 4.265 -8.335 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.830 -9.675 -13.220 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.412 -10.668 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.644 -8.969 -9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.186 -10.272 -11.014 1.00 0.00 H new ATOM 91 N VAL A 6 4.374 -3.624 -9.616 1.00 0.00 N ATOM 92 CA VAL A 6 5.112 -2.441 -10.137 1.00 0.00 C ATOM 93 C VAL A 6 4.994 -2.400 -11.667 1.00 0.00 C ATOM 94 O VAL A 6 5.123 -3.417 -12.320 1.00 0.00 O ATOM 95 CB VAL A 6 6.587 -2.547 -9.741 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.405 -1.523 -10.530 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.731 -2.269 -8.243 1.00 0.00 C ATOM 0 H VAL A 6 4.960 -4.395 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 6 4.687 -1.530 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 6 6.952 -3.550 -9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.455 -1.600 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.302 -1.719 -11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.042 -0.519 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.780 -2.344 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.366 -1.266 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.149 -2.999 -7.680 1.00 0.00 H new ATOM 107 N PRO A 7 4.751 -1.225 -12.194 1.00 0.00 N ATOM 108 CA PRO A 7 4.611 -1.023 -13.647 1.00 0.00 C ATOM 109 C PRO A 7 5.988 -0.977 -14.314 1.00 0.00 C ATOM 110 O PRO A 7 7.006 -1.153 -13.674 1.00 0.00 O ATOM 111 CB PRO A 7 3.909 0.332 -13.755 1.00 0.00 C ATOM 112 CG PRO A 7 4.197 1.079 -12.430 1.00 0.00 C ATOM 113 CD PRO A 7 4.592 0.008 -11.397 1.00 0.00 C ATOM 0 HA PRO A 7 4.060 -1.824 -14.140 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.284 0.897 -14.609 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.837 0.203 -13.903 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.999 1.805 -12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.318 1.632 -12.098 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.517 0.272 -10.884 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.825 -0.109 -10.632 1.00 0.00 H new ATOM 121 N ASP A 8 6.029 -0.735 -15.596 1.00 0.00 N ATOM 122 CA ASP A 8 7.341 -0.675 -16.301 1.00 0.00 C ATOM 123 C ASP A 8 7.924 0.734 -16.167 1.00 0.00 C ATOM 124 O ASP A 8 7.528 1.649 -16.862 1.00 0.00 O ATOM 125 CB ASP A 8 7.142 -1.006 -17.781 1.00 0.00 C ATOM 126 CG ASP A 8 8.497 -1.013 -18.489 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.464 -1.429 -17.871 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.546 -0.601 -19.637 1.00 0.00 O ATOM 0 H ASP A 8 5.212 -0.576 -16.185 1.00 0.00 H new ATOM 0 HA ASP A 8 8.026 -1.398 -15.858 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.660 -1.978 -17.886 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.482 -0.272 -18.243 1.00 0.00 H new ATOM 133 N ILE A 9 8.861 0.916 -15.278 1.00 0.00 N ATOM 134 CA ILE A 9 9.467 2.269 -15.100 1.00 0.00 C ATOM 135 C ILE A 9 10.838 2.301 -15.778 1.00 0.00 C ATOM 136 O ILE A 9 11.167 3.229 -16.490 1.00 0.00 O ATOM 137 CB ILE A 9 9.633 2.592 -13.607 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.166 1.413 -12.746 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.799 3.827 -13.260 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.320 1.766 -11.265 1.00 0.00 C ATOM 0 H ILE A 9 9.234 0.189 -14.667 1.00 0.00 H new ATOM 0 HA ILE A 9 8.809 3.012 -15.550 1.00 0.00 H new ATOM 0 HB ILE A 9 10.687 2.782 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.125 1.178 -12.968 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.751 0.524 -12.981 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.915 4.059 -12.201 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.138 4.674 -13.856 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.749 3.629 -13.475 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.987 0.927 -10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.367 1.980 -11.049 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.716 2.644 -11.035 1.00 0.00 H new ATOM 152 N GLY A 10 11.641 1.295 -15.564 1.00 0.00 N ATOM 153 CA GLY A 10 12.990 1.270 -16.198 1.00 0.00 C ATOM 154 C GLY A 10 14.063 1.474 -15.128 1.00 0.00 C ATOM 155 O GLY A 10 15.202 1.776 -15.426 1.00 0.00 O ATOM 0 H GLY A 10 11.422 0.490 -14.978 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.146 0.319 -16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.062 2.052 -16.954 1.00 0.00 H new ATOM 159 N GLY A 11 13.710 1.310 -13.882 1.00 0.00 N ATOM 160 CA GLY A 11 14.713 1.494 -12.794 1.00 0.00 C ATOM 161 C GLY A 11 14.118 1.024 -11.466 1.00 0.00 C ATOM 162 O GLY A 11 13.173 0.261 -11.432 1.00 0.00 O ATOM 0 H GLY A 11 12.772 1.057 -13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.617 0.929 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.001 2.543 -12.724 1.00 0.00 H new ATOM 166 N ASP A 12 14.664 1.474 -10.369 1.00 0.00 N ATOM 167 CA ASP A 12 14.129 1.052 -9.044 1.00 0.00 C ATOM 168 C ASP A 12 13.313 2.194 -8.435 1.00 0.00 C ATOM 169 O ASP A 12 13.818 3.274 -8.199 1.00 0.00 O ATOM 170 CB ASP A 12 15.292 0.704 -8.112 1.00 0.00 C ATOM 171 CG ASP A 12 16.180 -0.350 -8.774 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.918 -0.683 -9.918 1.00 0.00 O ATOM 173 OD2 ASP A 12 17.107 -0.807 -8.126 1.00 0.00 O ATOM 0 H ASP A 12 15.457 2.115 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 12 13.491 0.178 -9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.875 1.598 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.911 0.329 -7.162 1.00 0.00 H new ATOM 178 N GLY A 13 12.054 1.965 -8.180 1.00 0.00 N ATOM 179 CA GLY A 13 11.207 3.039 -7.589 1.00 0.00 C ATOM 180 C GLY A 13 11.318 2.996 -6.064 1.00 0.00 C ATOM 181 O GLY A 13 11.556 1.960 -5.478 1.00 0.00 O ATOM 0 H GLY A 13 11.576 1.081 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.525 4.013 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.169 2.906 -7.892 1.00 0.00 H new ATOM 185 N GLU A 14 11.147 4.117 -5.416 1.00 0.00 N ATOM 186 CA GLU A 14 11.244 4.139 -3.929 1.00 0.00 C ATOM 187 C GLU A 14 10.039 4.884 -3.351 1.00 0.00 C ATOM 188 O GLU A 14 9.822 6.045 -3.632 1.00 0.00 O ATOM 189 CB GLU A 14 12.532 4.851 -3.513 1.00 0.00 C ATOM 190 CG GLU A 14 13.658 3.825 -3.361 1.00 0.00 C ATOM 191 CD GLU A 14 14.100 3.346 -4.745 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.085 4.150 -5.662 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.447 2.182 -4.863 1.00 0.00 O ATOM 0 H GLU A 14 10.945 5.017 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 14 11.255 3.117 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.804 5.597 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.379 5.381 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.501 4.270 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.316 2.980 -2.764 1.00 0.00 H new ATOM 200 N VAL A 15 9.253 4.224 -2.545 1.00 0.00 N ATOM 201 CA VAL A 15 8.063 4.895 -1.950 1.00 0.00 C ATOM 202 C VAL A 15 8.523 6.015 -1.014 1.00 0.00 C ATOM 203 O VAL A 15 9.422 5.839 -0.216 1.00 0.00 O ATOM 204 CB VAL A 15 7.245 3.873 -1.159 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.960 4.530 -0.652 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.890 2.694 -2.066 1.00 0.00 C ATOM 0 H VAL A 15 9.383 3.250 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 15 7.448 5.316 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 15 7.830 3.517 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.377 3.802 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.212 5.371 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.374 4.886 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.307 1.965 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.305 3.050 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.805 2.225 -2.428 1.00 0.00 H new ATOM 216 N ILE A 16 7.914 7.165 -1.105 1.00 0.00 N ATOM 217 CA ILE A 16 8.317 8.294 -0.221 1.00 0.00 C ATOM 218 C ILE A 16 7.158 8.647 0.715 1.00 0.00 C ATOM 219 O ILE A 16 7.315 8.709 1.918 1.00 0.00 O ATOM 220 CB ILE A 16 8.671 9.511 -1.076 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.997 9.257 -1.796 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.807 10.743 -0.180 1.00 0.00 C ATOM 223 CD1 ILE A 16 11.082 8.929 -0.769 1.00 0.00 C ATOM 0 H ILE A 16 7.154 7.371 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 16 9.185 8.001 0.369 1.00 0.00 H new ATOM 0 HB ILE A 16 7.883 9.681 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.888 8.433 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.283 10.136 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.059 11.610 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.864 10.924 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.595 10.574 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.026 8.748 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.197 9.767 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.796 8.038 -0.210 1.00 0.00 H new ATOM 235 N GLU A 17 5.995 8.880 0.171 1.00 0.00 N ATOM 236 CA GLU A 17 4.828 9.230 1.029 1.00 0.00 C ATOM 237 C GLU A 17 3.644 8.329 0.673 1.00 0.00 C ATOM 238 O GLU A 17 3.215 8.273 -0.463 1.00 0.00 O ATOM 239 CB GLU A 17 4.444 10.693 0.797 1.00 0.00 C ATOM 240 CG GLU A 17 4.266 11.394 2.145 1.00 0.00 C ATOM 241 CD GLU A 17 2.869 11.099 2.694 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.950 11.002 1.898 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.743 10.974 3.901 1.00 0.00 O ATOM 0 H GLU A 17 5.803 8.843 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 17 5.092 9.086 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.216 11.195 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.521 10.751 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.025 11.050 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.403 12.469 2.029 1.00 0.00 H new ATOM 250 N LEU A 18 3.113 7.623 1.633 1.00 0.00 N ATOM 251 CA LEU A 18 1.956 6.727 1.346 1.00 0.00 C ATOM 252 C LEU A 18 0.659 7.417 1.772 1.00 0.00 C ATOM 253 O LEU A 18 0.438 7.678 2.938 1.00 0.00 O ATOM 254 CB LEU A 18 2.120 5.420 2.126 1.00 0.00 C ATOM 255 CG LEU A 18 1.145 4.376 1.580 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.800 3.620 0.422 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.783 3.388 2.692 1.00 0.00 C ATOM 0 H LEU A 18 3.429 7.627 2.603 1.00 0.00 H new ATOM 0 HA LEU A 18 1.918 6.511 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.144 5.058 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.932 5.590 3.186 1.00 0.00 H new ATOM 0 HG LEU A 18 0.242 4.873 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.104 2.876 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.060 4.322 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.703 3.122 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.088 2.643 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.687 2.892 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.316 3.925 3.518 1.00 0.00 H new ATOM 269 N LEU A 19 -0.200 7.714 0.836 1.00 0.00 N ATOM 270 CA LEU A 19 -1.482 8.387 1.189 1.00 0.00 C ATOM 271 C LEU A 19 -2.650 7.439 0.909 1.00 0.00 C ATOM 272 O LEU A 19 -3.552 7.754 0.159 1.00 0.00 O ATOM 273 CB LEU A 19 -1.641 9.655 0.347 1.00 0.00 C ATOM 274 CG LEU A 19 -1.706 9.279 -1.134 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.019 9.787 -1.732 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.529 9.918 -1.873 1.00 0.00 C ATOM 0 H LEU A 19 -0.070 7.520 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.474 8.651 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.547 10.187 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.804 10.330 0.525 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.655 8.195 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.066 9.519 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.858 9.333 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.070 10.871 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.574 9.651 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.580 11.002 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.407 9.557 -1.447 1.00 0.00 H new ATOM 288 N VAL A 20 -2.640 6.278 1.507 1.00 0.00 N ATOM 289 CA VAL A 20 -3.750 5.311 1.274 1.00 0.00 C ATOM 290 C VAL A 20 -4.116 4.629 2.593 1.00 0.00 C ATOM 291 O VAL A 20 -3.330 4.583 3.520 1.00 0.00 O ATOM 292 CB VAL A 20 -3.303 4.257 0.261 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.053 4.923 -1.093 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.012 3.596 0.749 1.00 0.00 C ATOM 0 H VAL A 20 -1.912 5.958 2.146 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.620 5.841 0.886 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.082 3.502 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.734 4.171 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.972 5.394 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.274 5.679 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.693 2.844 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.234 4.352 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.189 3.120 1.714 1.00 0.00 H new ATOM 304 N LYS A 21 -5.304 4.095 2.687 1.00 0.00 N ATOM 305 CA LYS A 21 -5.718 3.416 3.946 1.00 0.00 C ATOM 306 C LYS A 21 -6.449 2.115 3.607 1.00 0.00 C ATOM 307 O LYS A 21 -6.895 1.914 2.495 1.00 0.00 O ATOM 308 CB LYS A 21 -6.652 4.334 4.739 1.00 0.00 C ATOM 309 CG LYS A 21 -6.161 4.436 6.184 1.00 0.00 C ATOM 310 CD LYS A 21 -6.521 5.811 6.750 1.00 0.00 C ATOM 311 CE LYS A 21 -5.370 6.325 7.617 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.874 6.621 8.987 1.00 0.00 N ATOM 0 H LYS A 21 -6.005 4.100 1.946 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.835 3.192 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.680 5.323 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.669 3.943 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.615 3.652 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.082 4.286 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.718 6.510 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.434 5.745 7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.575 5.581 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.940 7.223 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.092 6.970 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.618 7.346 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.264 5.754 9.408 1.00 0.00 H new ATOM 326 N THR A 22 -6.575 1.230 4.557 1.00 0.00 N ATOM 327 CA THR A 22 -7.277 -0.057 4.288 1.00 0.00 C ATOM 328 C THR A 22 -8.785 0.136 4.467 1.00 0.00 C ATOM 329 O THR A 22 -9.244 0.588 5.497 1.00 0.00 O ATOM 330 CB THR A 22 -6.780 -1.124 5.266 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.443 -0.829 5.646 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.830 -2.497 4.596 1.00 0.00 C ATOM 0 H THR A 22 -6.222 1.342 5.508 1.00 0.00 H new ATOM 0 HA THR A 22 -7.070 -0.376 3.266 1.00 0.00 H new ATOM 0 HB THR A 22 -7.417 -1.131 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.123 -1.510 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.476 -3.256 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.856 -2.723 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.194 -2.493 3.711 1.00 0.00 H new ATOM 340 N GLY A 23 -9.558 -0.203 3.472 1.00 0.00 N ATOM 341 CA GLY A 23 -11.034 -0.038 3.587 1.00 0.00 C ATOM 342 C GLY A 23 -11.454 1.290 2.952 1.00 0.00 C ATOM 343 O GLY A 23 -12.625 1.566 2.783 1.00 0.00 O ATOM 0 H GLY A 23 -9.231 -0.587 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.542 -0.866 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.332 -0.062 4.635 1.00 0.00 H new ATOM 347 N ASP A 24 -10.506 2.114 2.598 1.00 0.00 N ATOM 348 CA ASP A 24 -10.852 3.423 1.975 1.00 0.00 C ATOM 349 C ASP A 24 -11.205 3.210 0.502 1.00 0.00 C ATOM 350 O ASP A 24 -10.497 2.543 -0.226 1.00 0.00 O ATOM 351 CB ASP A 24 -9.655 4.371 2.081 1.00 0.00 C ATOM 352 CG ASP A 24 -9.653 5.040 3.456 1.00 0.00 C ATOM 353 OD1 ASP A 24 -10.375 4.572 4.322 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.930 6.009 3.620 1.00 0.00 O ATOM 0 H ASP A 24 -9.508 1.938 2.713 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.707 3.857 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.727 3.819 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.706 5.127 1.297 1.00 0.00 H new ATOM 359 N LEU A 25 -12.296 3.771 0.057 1.00 0.00 N ATOM 360 CA LEU A 25 -12.693 3.600 -1.370 1.00 0.00 C ATOM 361 C LEU A 25 -11.986 4.653 -2.225 1.00 0.00 C ATOM 362 O LEU A 25 -12.211 5.838 -2.079 1.00 0.00 O ATOM 363 CB LEU A 25 -14.209 3.770 -1.500 1.00 0.00 C ATOM 364 CG LEU A 25 -14.743 2.798 -2.554 1.00 0.00 C ATOM 365 CD1 LEU A 25 -13.918 2.930 -3.835 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.637 1.365 -2.025 1.00 0.00 C ATOM 0 H LEU A 25 -12.929 4.340 0.619 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.408 2.605 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.690 3.583 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.448 4.796 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.786 3.031 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.299 2.237 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.992 3.950 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.875 2.697 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.017 0.671 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.594 1.132 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.225 1.270 -1.112 1.00 0.00 H new ATOM 378 N ILE A 26 -11.132 4.230 -3.116 1.00 0.00 N ATOM 379 CA ILE A 26 -10.410 5.203 -3.979 1.00 0.00 C ATOM 380 C ILE A 26 -11.202 5.414 -5.272 1.00 0.00 C ATOM 381 O ILE A 26 -12.320 4.956 -5.407 1.00 0.00 O ATOM 382 CB ILE A 26 -9.026 4.642 -4.308 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.494 3.861 -3.104 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.067 5.790 -4.630 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.055 3.419 -3.377 1.00 0.00 C ATOM 0 H ILE A 26 -10.904 3.250 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.305 6.156 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.102 3.980 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.531 4.482 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.123 2.991 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.082 5.386 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.443 6.349 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.992 6.454 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.676 2.863 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.032 2.782 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.430 4.296 -3.545 1.00 0.00 H new ATOM 397 N GLU A 27 -10.635 6.104 -6.223 1.00 0.00 N ATOM 398 CA GLU A 27 -11.359 6.342 -7.503 1.00 0.00 C ATOM 399 C GLU A 27 -10.355 6.373 -8.657 1.00 0.00 C ATOM 400 O GLU A 27 -9.157 6.355 -8.452 1.00 0.00 O ATOM 401 CB GLU A 27 -12.094 7.682 -7.431 1.00 0.00 C ATOM 402 CG GLU A 27 -11.099 8.794 -7.094 1.00 0.00 C ATOM 403 CD GLU A 27 -11.851 10.111 -6.899 1.00 0.00 C ATOM 404 OE1 GLU A 27 -13.037 10.142 -7.188 1.00 0.00 O ATOM 405 OE2 GLU A 27 -11.229 11.067 -6.465 1.00 0.00 O ATOM 0 H GLU A 27 -9.702 6.513 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.079 5.541 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.582 7.893 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.877 7.639 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.547 8.541 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.367 8.896 -7.895 1.00 0.00 H new ATOM 412 N VAL A 28 -10.833 6.419 -9.871 1.00 0.00 N ATOM 413 CA VAL A 28 -9.906 6.449 -11.036 1.00 0.00 C ATOM 414 C VAL A 28 -9.401 7.879 -11.246 1.00 0.00 C ATOM 415 O VAL A 28 -9.815 8.565 -12.159 1.00 0.00 O ATOM 416 CB VAL A 28 -10.645 5.981 -12.290 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.805 6.935 -12.585 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.680 5.971 -13.477 1.00 0.00 C ATOM 0 H VAL A 28 -11.826 6.437 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.061 5.787 -10.845 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.033 4.975 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.332 6.602 -13.479 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.493 6.943 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.417 7.941 -12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.207 5.637 -14.371 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.292 6.977 -13.639 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.853 5.292 -13.268 1.00 0.00 H new ATOM 428 N GLU A 29 -8.504 8.330 -10.410 1.00 0.00 N ATOM 429 CA GLU A 29 -7.967 9.709 -10.558 1.00 0.00 C ATOM 430 C GLU A 29 -7.180 10.083 -9.300 1.00 0.00 C ATOM 431 O GLU A 29 -6.143 10.712 -9.369 1.00 0.00 O ATOM 432 CB GLU A 29 -9.124 10.696 -10.752 1.00 0.00 C ATOM 433 CG GLU A 29 -8.619 12.128 -10.555 1.00 0.00 C ATOM 434 CD GLU A 29 -9.295 12.743 -9.328 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.496 12.576 -9.192 1.00 0.00 O ATOM 436 OE2 GLU A 29 -8.600 13.372 -8.547 1.00 0.00 O ATOM 0 H GLU A 29 -8.120 7.798 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.310 9.752 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.547 10.583 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.922 10.480 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.537 12.129 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.835 12.726 -11.440 1.00 0.00 H new ATOM 443 N GLN A 30 -7.664 9.698 -8.150 1.00 0.00 N ATOM 444 CA GLN A 30 -6.942 10.031 -6.890 1.00 0.00 C ATOM 445 C GLN A 30 -5.565 9.364 -6.902 1.00 0.00 C ATOM 446 O GLN A 30 -5.397 8.272 -7.406 1.00 0.00 O ATOM 447 CB GLN A 30 -7.746 9.520 -5.692 1.00 0.00 C ATOM 448 CG GLN A 30 -7.861 10.628 -4.644 1.00 0.00 C ATOM 449 CD GLN A 30 -6.476 10.942 -4.077 1.00 0.00 C ATOM 450 OE1 GLN A 30 -5.713 9.963 -3.673 1.00 0.00 O flip ATOM 451 NE2 GLN A 30 -6.084 12.089 -3.998 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.527 9.168 -8.029 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.822 11.112 -6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.739 9.205 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.259 8.646 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.293 11.523 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.531 10.317 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.680 12.854 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.159 12.287 -3.616 1.00 0.00 H new ATOM 460 N GLY A 31 -4.576 10.014 -6.350 1.00 0.00 N ATOM 461 CA GLY A 31 -3.210 9.416 -6.331 1.00 0.00 C ATOM 462 C GLY A 31 -3.172 8.260 -5.331 1.00 0.00 C ATOM 463 O GLY A 31 -4.042 8.118 -4.496 1.00 0.00 O ATOM 0 H GLY A 31 -4.655 10.932 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.944 9.059 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.474 10.172 -6.057 1.00 0.00 H new ATOM 467 N LEU A 32 -2.166 7.431 -5.408 1.00 0.00 N ATOM 468 CA LEU A 32 -2.071 6.284 -4.461 1.00 0.00 C ATOM 469 C LEU A 32 -0.724 6.333 -3.737 1.00 0.00 C ATOM 470 O LEU A 32 -0.631 6.043 -2.561 1.00 0.00 O ATOM 471 CB LEU A 32 -2.188 4.970 -5.236 1.00 0.00 C ATOM 472 CG LEU A 32 -2.956 3.949 -4.395 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.456 4.228 -4.498 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.665 2.539 -4.916 1.00 0.00 C ATOM 0 H LEU A 32 -1.406 7.499 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.878 6.346 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.702 5.138 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.196 4.587 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.642 4.026 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.003 3.500 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.665 5.232 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.770 4.150 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.212 1.810 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.980 2.463 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.596 2.338 -4.845 1.00 0.00 H new ATOM 486 N VAL A 33 0.321 6.700 -4.429 1.00 0.00 N ATOM 487 CA VAL A 33 1.659 6.766 -3.777 1.00 0.00 C ATOM 488 C VAL A 33 2.568 7.708 -4.570 1.00 0.00 C ATOM 489 O VAL A 33 2.262 8.092 -5.682 1.00 0.00 O ATOM 490 CB VAL A 33 2.282 5.370 -3.740 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.284 4.379 -3.138 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.636 4.934 -5.165 1.00 0.00 C ATOM 0 H VAL A 33 0.305 6.956 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 33 1.546 7.139 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 33 3.184 5.391 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.729 3.384 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.030 4.689 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.381 4.356 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.080 3.939 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.732 4.913 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.348 5.639 -5.595 1.00 0.00 H new ATOM 502 N VAL A 34 3.685 8.082 -4.008 1.00 0.00 N ATOM 503 CA VAL A 34 4.613 8.997 -4.731 1.00 0.00 C ATOM 504 C VAL A 34 6.034 8.435 -4.669 1.00 0.00 C ATOM 505 O VAL A 34 6.693 8.500 -3.650 1.00 0.00 O ATOM 506 CB VAL A 34 4.582 10.379 -4.075 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.602 11.291 -4.758 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.182 10.981 -4.222 1.00 0.00 C ATOM 0 H VAL A 34 3.995 7.794 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 34 4.301 9.082 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 34 4.829 10.285 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.580 12.276 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.599 10.863 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.355 11.386 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.158 11.966 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.936 11.075 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.454 10.332 -3.736 1.00 0.00 H new ATOM 518 N LEU A 35 6.512 7.884 -5.750 1.00 0.00 N ATOM 519 CA LEU A 35 7.890 7.319 -5.752 1.00 0.00 C ATOM 520 C LEU A 35 8.883 8.402 -6.178 1.00 0.00 C ATOM 521 O LEU A 35 8.562 9.280 -6.954 1.00 0.00 O ATOM 522 CB LEU A 35 7.961 6.147 -6.733 1.00 0.00 C ATOM 523 CG LEU A 35 7.424 4.883 -6.060 1.00 0.00 C ATOM 524 CD1 LEU A 35 6.011 5.143 -5.539 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.390 3.740 -7.078 1.00 0.00 C ATOM 0 H LEU A 35 6.007 7.801 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 35 8.141 6.969 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.378 6.371 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.991 5.991 -7.055 1.00 0.00 H new ATOM 0 HG LEU A 35 8.073 4.611 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.629 4.242 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.034 5.957 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.361 5.415 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.007 2.838 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.741 4.013 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.398 3.554 -7.450 1.00 0.00 H new ATOM 537 N GLU A 36 10.087 8.349 -5.676 1.00 0.00 N ATOM 538 CA GLU A 36 11.096 9.378 -6.054 1.00 0.00 C ATOM 539 C GLU A 36 12.452 8.707 -6.278 1.00 0.00 C ATOM 540 O GLU A 36 13.031 8.137 -5.375 1.00 0.00 O ATOM 541 CB GLU A 36 11.218 10.409 -4.930 1.00 0.00 C ATOM 542 CG GLU A 36 11.370 11.806 -5.533 1.00 0.00 C ATOM 543 CD GLU A 36 11.714 12.806 -4.428 1.00 0.00 C ATOM 544 OE1 GLU A 36 12.272 12.384 -3.428 1.00 0.00 O ATOM 545 OE2 GLU A 36 11.413 13.976 -4.599 1.00 0.00 O ATOM 0 H GLU A 36 10.415 7.639 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 36 10.781 9.875 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.336 10.371 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.078 10.177 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.153 11.803 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.446 12.101 -6.030 1.00 0.00 H new ATOM 552 N SER A 37 12.963 8.769 -7.478 1.00 0.00 N ATOM 553 CA SER A 37 14.282 8.135 -7.759 1.00 0.00 C ATOM 554 C SER A 37 15.374 9.207 -7.754 1.00 0.00 C ATOM 555 O SER A 37 15.122 10.361 -7.469 1.00 0.00 O ATOM 556 CB SER A 37 14.240 7.457 -9.128 1.00 0.00 C ATOM 557 OG SER A 37 13.642 6.174 -8.999 1.00 0.00 O ATOM 0 H SER A 37 12.524 9.231 -8.275 1.00 0.00 H new ATOM 0 HA SER A 37 14.499 7.392 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.672 8.066 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 15.248 7.362 -9.531 1.00 0.00 H new ATOM 0 HG SER A 37 14.278 5.558 -8.579 1.00 0.00 H new ATOM 563 N ALA A 38 16.584 8.837 -8.068 1.00 0.00 N ATOM 564 CA ALA A 38 17.689 9.838 -8.081 1.00 0.00 C ATOM 565 C ALA A 38 17.231 11.092 -8.827 1.00 0.00 C ATOM 566 O ALA A 38 17.491 12.204 -8.408 1.00 0.00 O ATOM 567 CB ALA A 38 18.908 9.242 -8.786 1.00 0.00 C ATOM 0 H ALA A 38 16.856 7.886 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 38 17.954 10.101 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.716 9.973 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.234 8.348 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.644 8.980 -9.810 1.00 0.00 H new ATOM 573 N LYS A 39 16.551 10.925 -9.927 1.00 0.00 N ATOM 574 CA LYS A 39 16.078 12.109 -10.698 1.00 0.00 C ATOM 575 C LYS A 39 14.844 11.724 -11.517 1.00 0.00 C ATOM 576 O LYS A 39 14.823 11.857 -12.725 1.00 0.00 O ATOM 577 CB LYS A 39 17.188 12.584 -11.639 1.00 0.00 C ATOM 578 CG LYS A 39 17.160 14.110 -11.733 1.00 0.00 C ATOM 579 CD LYS A 39 18.572 14.630 -12.012 1.00 0.00 C ATOM 580 CE LYS A 39 18.640 16.123 -11.684 1.00 0.00 C ATOM 581 NZ LYS A 39 20.041 16.604 -11.851 1.00 0.00 N ATOM 0 H LYS A 39 16.302 10.020 -10.326 1.00 0.00 H new ATOM 0 HA LYS A 39 15.820 12.912 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.158 12.250 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.053 12.146 -12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.482 14.424 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.781 14.535 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.298 14.082 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.832 14.464 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.972 16.681 -12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.303 16.298 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.089 17.619 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.667 16.079 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.346 16.451 -12.833 1.00 0.00 H new ATOM 595 N ALA A 40 13.815 11.248 -10.871 1.00 0.00 N ATOM 596 CA ALA A 40 12.585 10.855 -11.613 1.00 0.00 C ATOM 597 C ALA A 40 11.443 10.622 -10.622 1.00 0.00 C ATOM 598 O ALA A 40 11.322 9.564 -10.039 1.00 0.00 O ATOM 599 CB ALA A 40 12.851 9.569 -12.397 1.00 0.00 C ATOM 0 H ALA A 40 13.773 11.114 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 40 12.308 11.651 -12.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.951 9.281 -12.940 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.664 9.735 -13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.128 8.773 -11.706 1.00 0.00 H new ATOM 605 N SER A 41 10.605 11.602 -10.427 1.00 0.00 N ATOM 606 CA SER A 41 9.473 11.436 -9.472 1.00 0.00 C ATOM 607 C SER A 41 8.194 11.116 -10.249 1.00 0.00 C ATOM 608 O SER A 41 7.758 11.882 -11.086 1.00 0.00 O ATOM 609 CB SER A 41 9.278 12.729 -8.681 1.00 0.00 C ATOM 610 OG SER A 41 10.545 13.216 -8.257 1.00 0.00 O ATOM 0 H SER A 41 10.655 12.511 -10.887 1.00 0.00 H new ATOM 0 HA SER A 41 9.695 10.620 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.777 13.475 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.638 12.548 -7.818 1.00 0.00 H new ATOM 0 HG SER A 41 10.424 14.046 -7.751 1.00 0.00 H new ATOM 616 N MET A 42 7.590 9.992 -9.980 1.00 0.00 N ATOM 617 CA MET A 42 6.340 9.625 -10.704 1.00 0.00 C ATOM 618 C MET A 42 5.256 9.249 -9.693 1.00 0.00 C ATOM 619 O MET A 42 5.494 8.510 -8.758 1.00 0.00 O ATOM 620 CB MET A 42 6.614 8.434 -11.625 1.00 0.00 C ATOM 621 CG MET A 42 7.656 8.828 -12.674 1.00 0.00 C ATOM 622 SD MET A 42 7.348 7.911 -14.204 1.00 0.00 S ATOM 623 CE MET A 42 6.102 9.028 -14.891 1.00 0.00 C ATOM 0 H MET A 42 7.908 9.311 -9.290 1.00 0.00 H new ATOM 0 HA MET A 42 6.003 10.474 -11.299 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.972 7.585 -11.042 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.692 8.119 -12.114 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.609 9.900 -12.864 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.659 8.614 -12.304 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.765 8.648 -15.855 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.254 9.091 -14.209 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.535 10.019 -15.023 1.00 0.00 H new ATOM 633 N GLU A 43 4.064 9.751 -9.872 1.00 0.00 N ATOM 634 CA GLU A 43 2.966 9.422 -8.921 1.00 0.00 C ATOM 635 C GLU A 43 2.208 8.192 -9.426 1.00 0.00 C ATOM 636 O GLU A 43 2.308 7.819 -10.577 1.00 0.00 O ATOM 637 CB GLU A 43 2.005 10.608 -8.820 1.00 0.00 C ATOM 638 CG GLU A 43 1.304 10.584 -7.460 1.00 0.00 C ATOM 639 CD GLU A 43 0.516 11.881 -7.270 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.376 12.614 -8.236 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.063 12.119 -6.163 1.00 0.00 O ATOM 0 H GLU A 43 3.804 10.375 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 43 3.387 9.212 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.551 11.543 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.268 10.561 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.634 9.727 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.038 10.472 -6.662 1.00 0.00 H new ATOM 648 N VAL A 44 1.451 7.557 -8.571 1.00 0.00 N ATOM 649 CA VAL A 44 0.690 6.352 -9.005 1.00 0.00 C ATOM 650 C VAL A 44 -0.661 6.317 -8.281 1.00 0.00 C ATOM 651 O VAL A 44 -0.738 5.899 -7.143 1.00 0.00 O ATOM 652 CB VAL A 44 1.486 5.094 -8.652 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.964 3.913 -9.471 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.965 5.322 -8.972 1.00 0.00 C ATOM 0 H VAL A 44 1.328 7.821 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 44 0.528 6.391 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 44 1.372 4.877 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.531 3.017 -9.219 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.090 3.751 -9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.078 4.128 -10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.534 4.427 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.078 5.538 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.338 6.164 -8.389 1.00 0.00 H new ATOM 664 N PRO A 45 -1.688 6.758 -8.963 1.00 0.00 N ATOM 665 CA PRO A 45 -3.052 6.789 -8.409 1.00 0.00 C ATOM 666 C PRO A 45 -3.670 5.390 -8.430 1.00 0.00 C ATOM 667 O PRO A 45 -2.998 4.405 -8.668 1.00 0.00 O ATOM 668 CB PRO A 45 -3.804 7.731 -9.354 1.00 0.00 C ATOM 669 CG PRO A 45 -3.016 7.733 -10.684 1.00 0.00 C ATOM 670 CD PRO A 45 -1.588 7.262 -10.349 1.00 0.00 C ATOM 0 HA PRO A 45 -3.084 7.120 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.828 7.390 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.863 8.736 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.482 7.069 -11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.002 8.730 -11.125 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.255 6.482 -11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.871 8.079 -10.425 1.00 0.00 H new ATOM 678 N SER A 46 -4.946 5.294 -8.186 1.00 0.00 N ATOM 679 CA SER A 46 -5.609 3.961 -8.192 1.00 0.00 C ATOM 680 C SER A 46 -6.013 3.600 -9.627 1.00 0.00 C ATOM 681 O SER A 46 -6.671 4.376 -10.292 1.00 0.00 O ATOM 682 CB SER A 46 -6.858 4.011 -7.311 1.00 0.00 C ATOM 683 OG SER A 46 -7.836 3.121 -7.833 1.00 0.00 O ATOM 0 H SER A 46 -5.560 6.083 -7.982 1.00 0.00 H new ATOM 0 HA SER A 46 -4.920 3.209 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.607 3.734 -6.287 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.254 5.026 -7.278 1.00 0.00 H new ATOM 0 HG SER A 46 -8.364 2.747 -7.097 1.00 0.00 H new ATOM 689 N PRO A 47 -5.609 2.432 -10.068 1.00 0.00 N ATOM 690 CA PRO A 47 -5.923 1.950 -11.424 1.00 0.00 C ATOM 691 C PRO A 47 -7.361 1.428 -11.486 1.00 0.00 C ATOM 692 O PRO A 47 -7.842 1.024 -12.526 1.00 0.00 O ATOM 693 CB PRO A 47 -4.920 0.814 -11.641 1.00 0.00 C ATOM 694 CG PRO A 47 -4.489 0.337 -10.233 1.00 0.00 C ATOM 695 CD PRO A 47 -4.809 1.488 -9.261 1.00 0.00 C ATOM 0 HA PRO A 47 -5.850 2.728 -12.184 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.373 -0.001 -12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.060 1.160 -12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.025 -0.569 -9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.426 0.098 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.366 1.134 -8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.899 1.957 -8.885 1.00 0.00 H new ATOM 703 N LYS A 48 -8.047 1.435 -10.379 1.00 0.00 N ATOM 704 CA LYS A 48 -9.454 0.942 -10.369 1.00 0.00 C ATOM 705 C LYS A 48 -10.178 1.493 -9.139 1.00 0.00 C ATOM 706 O LYS A 48 -9.606 1.615 -8.074 1.00 0.00 O ATOM 707 CB LYS A 48 -9.458 -0.587 -10.322 1.00 0.00 C ATOM 708 CG LYS A 48 -9.993 -1.137 -11.646 1.00 0.00 C ATOM 709 CD LYS A 48 -9.589 -2.605 -11.790 1.00 0.00 C ATOM 710 CE LYS A 48 -8.497 -2.732 -12.855 1.00 0.00 C ATOM 711 NZ LYS A 48 -8.369 -4.159 -13.267 1.00 0.00 N ATOM 0 H LYS A 48 -7.695 1.761 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.964 1.279 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.449 -0.959 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.077 -0.934 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.078 -1.043 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.597 -0.557 -12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.228 -2.989 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.455 -3.206 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.742 -2.114 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.547 -2.369 -12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.627 -4.246 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.116 -4.738 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.274 -4.490 -13.658 1.00 0.00 H new ATOM 725 N ALA A 49 -11.433 1.825 -9.275 1.00 0.00 N ATOM 726 CA ALA A 49 -12.191 2.366 -8.113 1.00 0.00 C ATOM 727 C ALA A 49 -12.651 1.210 -7.222 1.00 0.00 C ATOM 728 O ALA A 49 -13.652 0.572 -7.484 1.00 0.00 O ATOM 729 CB ALA A 49 -13.411 3.139 -8.615 1.00 0.00 C ATOM 0 H ALA A 49 -11.966 1.745 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.549 3.034 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.966 3.535 -7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.084 3.962 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.054 2.471 -9.189 1.00 0.00 H new ATOM 735 N GLY A 50 -11.928 0.934 -6.171 1.00 0.00 N ATOM 736 CA GLY A 50 -12.326 -0.181 -5.265 1.00 0.00 C ATOM 737 C GLY A 50 -11.933 0.162 -3.827 1.00 0.00 C ATOM 738 O GLY A 50 -11.507 1.261 -3.536 1.00 0.00 O ATOM 0 H GLY A 50 -11.080 1.432 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.401 -0.349 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.840 -1.106 -5.575 1.00 0.00 H new ATOM 742 N VAL A 51 -12.074 -0.771 -2.925 1.00 0.00 N ATOM 743 CA VAL A 51 -11.708 -0.496 -1.507 1.00 0.00 C ATOM 744 C VAL A 51 -10.379 -1.180 -1.182 1.00 0.00 C ATOM 745 O VAL A 51 -10.208 -2.362 -1.401 1.00 0.00 O ATOM 746 CB VAL A 51 -12.801 -1.038 -0.584 1.00 0.00 C ATOM 747 CG1 VAL A 51 -13.131 -2.479 -0.976 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.306 -1.005 0.864 1.00 0.00 C ATOM 0 H VAL A 51 -12.426 -1.710 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.608 0.579 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.695 -0.422 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.910 -2.866 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.482 -2.504 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.237 -3.096 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.084 -1.391 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.412 -1.622 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.069 0.021 1.144 1.00 0.00 H new ATOM 758 N VAL A 52 -9.435 -0.445 -0.659 1.00 0.00 N ATOM 759 CA VAL A 52 -8.118 -1.054 -0.319 1.00 0.00 C ATOM 760 C VAL A 52 -8.339 -2.317 0.514 1.00 0.00 C ATOM 761 O VAL A 52 -9.116 -2.328 1.448 1.00 0.00 O ATOM 762 CB VAL A 52 -7.284 -0.053 0.483 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.063 -0.760 1.071 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.823 1.078 -0.438 1.00 0.00 C ATOM 0 H VAL A 52 -9.519 0.550 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.590 -1.313 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.889 0.358 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.469 -0.046 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.390 -1.567 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.457 -1.172 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.229 1.792 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.218 0.666 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.693 1.583 -0.857 1.00 0.00 H new ATOM 774 N LYS A 53 -7.663 -3.383 0.184 1.00 0.00 N ATOM 775 CA LYS A 53 -7.835 -4.645 0.959 1.00 0.00 C ATOM 776 C LYS A 53 -6.654 -4.822 1.915 1.00 0.00 C ATOM 777 O LYS A 53 -6.823 -4.911 3.115 1.00 0.00 O ATOM 778 CB LYS A 53 -7.893 -5.831 -0.005 1.00 0.00 C ATOM 779 CG LYS A 53 -7.851 -7.138 0.789 1.00 0.00 C ATOM 780 CD LYS A 53 -8.690 -8.199 0.074 1.00 0.00 C ATOM 781 CE LYS A 53 -9.096 -9.286 1.071 1.00 0.00 C ATOM 782 NZ LYS A 53 -10.257 -10.048 0.529 1.00 0.00 N ATOM 0 H LYS A 53 -6.999 -3.435 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.761 -4.596 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.805 -5.784 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.055 -5.789 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.821 -7.481 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.233 -6.976 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.578 -7.742 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.120 -8.637 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.258 -9.959 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.357 -8.837 2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.534 -10.787 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.057 -9.401 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.992 -10.488 -0.375 1.00 0.00 H new ATOM 796 N SER A 54 -5.459 -4.875 1.393 1.00 0.00 N ATOM 797 CA SER A 54 -4.269 -5.047 2.273 1.00 0.00 C ATOM 798 C SER A 54 -3.055 -4.377 1.626 1.00 0.00 C ATOM 799 O SER A 54 -2.982 -4.233 0.422 1.00 0.00 O ATOM 800 CB SER A 54 -3.988 -6.537 2.464 1.00 0.00 C ATOM 801 OG SER A 54 -5.192 -7.270 2.280 1.00 0.00 O ATOM 0 H SER A 54 -5.256 -4.807 0.396 1.00 0.00 H new ATOM 0 HA SER A 54 -4.464 -4.587 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.233 -6.871 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.587 -6.718 3.461 1.00 0.00 H new ATOM 0 HG SER A 54 -5.014 -8.226 2.400 1.00 0.00 H new ATOM 807 N VAL A 55 -2.101 -3.965 2.417 1.00 0.00 N ATOM 808 CA VAL A 55 -0.893 -3.306 1.845 1.00 0.00 C ATOM 809 C VAL A 55 0.274 -4.294 1.842 1.00 0.00 C ATOM 810 O VAL A 55 0.553 -4.944 2.830 1.00 0.00 O ATOM 811 CB VAL A 55 -0.528 -2.088 2.696 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.496 -1.232 1.949 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.786 -1.259 2.964 1.00 0.00 C ATOM 0 H VAL A 55 -2.106 -4.056 3.433 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.101 -2.988 0.823 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.102 -2.420 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.756 -0.364 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.392 -1.822 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.070 -0.899 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.527 -0.391 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.211 -0.927 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.517 -1.868 3.496 1.00 0.00 H new ATOM 823 N SER A 56 0.959 -4.413 0.738 1.00 0.00 N ATOM 824 CA SER A 56 2.109 -5.360 0.672 1.00 0.00 C ATOM 825 C SER A 56 3.409 -4.572 0.501 1.00 0.00 C ATOM 826 O SER A 56 4.416 -5.101 0.074 1.00 0.00 O ATOM 827 CB SER A 56 1.925 -6.303 -0.515 1.00 0.00 C ATOM 828 OG SER A 56 0.567 -6.718 -0.581 1.00 0.00 O ATOM 0 H SER A 56 0.773 -3.896 -0.121 1.00 0.00 H new ATOM 0 HA SER A 56 2.155 -5.941 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.209 -5.801 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.577 -7.170 -0.410 1.00 0.00 H new ATOM 0 HG SER A 56 0.446 -7.322 -1.343 1.00 0.00 H new ATOM 834 N VAL A 57 3.397 -3.309 0.832 1.00 0.00 N ATOM 835 CA VAL A 57 4.632 -2.488 0.686 1.00 0.00 C ATOM 836 C VAL A 57 4.861 -1.682 1.967 1.00 0.00 C ATOM 837 O VAL A 57 4.112 -1.782 2.917 1.00 0.00 O ATOM 838 CB VAL A 57 4.474 -1.532 -0.496 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.128 -2.331 -1.756 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.349 -0.538 -0.200 1.00 0.00 C ATOM 0 H VAL A 57 2.585 -2.811 1.197 1.00 0.00 H new ATOM 0 HA VAL A 57 5.485 -3.143 0.510 1.00 0.00 H new ATOM 0 HB VAL A 57 5.407 -0.991 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.015 -1.650 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.928 -3.041 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.195 -2.872 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.235 0.144 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.416 -1.080 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.593 0.031 0.697 1.00 0.00 H new ATOM 850 N LYS A 58 5.892 -0.883 1.998 1.00 0.00 N ATOM 851 CA LYS A 58 6.168 -0.071 3.217 1.00 0.00 C ATOM 852 C LYS A 58 6.604 1.336 2.804 1.00 0.00 C ATOM 853 O LYS A 58 7.054 1.557 1.698 1.00 0.00 O ATOM 854 CB LYS A 58 7.283 -0.733 4.030 1.00 0.00 C ATOM 855 CG LYS A 58 6.944 -0.656 5.520 1.00 0.00 C ATOM 856 CD LYS A 58 7.841 -1.622 6.298 1.00 0.00 C ATOM 857 CE LYS A 58 8.721 -0.834 7.267 1.00 0.00 C ATOM 858 NZ LYS A 58 9.459 -1.780 8.151 1.00 0.00 N ATOM 0 H LYS A 58 6.555 -0.757 1.233 1.00 0.00 H new ATOM 0 HA LYS A 58 5.265 -0.008 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.400 -1.773 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.233 -0.235 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.086 0.362 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.896 -0.908 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.231 -2.340 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.462 -2.193 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.425 -0.213 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.108 -0.162 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.058 -1.243 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.779 -2.354 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.056 -2.404 7.571 1.00 0.00 H new ATOM 872 N LEU A 59 6.476 2.290 3.686 1.00 0.00 N ATOM 873 CA LEU A 59 6.883 3.681 3.343 1.00 0.00 C ATOM 874 C LEU A 59 8.408 3.794 3.394 1.00 0.00 C ATOM 875 O LEU A 59 9.027 3.513 4.402 1.00 0.00 O ATOM 876 CB LEU A 59 6.266 4.656 4.348 1.00 0.00 C ATOM 877 CG LEU A 59 6.794 4.346 5.750 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.980 5.261 6.062 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.684 4.584 6.776 1.00 0.00 C ATOM 0 H LEU A 59 6.107 2.165 4.629 1.00 0.00 H new ATOM 0 HA LEU A 59 6.534 3.924 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.512 5.682 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.179 4.573 4.331 1.00 0.00 H new ATOM 0 HG LEU A 59 7.115 3.305 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.357 5.041 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.771 5.094 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.658 6.302 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.059 4.363 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.363 5.625 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.838 3.934 6.554 1.00 0.00 H new ATOM 891 N GLY A 60 9.019 4.201 2.316 1.00 0.00 N ATOM 892 CA GLY A 60 10.504 4.330 2.303 1.00 0.00 C ATOM 893 C GLY A 60 11.126 3.045 1.755 1.00 0.00 C ATOM 894 O GLY A 60 12.314 2.975 1.511 1.00 0.00 O ATOM 0 H GLY A 60 8.554 4.450 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.800 5.180 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.871 4.523 3.311 1.00 0.00 H new ATOM 898 N ASP A 61 10.333 2.027 1.559 1.00 0.00 N ATOM 899 CA ASP A 61 10.882 0.748 1.027 1.00 0.00 C ATOM 900 C ASP A 61 11.100 0.875 -0.482 1.00 0.00 C ATOM 901 O ASP A 61 10.339 1.517 -1.177 1.00 0.00 O ATOM 902 CB ASP A 61 9.893 -0.386 1.305 1.00 0.00 C ATOM 903 CG ASP A 61 10.178 -0.986 2.684 1.00 0.00 C ATOM 904 OD1 ASP A 61 11.057 -0.476 3.360 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.514 -1.946 3.039 1.00 0.00 O ATOM 0 H ASP A 61 9.330 2.026 1.744 1.00 0.00 H new ATOM 0 HA ASP A 61 11.832 0.530 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.871 -0.009 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.980 -1.155 0.537 1.00 0.00 H new ATOM 910 N LYS A 62 12.135 0.268 -0.994 1.00 0.00 N ATOM 911 CA LYS A 62 12.401 0.353 -2.458 1.00 0.00 C ATOM 912 C LYS A 62 11.717 -0.815 -3.170 1.00 0.00 C ATOM 913 O LYS A 62 11.958 -1.967 -2.866 1.00 0.00 O ATOM 914 CB LYS A 62 13.910 0.289 -2.707 1.00 0.00 C ATOM 915 CG LYS A 62 14.470 -1.007 -2.119 1.00 0.00 C ATOM 916 CD LYS A 62 15.064 -1.862 -3.241 1.00 0.00 C ATOM 917 CE LYS A 62 15.778 -3.072 -2.638 1.00 0.00 C ATOM 918 NZ LYS A 62 14.777 -4.126 -2.305 1.00 0.00 N ATOM 0 H LYS A 62 12.808 -0.283 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 62 12.008 1.294 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.115 0.334 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.401 1.149 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.235 -0.781 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.681 -1.557 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.275 -2.192 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.764 -1.271 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.512 -3.463 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.323 -2.776 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.263 -4.949 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.093 -3.750 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.276 -4.415 -3.170 1.00 0.00 H new ATOM 932 N LEU A 63 10.865 -0.528 -4.117 1.00 0.00 N ATOM 933 CA LEU A 63 10.166 -1.624 -4.846 1.00 0.00 C ATOM 934 C LEU A 63 10.814 -1.817 -6.218 1.00 0.00 C ATOM 935 O LEU A 63 11.367 -0.898 -6.790 1.00 0.00 O ATOM 936 CB LEU A 63 8.692 -1.257 -5.025 1.00 0.00 C ATOM 937 CG LEU A 63 8.139 -0.700 -3.713 1.00 0.00 C ATOM 938 CD1 LEU A 63 6.707 -0.209 -3.928 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.145 -1.802 -2.651 1.00 0.00 C ATOM 0 H LEU A 63 10.623 0.417 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 63 10.243 -2.549 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.585 -0.518 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.122 -2.136 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 63 8.761 0.131 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.314 0.188 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.701 0.575 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.084 -1.039 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.751 -1.407 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.523 -2.632 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.165 -2.153 -2.496 1.00 0.00 H new ATOM 951 N LYS A 64 10.750 -3.005 -6.752 1.00 0.00 N ATOM 952 CA LYS A 64 11.362 -3.257 -8.088 1.00 0.00 C ATOM 953 C LYS A 64 10.293 -3.786 -9.046 1.00 0.00 C ATOM 954 O LYS A 64 9.329 -4.400 -8.636 1.00 0.00 O ATOM 955 CB LYS A 64 12.482 -4.291 -7.950 1.00 0.00 C ATOM 956 CG LYS A 64 13.410 -4.203 -9.162 1.00 0.00 C ATOM 957 CD LYS A 64 14.778 -4.788 -8.802 1.00 0.00 C ATOM 958 CE LYS A 64 14.917 -6.181 -9.419 1.00 0.00 C ATOM 959 NZ LYS A 64 16.151 -6.834 -8.899 1.00 0.00 N ATOM 0 H LYS A 64 10.300 -3.813 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 64 11.774 -2.327 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.045 -4.113 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.059 -5.293 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.980 -4.747 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.518 -3.165 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.571 -4.136 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.887 -4.846 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.043 -6.786 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.963 -6.106 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.246 -7.781 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.980 -6.259 -9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.090 -6.918 -7.864 1.00 0.00 H new ATOM 973 N GLU A 65 10.455 -3.552 -10.320 1.00 0.00 N ATOM 974 CA GLU A 65 9.450 -4.038 -11.302 1.00 0.00 C ATOM 975 C GLU A 65 9.120 -5.506 -11.020 1.00 0.00 C ATOM 976 O GLU A 65 9.955 -6.264 -10.567 1.00 0.00 O ATOM 977 CB GLU A 65 10.016 -3.906 -12.718 1.00 0.00 C ATOM 978 CG GLU A 65 10.008 -2.435 -13.138 1.00 0.00 C ATOM 979 CD GLU A 65 10.842 -2.262 -14.409 1.00 0.00 C ATOM 980 OE1 GLU A 65 11.779 -3.023 -14.587 1.00 0.00 O ATOM 981 OE2 GLU A 65 10.530 -1.373 -15.182 1.00 0.00 O ATOM 0 H GLU A 65 11.243 -3.044 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 65 8.542 -3.441 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.032 -4.299 -12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.422 -4.497 -13.415 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.985 -2.102 -13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.413 -1.815 -12.338 1.00 0.00 H new ATOM 988 N GLY A 66 7.910 -5.914 -11.288 1.00 0.00 N ATOM 989 CA GLY A 66 7.528 -7.334 -11.040 1.00 0.00 C ATOM 990 C GLY A 66 7.053 -7.497 -9.595 1.00 0.00 C ATOM 991 O GLY A 66 6.103 -8.202 -9.320 1.00 0.00 O ATOM 0 H GLY A 66 7.169 -5.326 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.738 -7.633 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.380 -7.988 -11.229 1.00 0.00 H new ATOM 995 N ASP A 67 7.707 -6.852 -8.669 1.00 0.00 N ATOM 996 CA ASP A 67 7.292 -6.972 -7.242 1.00 0.00 C ATOM 997 C ASP A 67 5.869 -6.436 -7.076 1.00 0.00 C ATOM 998 O ASP A 67 5.543 -5.361 -7.539 1.00 0.00 O ATOM 999 CB ASP A 67 8.250 -6.164 -6.364 1.00 0.00 C ATOM 1000 CG ASP A 67 9.636 -6.810 -6.390 1.00 0.00 C ATOM 1001 OD1 ASP A 67 10.293 -6.714 -7.412 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.016 -7.390 -5.386 1.00 0.00 O ATOM 0 H ASP A 67 8.511 -6.247 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 67 7.320 -8.019 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.310 -5.136 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.876 -6.123 -5.341 1.00 0.00 H new ATOM 1007 N ALA A 68 5.020 -7.177 -6.418 1.00 0.00 N ATOM 1008 CA ALA A 68 3.620 -6.709 -6.223 1.00 0.00 C ATOM 1009 C ALA A 68 3.624 -5.411 -5.411 1.00 0.00 C ATOM 1010 O ALA A 68 4.665 -4.864 -5.104 1.00 0.00 O ATOM 1011 CB ALA A 68 2.826 -7.778 -5.469 1.00 0.00 C ATOM 0 H ALA A 68 5.236 -8.086 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 68 3.159 -6.529 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.801 -7.436 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.823 -8.703 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.288 -7.957 -4.498 1.00 0.00 H new ATOM 1017 N ILE A 69 2.469 -4.916 -5.060 1.00 0.00 N ATOM 1018 CA ILE A 69 2.408 -3.655 -4.269 1.00 0.00 C ATOM 1019 C ILE A 69 1.210 -3.708 -3.318 1.00 0.00 C ATOM 1020 O ILE A 69 1.363 -3.719 -2.113 1.00 0.00 O ATOM 1021 CB ILE A 69 2.254 -2.464 -5.217 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.458 -2.404 -6.159 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.178 -1.170 -4.405 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.730 -2.147 -5.347 1.00 0.00 C ATOM 0 H ILE A 69 1.565 -5.330 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 69 3.326 -3.543 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 69 1.340 -2.580 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.549 -3.340 -6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.318 -1.613 -6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.068 -0.322 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.321 -1.212 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.091 -1.053 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.588 -2.104 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.637 -1.200 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.872 -2.954 -4.628 1.00 0.00 H new ATOM 1036 N ILE A 70 0.020 -3.740 -3.850 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.186 -3.793 -2.976 1.00 0.00 C ATOM 1038 C ILE A 70 -2.296 -4.572 -3.683 1.00 0.00 C ATOM 1039 O ILE A 70 -2.088 -5.159 -4.727 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.667 -2.371 -2.685 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.597 -1.537 -3.967 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.774 -1.737 -1.617 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -1.943 -0.082 -3.650 1.00 0.00 C ATOM 0 H ILE A 70 -0.170 -3.732 -4.852 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.934 -4.291 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.696 -2.403 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.598 -1.598 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.290 -1.933 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.118 -0.723 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.822 -2.330 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.255 -1.705 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.893 0.511 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.951 -0.029 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.232 0.311 -2.923 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.474 -4.586 -3.122 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.596 -5.327 -3.763 1.00 0.00 C ATOM 1057 C GLU A 71 -5.900 -4.552 -3.568 1.00 0.00 C ATOM 1058 O GLU A 71 -6.351 -4.347 -2.458 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.725 -6.711 -3.122 1.00 0.00 C ATOM 1060 CG GLU A 71 -4.784 -7.778 -4.215 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.060 -9.144 -3.582 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -5.019 -9.230 -2.366 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -5.307 -10.080 -4.325 1.00 0.00 O ATOM 0 H GLU A 71 -3.708 -4.116 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.396 -5.436 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.878 -6.898 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.624 -6.756 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.566 -7.534 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.843 -7.803 -4.764 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.511 -4.120 -4.637 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.785 -3.358 -4.510 1.00 0.00 C ATOM 1072 C LEU A 72 -8.968 -4.315 -4.676 1.00 0.00 C ATOM 1073 O LEU A 72 -8.968 -5.174 -5.534 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.846 -2.280 -5.595 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.256 -1.691 -5.651 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.178 -0.169 -5.514 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.904 -2.048 -6.990 1.00 0.00 C ATOM 0 H LEU A 72 -6.183 -4.262 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.831 -2.887 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.121 -1.495 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.580 -2.707 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.854 -2.100 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.183 0.252 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.715 0.087 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.581 0.240 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.909 -1.629 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.306 -1.638 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.959 -3.132 -7.090 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.976 -4.174 -3.859 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.157 -5.076 -3.971 1.00 0.00 C ATOM 1091 C GLU A 73 -12.391 -4.257 -4.360 1.00 0.00 C ATOM 1092 O GLU A 73 -13.146 -3.834 -3.507 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.403 -5.762 -2.625 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.926 -7.180 -2.863 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.729 -7.640 -1.645 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.483 -7.121 -0.568 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.574 -8.503 -1.809 1.00 0.00 O ATOM 0 H GLU A 73 -10.033 -3.474 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.967 -5.830 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.479 -5.796 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.124 -5.191 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.553 -7.203 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.094 -7.861 -3.041 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.557 -4.059 -5.643 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.691 -3.293 -6.189 1.00 0.00 C ATOM 1106 C PRO A 74 -14.960 -4.151 -6.196 1.00 0.00 C ATOM 1107 O PRO A 74 -14.955 -5.283 -6.637 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.247 -2.964 -7.616 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.173 -4.013 -7.993 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.630 -4.581 -6.668 1.00 0.00 C ATOM 0 HA PRO A 74 -13.929 -2.403 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.091 -3.007 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.840 -1.954 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.603 -4.805 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.373 -3.557 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.619 -5.671 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.607 -4.253 -6.484 1.00 0.00 H new