USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 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+ 146:sc= 0.0159 (180deg=0) USER MOD Single : A 1 SER OG : rot 91:sc= 0.149 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= -5.06! C(o=-5.1!,f=-9.2!) USER MOD Single : A 37 SER OG : rot -117:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -57:sc= 0.213 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 166:sc= -0.146! 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= -1.52! USER MOD Single : A 56 SER OG : rot -65:sc= 0.707 USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= -0.146 (180deg=-0.591) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.603 -9.638 -5.861 1.00 0.00 N ATOM 2 CA SER A 1 -10.419 -8.781 -5.573 1.00 0.00 C ATOM 3 C SER A 1 -9.243 -9.226 -6.444 1.00 0.00 C ATOM 4 O SER A 1 -9.014 -10.403 -6.640 1.00 0.00 O ATOM 5 CB SER A 1 -10.041 -8.914 -4.097 1.00 0.00 C ATOM 6 OG SER A 1 -9.281 -10.100 -3.913 1.00 0.00 O ATOM 0 H1 SER A 1 -12.155 -9.771 -4.990 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.197 -9.179 -6.581 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.284 -10.563 -6.214 1.00 0.00 H new ATOM 0 HA SER A 1 -10.660 -7.741 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.465 -8.046 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.940 -8.945 -3.481 1.00 0.00 H new ATOM 0 HG SER A 1 -8.327 -9.896 -4.010 1.00 0.00 H new ATOM 14 N GLU A 2 -8.494 -8.295 -6.968 1.00 0.00 N ATOM 15 CA GLU A 2 -7.334 -8.667 -7.826 1.00 0.00 C ATOM 16 C GLU A 2 -6.049 -8.093 -7.225 1.00 0.00 C ATOM 17 O GLU A 2 -6.068 -7.089 -6.541 1.00 0.00 O ATOM 18 CB GLU A 2 -7.537 -8.100 -9.232 1.00 0.00 C ATOM 19 CG GLU A 2 -8.707 -8.818 -9.908 1.00 0.00 C ATOM 20 CD GLU A 2 -8.306 -9.225 -11.328 1.00 0.00 C ATOM 21 OE1 GLU A 2 -7.128 -9.458 -11.545 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.183 -9.296 -12.172 1.00 0.00 O ATOM 0 H GLU A 2 -8.635 -7.293 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.256 -9.753 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.735 -7.030 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.629 -8.227 -9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.988 -9.699 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.579 -8.165 -9.938 1.00 0.00 H new ATOM 29 N ILE A 3 -4.933 -8.722 -7.475 1.00 0.00 N ATOM 30 CA ILE A 3 -3.649 -8.212 -6.918 1.00 0.00 C ATOM 31 C ILE A 3 -3.061 -7.165 -7.866 1.00 0.00 C ATOM 32 O ILE A 3 -3.306 -7.185 -9.056 1.00 0.00 O ATOM 33 CB ILE A 3 -2.663 -9.371 -6.765 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.458 -8.909 -5.941 1.00 0.00 C ATOM 35 CG2 ILE A 3 -2.191 -9.825 -8.147 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.750 -10.127 -5.347 1.00 0.00 C ATOM 0 H ILE A 3 -4.855 -9.567 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.831 -7.759 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.154 -10.202 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.769 -8.345 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.783 -8.240 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.488 -10.651 -8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.048 -10.153 -8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.700 -8.995 -8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.108 -9.799 -4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.441 -10.673 -4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.411 -10.779 -6.152 1.00 0.00 H new ATOM 48 N ILE A 4 -2.288 -6.249 -7.349 1.00 0.00 N ATOM 49 CA ILE A 4 -1.688 -5.203 -8.224 1.00 0.00 C ATOM 50 C ILE A 4 -0.191 -5.082 -7.922 1.00 0.00 C ATOM 51 O ILE A 4 0.206 -4.755 -6.822 1.00 0.00 O ATOM 52 CB ILE A 4 -2.370 -3.861 -7.955 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.859 -3.971 -8.297 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.728 -2.777 -8.822 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.640 -4.384 -7.048 1.00 0.00 C ATOM 0 H ILE A 4 -2.047 -6.180 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.828 -5.480 -9.269 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.254 -3.599 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.229 -3.016 -8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.008 -4.703 -9.091 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.215 -1.821 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.668 -2.699 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.843 -3.037 -9.874 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.700 -4.462 -7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.277 -5.349 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.501 -3.636 -6.268 1.00 0.00 H new ATOM 67 N ARG A 5 0.641 -5.343 -8.893 1.00 0.00 N ATOM 68 CA ARG A 5 2.111 -5.242 -8.662 1.00 0.00 C ATOM 69 C ARG A 5 2.584 -3.828 -9.002 1.00 0.00 C ATOM 70 O ARG A 5 1.826 -3.006 -9.477 1.00 0.00 O ATOM 71 CB ARG A 5 2.837 -6.252 -9.554 1.00 0.00 C ATOM 72 CG ARG A 5 2.482 -5.988 -11.019 1.00 0.00 C ATOM 73 CD ARG A 5 1.613 -7.131 -11.547 1.00 0.00 C ATOM 74 NE ARG A 5 1.366 -6.935 -13.003 1.00 0.00 N ATOM 75 CZ ARG A 5 1.793 -7.818 -13.863 1.00 0.00 C ATOM 76 NH1 ARG A 5 3.021 -8.254 -13.795 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.992 -8.265 -14.792 1.00 0.00 N ATOM 0 H ARG A 5 0.367 -5.622 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 5 2.331 -5.457 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.914 -6.172 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.553 -7.267 -9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.951 -5.041 -11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.391 -5.903 -11.615 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.108 -8.087 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.666 -7.162 -11.007 1.00 0.00 H new ATOM 0 HE ARG A 5 0.862 -6.110 -13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.647 -7.904 -13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.355 -8.944 -14.467 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.032 -7.924 -14.845 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.326 -8.955 -15.464 1.00 0.00 H new ATOM 91 N VAL A 6 3.833 -3.537 -8.761 1.00 0.00 N ATOM 92 CA VAL A 6 4.354 -2.175 -9.069 1.00 0.00 C ATOM 93 C VAL A 6 4.080 -1.848 -10.542 1.00 0.00 C ATOM 94 O VAL A 6 4.219 -2.699 -11.397 1.00 0.00 O ATOM 95 CB VAL A 6 5.862 -2.138 -8.810 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.443 -0.830 -9.348 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.122 -2.228 -7.305 1.00 0.00 C ATOM 0 H VAL A 6 4.515 -4.183 -8.364 1.00 0.00 H new ATOM 0 HA VAL A 6 3.858 -1.441 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 6 6.336 -2.980 -9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.517 -0.805 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.258 -0.764 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.969 0.013 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.196 -2.202 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.646 -1.386 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.710 -3.161 -6.920 1.00 0.00 H new ATOM 107 N PRO A 7 3.697 -0.621 -10.795 1.00 0.00 N ATOM 108 CA PRO A 7 3.395 -0.150 -12.159 1.00 0.00 C ATOM 109 C PRO A 7 4.691 0.148 -12.919 1.00 0.00 C ATOM 110 O PRO A 7 5.777 -0.126 -12.447 1.00 0.00 O ATOM 111 CB PRO A 7 2.593 1.132 -11.926 1.00 0.00 C ATOM 112 CG PRO A 7 2.961 1.626 -10.506 1.00 0.00 C ATOM 113 CD PRO A 7 3.528 0.410 -9.751 1.00 0.00 C ATOM 0 HA PRO A 7 2.853 -0.883 -12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.838 1.885 -12.675 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.523 0.940 -12.005 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.696 2.430 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.085 2.025 -9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.476 0.648 -9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.848 0.075 -8.968 1.00 0.00 H new ATOM 121 N ASP A 8 4.585 0.708 -14.093 1.00 0.00 N ATOM 122 CA ASP A 8 5.809 1.025 -14.882 1.00 0.00 C ATOM 123 C ASP A 8 6.355 2.386 -14.446 1.00 0.00 C ATOM 124 O ASP A 8 5.757 3.414 -14.696 1.00 0.00 O ATOM 125 CB ASP A 8 5.460 1.068 -16.371 1.00 0.00 C ATOM 126 CG ASP A 8 6.746 1.166 -17.194 1.00 0.00 C ATOM 127 OD1 ASP A 8 7.755 1.562 -16.635 1.00 0.00 O ATOM 128 OD2 ASP A 8 6.699 0.843 -18.370 1.00 0.00 O ATOM 0 H ASP A 8 3.703 0.960 -14.540 1.00 0.00 H new ATOM 0 HA ASP A 8 6.563 0.257 -14.709 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.904 0.173 -16.651 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.816 1.922 -16.580 1.00 0.00 H new ATOM 133 N ILE A 9 7.484 2.403 -13.793 1.00 0.00 N ATOM 134 CA ILE A 9 8.064 3.699 -13.341 1.00 0.00 C ATOM 135 C ILE A 9 9.243 4.071 -14.243 1.00 0.00 C ATOM 136 O ILE A 9 9.271 5.129 -14.839 1.00 0.00 O ATOM 137 CB ILE A 9 8.552 3.588 -11.888 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.423 2.146 -11.385 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.710 4.506 -11.000 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.985 2.047 -9.965 1.00 0.00 C ATOM 0 H ILE A 9 8.030 1.576 -13.553 1.00 0.00 H new ATOM 0 HA ILE A 9 7.294 4.469 -13.399 1.00 0.00 H new ATOM 0 HB ILE A 9 9.600 3.884 -11.847 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.377 1.838 -11.396 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.961 1.469 -12.048 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.054 4.430 -9.968 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.812 5.536 -11.341 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.663 4.207 -11.057 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.893 1.021 -9.608 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.036 2.337 -9.968 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.427 2.712 -9.306 1.00 0.00 H new ATOM 152 N GLY A 10 10.217 3.209 -14.348 1.00 0.00 N ATOM 153 CA GLY A 10 11.393 3.514 -15.212 1.00 0.00 C ATOM 154 C GLY A 10 12.658 2.932 -14.580 1.00 0.00 C ATOM 155 O GLY A 10 13.611 2.609 -15.259 1.00 0.00 O ATOM 0 H GLY A 10 10.250 2.307 -13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.245 3.094 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.498 4.592 -15.334 1.00 0.00 H new ATOM 159 N GLY A 11 12.673 2.795 -13.282 1.00 0.00 N ATOM 160 CA GLY A 11 13.878 2.234 -12.607 1.00 0.00 C ATOM 161 C GLY A 11 13.637 2.175 -11.097 1.00 0.00 C ATOM 162 O GLY A 11 13.428 3.183 -10.453 1.00 0.00 O ATOM 0 H GLY A 11 11.904 3.047 -12.661 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.092 1.236 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.750 2.852 -12.823 1.00 0.00 H new ATOM 166 N ASP A 12 13.663 1.001 -10.528 1.00 0.00 N ATOM 167 CA ASP A 12 13.436 0.879 -9.061 1.00 0.00 C ATOM 168 C ASP A 12 12.173 1.652 -8.674 1.00 0.00 C ATOM 169 O ASP A 12 11.511 2.235 -9.508 1.00 0.00 O ATOM 170 CB ASP A 12 14.638 1.455 -8.308 1.00 0.00 C ATOM 171 CG ASP A 12 15.289 0.355 -7.469 1.00 0.00 C ATOM 172 OD1 ASP A 12 14.783 0.079 -6.392 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.283 -0.195 -7.914 1.00 0.00 O ATOM 0 H ASP A 12 13.832 0.121 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 12 13.313 -0.172 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.361 1.864 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.319 2.276 -7.666 1.00 0.00 H new ATOM 178 N GLY A 13 11.836 1.662 -7.414 1.00 0.00 N ATOM 179 CA GLY A 13 10.616 2.397 -6.975 1.00 0.00 C ATOM 180 C GLY A 13 10.551 2.417 -5.446 1.00 0.00 C ATOM 181 O GLY A 13 10.001 1.527 -4.828 1.00 0.00 O ATOM 0 H GLY A 13 12.352 1.193 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.634 3.416 -7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.725 1.918 -7.381 1.00 0.00 H new ATOM 185 N GLU A 14 11.109 3.424 -4.833 1.00 0.00 N ATOM 186 CA GLU A 14 11.078 3.499 -3.345 1.00 0.00 C ATOM 187 C GLU A 14 9.892 4.357 -2.902 1.00 0.00 C ATOM 188 O GLU A 14 9.754 5.496 -3.302 1.00 0.00 O ATOM 189 CB GLU A 14 12.379 4.127 -2.838 1.00 0.00 C ATOM 190 CG GLU A 14 13.572 3.441 -3.506 1.00 0.00 C ATOM 191 CD GLU A 14 14.807 4.334 -3.388 1.00 0.00 C ATOM 192 OE1 GLU A 14 15.056 4.827 -2.299 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.485 4.511 -4.386 1.00 0.00 O ATOM 0 H GLU A 14 11.585 4.198 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 14 10.974 2.495 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.390 5.194 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.447 4.024 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.761 2.477 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.351 3.245 -4.555 1.00 0.00 H new ATOM 200 N VAL A 15 9.032 3.820 -2.079 1.00 0.00 N ATOM 201 CA VAL A 15 7.857 4.607 -1.613 1.00 0.00 C ATOM 202 C VAL A 15 8.317 5.667 -0.611 1.00 0.00 C ATOM 203 O VAL A 15 9.061 5.385 0.308 1.00 0.00 O ATOM 204 CB VAL A 15 6.851 3.670 -0.939 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.532 4.413 -0.714 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.605 2.458 -1.840 1.00 0.00 C ATOM 0 H VAL A 15 9.093 2.871 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 15 7.385 5.095 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 15 7.248 3.338 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.816 3.746 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.706 5.278 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.133 4.745 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.889 1.789 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.207 2.792 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.544 1.929 -2.002 1.00 0.00 H new ATOM 216 N ILE A 16 7.881 6.885 -0.778 1.00 0.00 N ATOM 217 CA ILE A 16 8.294 7.962 0.164 1.00 0.00 C ATOM 218 C ILE A 16 7.265 8.077 1.291 1.00 0.00 C ATOM 219 O ILE A 16 7.584 8.466 2.398 1.00 0.00 O ATOM 220 CB ILE A 16 8.380 9.292 -0.586 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.065 10.334 0.302 1.00 0.00 C ATOM 222 CG2 ILE A 16 6.970 9.772 -0.937 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.902 11.274 -0.566 1.00 0.00 C ATOM 0 H ILE A 16 7.256 7.181 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 16 9.269 7.720 0.586 1.00 0.00 H new ATOM 0 HB ILE A 16 8.957 9.156 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.318 10.902 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.700 9.840 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.031 10.720 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.480 9.031 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.394 9.908 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.390 12.016 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.658 10.699 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.255 11.778 -1.284 1.00 0.00 H new ATOM 235 N GLU A 17 6.034 7.743 1.019 1.00 0.00 N ATOM 236 CA GLU A 17 4.987 7.834 2.076 1.00 0.00 C ATOM 237 C GLU A 17 3.673 7.258 1.543 1.00 0.00 C ATOM 238 O GLU A 17 3.404 7.294 0.359 1.00 0.00 O ATOM 239 CB GLU A 17 4.782 9.300 2.465 1.00 0.00 C ATOM 240 CG GLU A 17 4.426 9.389 3.950 1.00 0.00 C ATOM 241 CD GLU A 17 5.630 9.913 4.734 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.813 11.118 4.765 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.350 9.099 5.289 1.00 0.00 O ATOM 0 H GLU A 17 5.708 7.411 0.111 1.00 0.00 H new ATOM 0 HA GLU A 17 5.303 7.267 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.688 9.871 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.987 9.739 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.571 10.051 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.134 8.408 4.324 1.00 0.00 H new ATOM 250 N LEU A 18 2.853 6.727 2.409 1.00 0.00 N ATOM 251 CA LEU A 18 1.559 6.150 1.951 1.00 0.00 C ATOM 252 C LEU A 18 0.419 7.108 2.305 1.00 0.00 C ATOM 253 O LEU A 18 -0.001 7.193 3.443 1.00 0.00 O ATOM 254 CB LEU A 18 1.327 4.804 2.642 1.00 0.00 C ATOM 255 CG LEU A 18 0.963 3.749 1.596 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.193 2.897 1.280 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.150 2.853 2.144 1.00 0.00 C ATOM 0 H LEU A 18 3.024 6.668 3.413 1.00 0.00 H new ATOM 0 HA LEU A 18 1.589 6.004 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.224 4.501 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.527 4.894 3.377 1.00 0.00 H new ATOM 0 HG LEU A 18 0.620 4.242 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.933 2.145 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.987 3.534 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.537 2.403 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.411 2.100 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.194 2.360 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.027 3.459 2.370 1.00 0.00 H new ATOM 269 N LEU A 19 -0.085 7.829 1.341 1.00 0.00 N ATOM 270 CA LEU A 19 -1.196 8.780 1.625 1.00 0.00 C ATOM 271 C LEU A 19 -2.534 8.047 1.508 1.00 0.00 C ATOM 272 O LEU A 19 -3.582 8.657 1.428 1.00 0.00 O ATOM 273 CB LEU A 19 -1.153 9.930 0.617 1.00 0.00 C ATOM 274 CG LEU A 19 -1.191 9.365 -0.803 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.472 9.823 -1.502 1.00 0.00 C ATOM 276 CD2 LEU A 19 0.023 9.874 -1.585 1.00 0.00 C ATOM 0 H LEU A 19 0.225 7.800 0.370 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.086 9.178 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.999 10.599 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.248 10.520 0.761 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.169 8.276 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.498 9.420 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.338 9.464 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.494 10.912 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.002 9.472 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.001 10.963 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.938 9.550 -1.089 1.00 0.00 H new ATOM 288 N VAL A 20 -2.508 6.743 1.498 1.00 0.00 N ATOM 289 CA VAL A 20 -3.778 5.972 1.385 1.00 0.00 C ATOM 290 C VAL A 20 -4.028 5.208 2.687 1.00 0.00 C ATOM 291 O VAL A 20 -3.235 5.251 3.606 1.00 0.00 O ATOM 292 CB VAL A 20 -3.673 4.982 0.225 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.243 5.724 -1.043 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.634 3.910 0.563 1.00 0.00 C ATOM 0 H VAL A 20 -1.662 6.178 1.563 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.604 6.659 1.202 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.643 4.512 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.168 5.018 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.981 6.489 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.273 6.194 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.558 3.203 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.665 4.381 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.938 3.381 1.466 1.00 0.00 H new ATOM 304 N LYS A 21 -5.126 4.508 2.772 1.00 0.00 N ATOM 305 CA LYS A 21 -5.425 3.741 4.015 1.00 0.00 C ATOM 306 C LYS A 21 -6.136 2.436 3.650 1.00 0.00 C ATOM 307 O LYS A 21 -6.721 2.312 2.592 1.00 0.00 O ATOM 308 CB LYS A 21 -6.328 4.576 4.926 1.00 0.00 C ATOM 309 CG LYS A 21 -5.887 4.403 6.380 1.00 0.00 C ATOM 310 CD LYS A 21 -6.847 3.450 7.094 1.00 0.00 C ATOM 311 CE LYS A 21 -6.810 3.719 8.600 1.00 0.00 C ATOM 312 NZ LYS A 21 -7.861 4.716 8.951 1.00 0.00 N ATOM 0 H LYS A 21 -5.828 4.434 2.036 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.494 3.515 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.277 5.627 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.366 4.265 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.871 4.010 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.874 5.369 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.860 3.586 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.567 2.416 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.974 2.792 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.828 4.092 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.837 4.900 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.685 5.602 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.795 4.343 8.688 1.00 0.00 H new ATOM 326 N THR A 22 -6.092 1.463 4.518 1.00 0.00 N ATOM 327 CA THR A 22 -6.766 0.168 4.220 1.00 0.00 C ATOM 328 C THR A 22 -8.281 0.341 4.345 1.00 0.00 C ATOM 329 O THR A 22 -8.766 1.038 5.214 1.00 0.00 O ATOM 330 CB THR A 22 -6.290 -0.895 5.212 1.00 0.00 C ATOM 331 OG1 THR A 22 -6.934 -2.129 4.927 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.631 -0.456 6.637 1.00 0.00 C ATOM 0 H THR A 22 -5.619 1.509 5.420 1.00 0.00 H new ATOM 0 HA THR A 22 -6.519 -0.145 3.206 1.00 0.00 H new ATOM 0 HB THR A 22 -5.211 -1.019 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.629 -2.811 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.291 -1.214 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.135 0.490 6.855 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.710 -0.331 6.731 1.00 0.00 H new ATOM 340 N GLY A 23 -9.033 -0.288 3.485 1.00 0.00 N ATOM 341 CA GLY A 23 -10.515 -0.159 3.556 1.00 0.00 C ATOM 342 C GLY A 23 -10.954 1.125 2.846 1.00 0.00 C ATOM 343 O GLY A 23 -12.128 1.380 2.675 1.00 0.00 O ATOM 0 H GLY A 23 -8.685 -0.886 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.988 -1.024 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.839 -0.140 4.597 1.00 0.00 H new ATOM 347 N ASP A 24 -10.018 1.935 2.433 1.00 0.00 N ATOM 348 CA ASP A 24 -10.383 3.201 1.736 1.00 0.00 C ATOM 349 C ASP A 24 -10.712 2.900 0.272 1.00 0.00 C ATOM 350 O ASP A 24 -10.015 2.159 -0.392 1.00 0.00 O ATOM 351 CB ASP A 24 -9.208 4.178 1.804 1.00 0.00 C ATOM 352 CG ASP A 24 -9.296 4.994 3.095 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.508 4.396 4.137 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.149 6.203 3.019 1.00 0.00 O ATOM 0 H ASP A 24 -9.017 1.775 2.548 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.253 3.645 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.265 3.632 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.223 4.842 0.940 1.00 0.00 H new ATOM 359 N LEU A 25 -11.771 3.470 -0.237 1.00 0.00 N ATOM 360 CA LEU A 25 -12.143 3.218 -1.656 1.00 0.00 C ATOM 361 C LEU A 25 -11.533 4.305 -2.544 1.00 0.00 C ATOM 362 O LEU A 25 -11.932 5.452 -2.499 1.00 0.00 O ATOM 363 CB LEU A 25 -13.666 3.240 -1.797 1.00 0.00 C ATOM 364 CG LEU A 25 -14.045 3.160 -3.277 1.00 0.00 C ATOM 365 CD1 LEU A 25 -13.829 1.733 -3.784 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.517 3.544 -3.446 1.00 0.00 C ATOM 0 H LEU A 25 -12.394 4.099 0.270 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.764 2.243 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.104 2.403 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.069 4.152 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.421 3.846 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.099 1.677 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.781 1.459 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -14.453 1.046 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.789 3.488 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.140 2.857 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.671 4.561 -3.085 1.00 0.00 H new ATOM 378 N ILE A 26 -10.568 3.955 -3.350 1.00 0.00 N ATOM 379 CA ILE A 26 -9.933 4.965 -4.237 1.00 0.00 C ATOM 380 C ILE A 26 -10.667 4.988 -5.580 1.00 0.00 C ATOM 381 O ILE A 26 -11.703 4.374 -5.741 1.00 0.00 O ATOM 382 CB ILE A 26 -8.470 4.581 -4.457 1.00 0.00 C ATOM 383 CG1 ILE A 26 -7.910 3.953 -3.178 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.655 5.829 -4.805 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.418 3.668 -3.359 1.00 0.00 C ATOM 0 H ILE A 26 -10.193 3.010 -3.431 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.987 5.953 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.406 3.865 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.063 4.625 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.442 3.029 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.613 5.551 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.051 6.280 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.721 6.546 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.020 3.221 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.278 2.980 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.892 4.600 -3.566 1.00 0.00 H new ATOM 397 N GLU A 27 -10.142 5.692 -6.544 1.00 0.00 N ATOM 398 CA GLU A 27 -10.812 5.751 -7.873 1.00 0.00 C ATOM 399 C GLU A 27 -9.757 5.678 -8.979 1.00 0.00 C ATOM 400 O GLU A 27 -8.577 5.562 -8.718 1.00 0.00 O ATOM 401 CB GLU A 27 -11.589 7.064 -7.994 1.00 0.00 C ATOM 402 CG GLU A 27 -12.710 6.902 -9.023 1.00 0.00 C ATOM 403 CD GLU A 27 -12.421 7.787 -10.237 1.00 0.00 C ATOM 404 OE1 GLU A 27 -11.281 8.188 -10.395 1.00 0.00 O ATOM 405 OE2 GLU A 27 -13.347 8.048 -10.988 1.00 0.00 O ATOM 0 H GLU A 27 -9.278 6.229 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.500 4.911 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.007 7.342 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.919 7.869 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.788 5.859 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.667 7.176 -8.580 1.00 0.00 H new ATOM 412 N VAL A 28 -10.174 5.745 -10.215 1.00 0.00 N ATOM 413 CA VAL A 28 -9.194 5.680 -11.335 1.00 0.00 C ATOM 414 C VAL A 28 -8.627 7.076 -11.601 1.00 0.00 C ATOM 415 O VAL A 28 -8.896 7.681 -12.619 1.00 0.00 O ATOM 416 CB VAL A 28 -9.894 5.165 -12.595 1.00 0.00 C ATOM 417 CG1 VAL A 28 -10.958 6.172 -13.035 1.00 0.00 C ATOM 418 CG2 VAL A 28 -8.864 4.991 -13.714 1.00 0.00 C ATOM 0 H VAL A 28 -11.150 5.842 -10.496 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.382 5.004 -11.068 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.367 4.206 -12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.457 5.806 -13.932 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.691 6.298 -12.238 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.485 7.131 -13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.361 4.624 -14.612 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.392 5.950 -13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.105 4.274 -13.401 1.00 0.00 H new ATOM 428 N GLU A 29 -7.839 7.588 -10.694 1.00 0.00 N ATOM 429 CA GLU A 29 -7.251 8.940 -10.890 1.00 0.00 C ATOM 430 C GLU A 29 -6.600 9.406 -9.586 1.00 0.00 C ATOM 431 O GLU A 29 -5.535 9.991 -9.586 1.00 0.00 O ATOM 432 CB GLU A 29 -8.348 9.929 -11.297 1.00 0.00 C ATOM 433 CG GLU A 29 -7.814 11.360 -11.194 1.00 0.00 C ATOM 434 CD GLU A 29 -7.935 12.049 -12.554 1.00 0.00 C ATOM 435 OE1 GLU A 29 -7.132 11.747 -13.422 1.00 0.00 O ATOM 436 OE2 GLU A 29 -8.829 12.865 -12.706 1.00 0.00 O ATOM 0 H GLU A 29 -7.578 7.125 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.499 8.895 -11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.676 9.725 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.218 9.808 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.375 11.915 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.773 11.349 -10.872 1.00 0.00 H new ATOM 443 N GLN A 30 -7.232 9.150 -8.473 1.00 0.00 N ATOM 444 CA GLN A 30 -6.648 9.579 -7.169 1.00 0.00 C ATOM 445 C GLN A 30 -5.248 8.981 -7.019 1.00 0.00 C ATOM 446 O GLN A 30 -5.013 7.836 -7.348 1.00 0.00 O ATOM 447 CB GLN A 30 -7.539 9.090 -6.027 1.00 0.00 C ATOM 448 CG GLN A 30 -7.496 10.099 -4.877 1.00 0.00 C ATOM 449 CD GLN A 30 -7.437 9.352 -3.544 1.00 0.00 C ATOM 450 OE1 GLN A 30 -7.847 8.211 -3.455 1.00 0.00 O ATOM 451 NE2 GLN A 30 -6.940 9.950 -2.496 1.00 0.00 N ATOM 0 H GLN A 30 -8.126 8.663 -8.410 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.584 10.667 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.563 8.967 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.201 8.113 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.626 10.748 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.377 10.740 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.596 10.907 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.896 9.460 -1.602 1.00 0.00 H new ATOM 460 N GLY A 31 -4.314 9.748 -6.525 1.00 0.00 N ATOM 461 CA GLY A 31 -2.929 9.222 -6.356 1.00 0.00 C ATOM 462 C GLY A 31 -2.907 8.174 -5.242 1.00 0.00 C ATOM 463 O GLY A 31 -3.840 8.051 -4.473 1.00 0.00 O ATOM 0 H GLY A 31 -4.450 10.715 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.581 8.781 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.247 10.037 -6.115 1.00 0.00 H new ATOM 467 N LEU A 32 -1.848 7.418 -5.151 1.00 0.00 N ATOM 468 CA LEU A 32 -1.763 6.377 -4.088 1.00 0.00 C ATOM 469 C LEU A 32 -0.458 6.550 -3.309 1.00 0.00 C ATOM 470 O LEU A 32 -0.429 6.446 -2.098 1.00 0.00 O ATOM 471 CB LEU A 32 -1.793 4.988 -4.731 1.00 0.00 C ATOM 472 CG LEU A 32 -2.727 4.077 -3.932 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.581 3.251 -4.896 1.00 0.00 C ATOM 474 CD2 LEU A 32 -1.896 3.137 -3.056 1.00 0.00 C ATOM 0 H LEU A 32 -1.037 7.476 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.609 6.481 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.134 5.061 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.789 4.565 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.375 4.685 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.247 2.602 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.173 3.919 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.933 2.643 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.561 2.488 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.248 2.529 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.286 3.724 -2.369 1.00 0.00 H new ATOM 486 N VAL A 33 0.625 6.814 -3.991 1.00 0.00 N ATOM 487 CA VAL A 33 1.924 6.993 -3.282 1.00 0.00 C ATOM 488 C VAL A 33 2.883 7.789 -4.169 1.00 0.00 C ATOM 489 O VAL A 33 2.589 8.089 -5.309 1.00 0.00 O ATOM 490 CB VAL A 33 2.531 5.623 -2.977 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.553 4.806 -2.133 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.810 4.885 -4.290 1.00 0.00 C ATOM 0 H VAL A 33 0.666 6.913 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 33 1.758 7.533 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 33 3.463 5.754 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.987 3.830 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.353 5.330 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.620 4.675 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.243 3.908 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.878 4.755 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.508 5.466 -4.893 1.00 0.00 H new ATOM 502 N VAL A 34 4.032 8.134 -3.653 1.00 0.00 N ATOM 503 CA VAL A 34 5.011 8.909 -4.465 1.00 0.00 C ATOM 504 C VAL A 34 6.374 8.218 -4.415 1.00 0.00 C ATOM 505 O VAL A 34 7.097 8.319 -3.443 1.00 0.00 O ATOM 506 CB VAL A 34 5.135 10.325 -3.898 1.00 0.00 C ATOM 507 CG1 VAL A 34 6.282 11.056 -4.597 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.828 11.085 -4.135 1.00 0.00 C ATOM 0 H VAL A 34 4.334 7.912 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 34 4.668 8.960 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 34 5.336 10.271 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.370 12.065 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.214 10.515 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.081 11.110 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.915 12.094 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.627 11.138 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.009 10.565 -3.638 1.00 0.00 H new ATOM 518 N LEU A 35 6.733 7.516 -5.455 1.00 0.00 N ATOM 519 CA LEU A 35 8.049 6.818 -5.465 1.00 0.00 C ATOM 520 C LEU A 35 9.114 7.750 -6.045 1.00 0.00 C ATOM 521 O LEU A 35 8.865 8.489 -6.977 1.00 0.00 O ATOM 522 CB LEU A 35 7.952 5.557 -6.326 1.00 0.00 C ATOM 523 CG LEU A 35 7.069 4.524 -5.621 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.671 4.540 -6.240 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.683 3.133 -5.785 1.00 0.00 C ATOM 0 H LEU A 35 6.172 7.396 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 35 8.322 6.542 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.535 5.802 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.946 5.144 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 35 6.999 4.769 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.042 3.804 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.233 5.531 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.740 4.296 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.055 2.397 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.753 2.889 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.680 3.121 -5.344 1.00 0.00 H new ATOM 537 N GLU A 36 10.300 7.723 -5.501 1.00 0.00 N ATOM 538 CA GLU A 36 11.379 8.609 -6.023 1.00 0.00 C ATOM 539 C GLU A 36 12.505 7.754 -6.605 1.00 0.00 C ATOM 540 O GLU A 36 12.936 6.787 -6.007 1.00 0.00 O ATOM 541 CB GLU A 36 11.927 9.470 -4.883 1.00 0.00 C ATOM 542 CG GLU A 36 13.202 10.177 -5.345 1.00 0.00 C ATOM 543 CD GLU A 36 13.307 11.542 -4.661 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.729 11.578 -3.518 1.00 0.00 O ATOM 545 OE2 GLU A 36 12.961 12.527 -5.292 1.00 0.00 O ATOM 0 H GLU A 36 10.568 7.126 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 36 10.974 9.254 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.182 10.204 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.138 8.849 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.075 9.570 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.189 10.301 -6.428 1.00 0.00 H new ATOM 552 N SER A 37 12.988 8.103 -7.767 1.00 0.00 N ATOM 553 CA SER A 37 14.087 7.311 -8.385 1.00 0.00 C ATOM 554 C SER A 37 15.187 8.258 -8.870 1.00 0.00 C ATOM 555 O SER A 37 15.110 9.457 -8.691 1.00 0.00 O ATOM 556 CB SER A 37 13.539 6.517 -9.572 1.00 0.00 C ATOM 557 OG SER A 37 12.898 5.341 -9.096 1.00 0.00 O ATOM 0 H SER A 37 12.668 8.902 -8.314 1.00 0.00 H new ATOM 0 HA SER A 37 14.498 6.623 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.833 7.126 -10.137 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.349 6.253 -10.253 1.00 0.00 H new ATOM 0 HG SER A 37 13.372 4.552 -9.431 1.00 0.00 H new ATOM 563 N ALA A 38 16.212 7.729 -9.481 1.00 0.00 N ATOM 564 CA ALA A 38 17.314 8.600 -9.975 1.00 0.00 C ATOM 565 C ALA A 38 16.773 9.553 -11.043 1.00 0.00 C ATOM 566 O ALA A 38 17.392 10.544 -11.377 1.00 0.00 O ATOM 567 CB ALA A 38 18.419 7.731 -10.581 1.00 0.00 C ATOM 0 H ALA A 38 16.333 6.732 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 38 17.719 9.178 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.226 8.368 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.806 7.052 -9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.013 7.153 -11.411 1.00 0.00 H new ATOM 573 N LYS A 39 15.620 9.263 -11.581 1.00 0.00 N ATOM 574 CA LYS A 39 15.040 10.152 -12.626 1.00 0.00 C ATOM 575 C LYS A 39 14.292 11.306 -11.955 1.00 0.00 C ATOM 576 O LYS A 39 14.557 12.463 -12.213 1.00 0.00 O ATOM 577 CB LYS A 39 14.068 9.352 -13.496 1.00 0.00 C ATOM 578 CG LYS A 39 14.847 8.328 -14.323 1.00 0.00 C ATOM 579 CD LYS A 39 13.899 7.222 -14.792 1.00 0.00 C ATOM 580 CE LYS A 39 14.065 7.013 -16.297 1.00 0.00 C ATOM 581 NZ LYS A 39 12.735 7.117 -16.963 1.00 0.00 N ATOM 0 H LYS A 39 15.055 8.448 -11.342 1.00 0.00 H new ATOM 0 HA LYS A 39 15.841 10.550 -13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.334 8.846 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.516 10.023 -14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.309 8.814 -15.182 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.654 7.901 -13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.113 6.295 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.868 7.491 -14.563 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.747 7.758 -16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.506 6.036 -16.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.847 6.975 -17.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.097 6.390 -16.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.331 8.059 -16.787 1.00 0.00 H new ATOM 595 N ALA A 40 13.358 11.000 -11.096 1.00 0.00 N ATOM 596 CA ALA A 40 12.594 12.081 -10.411 1.00 0.00 C ATOM 597 C ALA A 40 11.520 11.458 -9.517 1.00 0.00 C ATOM 598 O ALA A 40 11.389 10.254 -9.435 1.00 0.00 O ATOM 599 CB ALA A 40 11.930 12.979 -11.456 1.00 0.00 C ATOM 0 H ALA A 40 13.091 10.050 -10.839 1.00 0.00 H new ATOM 0 HA ALA A 40 13.274 12.676 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.371 13.769 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.695 13.423 -12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.250 12.385 -12.067 1.00 0.00 H new ATOM 605 N SER A 41 10.749 12.270 -8.847 1.00 0.00 N ATOM 606 CA SER A 41 9.683 11.723 -7.960 1.00 0.00 C ATOM 607 C SER A 41 8.354 11.698 -8.715 1.00 0.00 C ATOM 608 O SER A 41 7.712 12.714 -8.897 1.00 0.00 O ATOM 609 CB SER A 41 9.548 12.610 -6.720 1.00 0.00 C ATOM 610 OG SER A 41 10.843 12.991 -6.273 1.00 0.00 O ATOM 0 H SER A 41 10.811 13.288 -8.875 1.00 0.00 H new ATOM 0 HA SER A 41 9.947 10.710 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.956 13.495 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.021 12.074 -5.931 1.00 0.00 H new ATOM 0 HG SER A 41 11.377 12.189 -6.097 1.00 0.00 H new ATOM 616 N MET A 42 7.934 10.545 -9.158 1.00 0.00 N ATOM 617 CA MET A 42 6.646 10.456 -9.902 1.00 0.00 C ATOM 618 C MET A 42 5.517 10.111 -8.929 1.00 0.00 C ATOM 619 O MET A 42 5.708 10.071 -7.730 1.00 0.00 O ATOM 620 CB MET A 42 6.749 9.365 -10.970 1.00 0.00 C ATOM 621 CG MET A 42 6.364 9.944 -12.332 1.00 0.00 C ATOM 622 SD MET A 42 5.327 8.755 -13.222 1.00 0.00 S ATOM 623 CE MET A 42 5.859 9.197 -14.894 1.00 0.00 C ATOM 0 H MET A 42 8.427 9.660 -9.037 1.00 0.00 H new ATOM 0 HA MET A 42 6.435 11.413 -10.378 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.765 8.971 -11.005 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.092 8.532 -10.718 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.828 10.884 -12.201 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.260 10.166 -12.911 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.335 8.574 -15.619 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.630 10.246 -15.083 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.933 9.038 -14.988 1.00 0.00 H new ATOM 633 N GLU A 43 4.339 9.863 -9.435 1.00 0.00 N ATOM 634 CA GLU A 43 3.200 9.522 -8.537 1.00 0.00 C ATOM 635 C GLU A 43 2.592 8.186 -8.969 1.00 0.00 C ATOM 636 O GLU A 43 2.804 7.725 -10.074 1.00 0.00 O ATOM 637 CB GLU A 43 2.136 10.619 -8.624 1.00 0.00 C ATOM 638 CG GLU A 43 1.312 10.635 -7.335 1.00 0.00 C ATOM 639 CD GLU A 43 1.117 12.080 -6.871 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.984 12.892 -7.148 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.103 12.349 -6.248 1.00 0.00 O ATOM 0 H GLU A 43 4.117 9.882 -10.430 1.00 0.00 H new ATOM 0 HA GLU A 43 3.558 9.443 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.610 11.589 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.486 10.443 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.344 10.162 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.818 10.058 -6.560 1.00 0.00 H new ATOM 648 N VAL A 44 1.836 7.560 -8.109 1.00 0.00 N ATOM 649 CA VAL A 44 1.215 6.256 -8.471 1.00 0.00 C ATOM 650 C VAL A 44 -0.177 6.163 -7.837 1.00 0.00 C ATOM 651 O VAL A 44 -0.306 5.810 -6.682 1.00 0.00 O ATOM 652 CB VAL A 44 2.090 5.115 -7.946 1.00 0.00 C ATOM 653 CG1 VAL A 44 1.585 3.785 -8.507 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.537 5.338 -8.392 1.00 0.00 C ATOM 0 H VAL A 44 1.622 7.896 -7.170 1.00 0.00 H new ATOM 0 HA VAL A 44 1.128 6.180 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 44 2.043 5.092 -6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.208 2.972 -8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.554 3.626 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.633 3.808 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.162 4.526 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.583 5.360 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.898 6.286 -7.994 1.00 0.00 H new ATOM 664 N PRO A 45 -1.181 6.484 -8.615 1.00 0.00 N ATOM 665 CA PRO A 45 -2.580 6.450 -8.158 1.00 0.00 C ATOM 666 C PRO A 45 -3.098 5.010 -8.126 1.00 0.00 C ATOM 667 O PRO A 45 -2.345 4.065 -8.253 1.00 0.00 O ATOM 668 CB PRO A 45 -3.325 7.272 -9.211 1.00 0.00 C ATOM 669 CG PRO A 45 -2.445 7.249 -10.483 1.00 0.00 C ATOM 670 CD PRO A 45 -1.015 6.909 -10.020 1.00 0.00 C ATOM 0 HA PRO A 45 -2.709 6.842 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.309 6.847 -9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.483 8.294 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.809 6.507 -11.193 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.470 8.214 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.578 6.116 -10.627 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.355 7.773 -10.100 1.00 0.00 H new ATOM 678 N SER A 46 -4.379 4.840 -7.961 1.00 0.00 N ATOM 679 CA SER A 46 -4.949 3.464 -7.923 1.00 0.00 C ATOM 680 C SER A 46 -5.224 2.989 -9.356 1.00 0.00 C ATOM 681 O SER A 46 -5.761 3.732 -10.155 1.00 0.00 O ATOM 682 CB SER A 46 -6.256 3.477 -7.128 1.00 0.00 C ATOM 683 OG SER A 46 -7.197 2.613 -7.751 1.00 0.00 O ATOM 0 H SER A 46 -5.057 5.594 -7.851 1.00 0.00 H new ATOM 0 HA SER A 46 -4.241 2.787 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.074 3.155 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.654 4.491 -7.078 1.00 0.00 H new ATOM 0 HG SER A 46 -7.943 2.445 -7.138 1.00 0.00 H new ATOM 689 N PRO A 47 -4.850 1.767 -9.640 1.00 0.00 N ATOM 690 CA PRO A 47 -5.045 1.170 -10.972 1.00 0.00 C ATOM 691 C PRO A 47 -6.497 0.716 -11.147 1.00 0.00 C ATOM 692 O PRO A 47 -6.897 0.270 -12.205 1.00 0.00 O ATOM 693 CB PRO A 47 -4.094 -0.029 -10.973 1.00 0.00 C ATOM 694 CG PRO A 47 -3.842 -0.386 -9.488 1.00 0.00 C ATOM 695 CD PRO A 47 -4.197 0.868 -8.667 1.00 0.00 C ATOM 0 HA PRO A 47 -4.844 1.866 -11.787 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.532 -0.872 -11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.160 0.216 -11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.455 -1.234 -9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.802 -0.671 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.863 0.626 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.307 1.327 -8.236 1.00 0.00 H new ATOM 703 N LYS A 48 -7.285 0.827 -10.116 1.00 0.00 N ATOM 704 CA LYS A 48 -8.710 0.404 -10.217 1.00 0.00 C ATOM 705 C LYS A 48 -9.518 1.064 -9.099 1.00 0.00 C ATOM 706 O LYS A 48 -9.053 1.210 -7.986 1.00 0.00 O ATOM 707 CB LYS A 48 -8.802 -1.117 -10.083 1.00 0.00 C ATOM 708 CG LYS A 48 -9.870 -1.651 -11.038 1.00 0.00 C ATOM 709 CD LYS A 48 -9.744 -3.171 -11.151 1.00 0.00 C ATOM 710 CE LYS A 48 -10.843 -3.709 -12.068 1.00 0.00 C ATOM 711 NZ LYS A 48 -10.528 -5.115 -12.448 1.00 0.00 N ATOM 0 H LYS A 48 -7.004 1.193 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.111 0.708 -11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.837 -1.571 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.049 -1.388 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.863 -1.384 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.756 -1.193 -12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.764 -3.437 -11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.824 -3.627 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.808 -3.665 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.923 -3.089 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.275 -5.482 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.616 -5.144 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.473 -5.702 -11.591 1.00 0.00 H new ATOM 725 N ALA A 49 -10.728 1.464 -9.384 1.00 0.00 N ATOM 726 CA ALA A 49 -11.564 2.113 -8.337 1.00 0.00 C ATOM 727 C ALA A 49 -12.151 1.039 -7.417 1.00 0.00 C ATOM 728 O ALA A 49 -13.187 0.469 -7.696 1.00 0.00 O ATOM 729 CB ALA A 49 -12.701 2.893 -9.000 1.00 0.00 C ATOM 0 H ALA A 49 -11.172 1.369 -10.297 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.948 2.797 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.312 3.368 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.284 3.657 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.318 2.211 -9.585 1.00 0.00 H new ATOM 735 N GLY A 50 -11.497 0.759 -6.322 1.00 0.00 N ATOM 736 CA GLY A 50 -12.019 -0.278 -5.388 1.00 0.00 C ATOM 737 C GLY A 50 -11.578 0.051 -3.960 1.00 0.00 C ATOM 738 O GLY A 50 -10.987 1.082 -3.705 1.00 0.00 O ATOM 0 H GLY A 50 -10.625 1.203 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.107 -0.318 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.649 -1.262 -5.677 1.00 0.00 H new ATOM 742 N VAL A 51 -11.861 -0.815 -3.027 1.00 0.00 N ATOM 743 CA VAL A 51 -11.458 -0.550 -1.617 1.00 0.00 C ATOM 744 C VAL A 51 -10.235 -1.401 -1.266 1.00 0.00 C ATOM 745 O VAL A 51 -10.152 -2.561 -1.618 1.00 0.00 O ATOM 746 CB VAL A 51 -12.613 -0.909 -0.681 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.842 -2.421 -0.708 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.269 -0.472 0.744 1.00 0.00 C ATOM 0 H VAL A 51 -12.354 -1.695 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.211 0.505 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.518 -0.399 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.665 -2.676 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.087 -2.734 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.937 -2.932 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.092 -0.728 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.363 -0.982 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.106 0.606 0.765 1.00 0.00 H new ATOM 758 N VAL A 52 -9.285 -0.833 -0.575 1.00 0.00 N ATOM 759 CA VAL A 52 -8.069 -1.610 -0.204 1.00 0.00 C ATOM 760 C VAL A 52 -8.465 -2.769 0.713 1.00 0.00 C ATOM 761 O VAL A 52 -9.178 -2.591 1.682 1.00 0.00 O ATOM 762 CB VAL A 52 -7.084 -0.695 0.527 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.959 -1.537 1.134 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.489 0.307 -0.464 1.00 0.00 C ATOM 0 H VAL A 52 -9.298 0.134 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.600 -2.004 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.606 -0.159 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.257 -0.885 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.381 -2.253 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.437 -2.073 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.787 0.959 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.967 -0.230 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.288 0.907 -0.899 1.00 0.00 H new ATOM 774 N LYS A 53 -8.011 -3.955 0.417 1.00 0.00 N ATOM 775 CA LYS A 53 -8.362 -5.124 1.272 1.00 0.00 C ATOM 776 C LYS A 53 -7.199 -5.435 2.215 1.00 0.00 C ATOM 777 O LYS A 53 -7.385 -5.964 3.293 1.00 0.00 O ATOM 778 CB LYS A 53 -8.639 -6.339 0.385 1.00 0.00 C ATOM 779 CG LYS A 53 -9.610 -7.283 1.099 1.00 0.00 C ATOM 780 CD LYS A 53 -8.841 -8.484 1.652 1.00 0.00 C ATOM 781 CE LYS A 53 -9.829 -9.521 2.189 1.00 0.00 C ATOM 782 NZ LYS A 53 -9.387 -9.978 3.537 1.00 0.00 N ATOM 0 H LYS A 53 -7.411 -4.166 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.251 -4.891 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.061 -6.018 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.708 -6.859 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.115 -6.757 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.382 -7.619 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.224 -8.926 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.167 -8.163 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.828 -9.090 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.888 -10.369 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.059 -10.683 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.441 -10.405 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.352 -9.165 4.185 1.00 0.00 H new ATOM 796 N SER A 54 -5.998 -5.111 1.820 1.00 0.00 N ATOM 797 CA SER A 54 -4.825 -5.389 2.694 1.00 0.00 C ATOM 798 C SER A 54 -3.602 -4.639 2.163 1.00 0.00 C ATOM 799 O SER A 54 -3.631 -4.068 1.090 1.00 0.00 O ATOM 800 CB SER A 54 -4.538 -6.890 2.699 1.00 0.00 C ATOM 801 OG SER A 54 -5.710 -7.594 2.309 1.00 0.00 O ATOM 0 H SER A 54 -5.779 -4.665 0.929 1.00 0.00 H new ATOM 0 HA SER A 54 -5.043 -5.056 3.709 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.719 -7.118 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.222 -7.208 3.693 1.00 0.00 H new ATOM 0 HG SER A 54 -5.529 -8.557 2.310 1.00 0.00 H new ATOM 807 N VAL A 55 -2.528 -4.635 2.903 1.00 0.00 N ATOM 808 CA VAL A 55 -1.306 -3.922 2.439 1.00 0.00 C ATOM 809 C VAL A 55 -0.090 -4.837 2.598 1.00 0.00 C ATOM 810 O VAL A 55 0.307 -5.173 3.696 1.00 0.00 O ATOM 811 CB VAL A 55 -1.104 -2.657 3.276 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.264 -2.049 2.962 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.201 -1.644 2.940 1.00 0.00 C ATOM 0 H VAL A 55 -2.444 -5.095 3.809 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.422 -3.649 1.390 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.154 -2.911 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.407 -1.148 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.046 -2.770 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.315 -1.795 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.058 -0.742 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.151 -1.391 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.176 -2.076 3.164 1.00 0.00 H new ATOM 823 N SER A 56 0.504 -5.244 1.510 1.00 0.00 N ATOM 824 CA SER A 56 1.693 -6.138 1.598 1.00 0.00 C ATOM 825 C SER A 56 2.967 -5.309 1.435 1.00 0.00 C ATOM 826 O SER A 56 4.008 -5.818 1.067 1.00 0.00 O ATOM 827 CB SER A 56 1.623 -7.191 0.492 1.00 0.00 C ATOM 828 OG SER A 56 2.916 -7.747 0.290 1.00 0.00 O ATOM 0 H SER A 56 0.217 -4.996 0.563 1.00 0.00 H new ATOM 0 HA SER A 56 1.704 -6.633 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.916 -7.975 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.260 -6.741 -0.432 1.00 0.00 H new ATOM 0 HG SER A 56 3.519 -7.056 -0.055 1.00 0.00 H new ATOM 834 N VAL A 57 2.896 -4.034 1.704 1.00 0.00 N ATOM 835 CA VAL A 57 4.106 -3.174 1.563 1.00 0.00 C ATOM 836 C VAL A 57 4.106 -2.110 2.663 1.00 0.00 C ATOM 837 O VAL A 57 3.132 -1.930 3.365 1.00 0.00 O ATOM 838 CB VAL A 57 4.089 -2.491 0.194 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.068 -3.553 -0.907 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.839 -1.614 0.078 1.00 0.00 C ATOM 0 H VAL A 57 2.053 -3.551 2.015 1.00 0.00 H new ATOM 0 HA VAL A 57 5.002 -3.789 1.652 1.00 0.00 H new ATOM 0 HB VAL A 57 4.980 -1.873 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.056 -3.066 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.956 -4.179 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.177 -4.171 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.826 -1.127 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.949 -2.233 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.852 -0.857 0.862 1.00 0.00 H new ATOM 850 N LYS A 58 5.192 -1.405 2.818 1.00 0.00 N ATOM 851 CA LYS A 58 5.255 -0.355 3.873 1.00 0.00 C ATOM 852 C LYS A 58 5.804 0.941 3.271 1.00 0.00 C ATOM 853 O LYS A 58 6.249 0.971 2.141 1.00 0.00 O ATOM 854 CB LYS A 58 6.174 -0.821 5.004 1.00 0.00 C ATOM 855 CG LYS A 58 5.439 -0.700 6.342 1.00 0.00 C ATOM 856 CD LYS A 58 5.797 -1.893 7.230 1.00 0.00 C ATOM 857 CE LYS A 58 7.318 -2.040 7.299 1.00 0.00 C ATOM 858 NZ LYS A 58 7.725 -3.307 6.629 1.00 0.00 N ATOM 0 H LYS A 58 6.039 -1.511 2.260 1.00 0.00 H new ATOM 0 HA LYS A 58 4.255 -0.177 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.479 -1.854 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.082 -0.219 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.714 0.231 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.362 -0.667 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.389 -1.750 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.351 -2.804 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.799 -1.190 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.647 -2.044 8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.603 -3.150 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.883 -4.044 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.973 -3.613 5.978 1.00 0.00 H new ATOM 872 N LEU A 59 5.775 2.011 4.017 1.00 0.00 N ATOM 873 CA LEU A 59 6.295 3.303 3.487 1.00 0.00 C ATOM 874 C LEU A 59 7.821 3.321 3.590 1.00 0.00 C ATOM 875 O LEU A 59 8.392 2.880 4.568 1.00 0.00 O ATOM 876 CB LEU A 59 5.716 4.460 4.303 1.00 0.00 C ATOM 877 CG LEU A 59 6.296 4.428 5.717 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.643 5.152 5.733 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.332 5.126 6.679 1.00 0.00 C ATOM 0 H LEU A 59 5.414 2.046 4.970 1.00 0.00 H new ATOM 0 HA LEU A 59 6.000 3.411 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.951 5.410 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.629 4.383 4.342 1.00 0.00 H new ATOM 0 HG LEU A 59 6.436 3.393 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.056 5.129 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.331 4.656 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.503 6.187 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.745 5.104 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.192 6.161 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.371 4.611 6.669 1.00 0.00 H new ATOM 891 N GLY A 60 8.488 3.826 2.588 1.00 0.00 N ATOM 892 CA GLY A 60 9.977 3.873 2.631 1.00 0.00 C ATOM 893 C GLY A 60 10.545 2.545 2.126 1.00 0.00 C ATOM 894 O GLY A 60 11.728 2.418 1.880 1.00 0.00 O ATOM 0 H GLY A 60 8.066 4.208 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.343 4.695 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.316 4.062 3.650 1.00 0.00 H new ATOM 898 N ASP A 61 9.711 1.554 1.968 1.00 0.00 N ATOM 899 CA ASP A 61 10.204 0.235 1.479 1.00 0.00 C ATOM 900 C ASP A 61 10.596 0.354 0.004 1.00 0.00 C ATOM 901 O ASP A 61 9.904 0.967 -0.785 1.00 0.00 O ATOM 902 CB ASP A 61 9.098 -0.811 1.630 1.00 0.00 C ATOM 903 CG ASP A 61 8.827 -1.056 3.116 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.320 -0.285 3.922 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.129 -2.010 3.421 1.00 0.00 O ATOM 0 H ASP A 61 8.710 1.600 2.156 1.00 0.00 H new ATOM 0 HA ASP A 61 11.073 -0.069 2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.189 -0.469 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.394 -1.741 1.145 1.00 0.00 H new ATOM 910 N LYS A 62 11.701 -0.228 -0.374 1.00 0.00 N ATOM 911 CA LYS A 62 12.136 -0.148 -1.797 1.00 0.00 C ATOM 912 C LYS A 62 11.730 -1.430 -2.527 1.00 0.00 C ATOM 913 O LYS A 62 12.182 -2.511 -2.202 1.00 0.00 O ATOM 914 CB LYS A 62 13.656 0.014 -1.857 1.00 0.00 C ATOM 915 CG LYS A 62 14.127 0.863 -0.675 1.00 0.00 C ATOM 916 CD LYS A 62 15.499 1.461 -0.990 1.00 0.00 C ATOM 917 CE LYS A 62 16.190 1.869 0.313 1.00 0.00 C ATOM 918 NZ LYS A 62 15.394 2.935 0.984 1.00 0.00 N ATOM 0 H LYS A 62 12.321 -0.755 0.241 1.00 0.00 H new ATOM 0 HA LYS A 62 11.660 0.708 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.138 -0.963 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.945 0.487 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.409 1.659 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.183 0.252 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.110 0.734 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.389 2.327 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.289 1.005 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.198 2.229 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.948 3.343 1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.163 3.680 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.515 2.527 1.361 1.00 0.00 H new ATOM 932 N LEU A 63 10.882 -1.320 -3.512 1.00 0.00 N ATOM 933 CA LEU A 63 10.449 -2.533 -4.262 1.00 0.00 C ATOM 934 C LEU A 63 10.875 -2.405 -5.727 1.00 0.00 C ATOM 935 O LEU A 63 11.134 -1.323 -6.217 1.00 0.00 O ATOM 936 CB LEU A 63 8.927 -2.665 -4.184 1.00 0.00 C ATOM 937 CG LEU A 63 8.555 -3.637 -3.064 1.00 0.00 C ATOM 938 CD1 LEU A 63 9.028 -5.044 -3.431 1.00 0.00 C ATOM 939 CD2 LEU A 63 9.232 -3.196 -1.763 1.00 0.00 C ATOM 0 H LEU A 63 10.470 -0.443 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 63 10.913 -3.416 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.476 -1.690 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.533 -3.022 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 63 7.473 -3.641 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.763 -5.737 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.549 -5.359 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.110 -5.041 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.968 -3.888 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.314 -3.193 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.897 -2.193 -1.500 1.00 0.00 H new ATOM 951 N LYS A 64 10.950 -3.502 -6.429 1.00 0.00 N ATOM 952 CA LYS A 64 11.359 -3.443 -7.861 1.00 0.00 C ATOM 953 C LYS A 64 10.170 -3.819 -8.747 1.00 0.00 C ATOM 954 O LYS A 64 9.384 -4.682 -8.413 1.00 0.00 O ATOM 955 CB LYS A 64 12.508 -4.425 -8.104 1.00 0.00 C ATOM 956 CG LYS A 64 13.703 -3.676 -8.698 1.00 0.00 C ATOM 957 CD LYS A 64 14.945 -4.568 -8.640 1.00 0.00 C ATOM 958 CE LYS A 64 16.197 -3.714 -8.838 1.00 0.00 C ATOM 959 NZ LYS A 64 17.316 -4.275 -8.028 1.00 0.00 N ATOM 0 H LYS A 64 10.746 -4.436 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 64 11.687 -2.432 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.795 -4.905 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.187 -5.216 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.493 -3.394 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.879 -2.753 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.991 -5.083 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.890 -5.336 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.472 -3.693 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.999 -2.685 -8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.168 -3.694 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.051 -4.273 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.511 -5.250 -8.333 1.00 0.00 H new ATOM 973 N GLU A 65 10.032 -3.175 -9.875 1.00 0.00 N ATOM 974 CA GLU A 65 8.896 -3.490 -10.783 1.00 0.00 C ATOM 975 C GLU A 65 8.712 -5.007 -10.868 1.00 0.00 C ATOM 976 O GLU A 65 9.648 -5.743 -11.105 1.00 0.00 O ATOM 977 CB GLU A 65 9.188 -2.934 -12.177 1.00 0.00 C ATOM 978 CG GLU A 65 8.523 -1.564 -12.331 1.00 0.00 C ATOM 979 CD GLU A 65 8.835 -0.997 -13.717 1.00 0.00 C ATOM 980 OE1 GLU A 65 8.243 -1.468 -14.675 1.00 0.00 O ATOM 981 OE2 GLU A 65 9.660 -0.102 -13.797 1.00 0.00 O ATOM 0 H GLU A 65 10.660 -2.443 -10.206 1.00 0.00 H new ATOM 0 HA GLU A 65 7.985 -3.036 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.264 -2.846 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.815 -3.619 -12.939 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.445 -1.654 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.884 -0.884 -11.559 1.00 0.00 H new ATOM 988 N GLY A 66 7.511 -5.480 -10.676 1.00 0.00 N ATOM 989 CA GLY A 66 7.268 -6.948 -10.746 1.00 0.00 C ATOM 990 C GLY A 66 6.864 -7.467 -9.365 1.00 0.00 C ATOM 991 O GLY A 66 6.279 -8.524 -9.234 1.00 0.00 O ATOM 0 H GLY A 66 6.688 -4.913 -10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.482 -7.163 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.167 -7.460 -11.089 1.00 0.00 H new ATOM 995 N ASP A 67 7.171 -6.731 -8.332 1.00 0.00 N ATOM 996 CA ASP A 67 6.805 -7.183 -6.959 1.00 0.00 C ATOM 997 C ASP A 67 5.368 -6.756 -6.649 1.00 0.00 C ATOM 998 O ASP A 67 4.965 -5.645 -6.928 1.00 0.00 O ATOM 999 CB ASP A 67 7.755 -6.548 -5.943 1.00 0.00 C ATOM 1000 CG ASP A 67 8.976 -7.449 -5.752 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.029 -8.484 -6.396 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.837 -7.090 -4.966 1.00 0.00 O ATOM 0 H ASP A 67 7.659 -5.837 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 67 6.883 -8.269 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.068 -5.563 -6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.243 -6.405 -4.991 1.00 0.00 H new ATOM 1007 N ALA A 68 4.591 -7.633 -6.073 1.00 0.00 N ATOM 1008 CA ALA A 68 3.181 -7.276 -5.745 1.00 0.00 C ATOM 1009 C ALA A 68 3.166 -6.066 -4.809 1.00 0.00 C ATOM 1010 O ALA A 68 4.182 -5.674 -4.268 1.00 0.00 O ATOM 1011 CB ALA A 68 2.503 -8.462 -5.056 1.00 0.00 C ATOM 0 H ALA A 68 4.871 -8.580 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 68 2.644 -7.032 -6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.472 -8.202 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.514 -9.325 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.039 -8.705 -4.139 1.00 0.00 H new ATOM 1017 N ILE A 69 2.022 -5.470 -4.614 1.00 0.00 N ATOM 1018 CA ILE A 69 1.943 -4.285 -3.713 1.00 0.00 C ATOM 1019 C ILE A 69 0.742 -4.435 -2.778 1.00 0.00 C ATOM 1020 O ILE A 69 0.889 -4.596 -1.582 1.00 0.00 O ATOM 1021 CB ILE A 69 1.780 -3.017 -4.552 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.015 -2.829 -5.435 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.627 -1.808 -3.627 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.240 -2.576 -4.553 1.00 0.00 C ATOM 0 H ILE A 69 1.139 -5.752 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 69 2.857 -4.216 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 69 0.893 -3.108 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.173 -3.715 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.864 -1.991 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.511 -0.904 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.748 -1.941 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.513 -1.716 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.120 -2.442 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.080 -1.678 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.394 -3.428 -3.891 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.448 -4.386 -3.311 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.657 -4.526 -2.453 1.00 0.00 C ATOM 1038 C ILE A 70 -2.743 -5.280 -3.222 1.00 0.00 C ATOM 1039 O ILE A 70 -2.521 -5.767 -4.312 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.175 -3.138 -2.069 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.116 -2.219 -3.292 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.302 -2.557 -0.955 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.504 -1.633 -3.557 1.00 0.00 C ATOM 0 H ILE A 70 -0.635 -4.255 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.399 -5.080 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.204 -3.217 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.397 -1.417 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.773 -2.777 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.671 -1.568 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.339 -3.212 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.273 -2.476 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.462 -0.979 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.211 -2.442 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.829 -1.061 -2.688 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.918 -5.378 -2.662 1.00 0.00 N ATOM 1056 CA GLU A 71 -5.018 -6.101 -3.362 1.00 0.00 C ATOM 1057 C GLU A 71 -6.298 -5.264 -3.302 1.00 0.00 C ATOM 1058 O GLU A 71 -6.789 -4.942 -2.239 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.258 -7.449 -2.681 1.00 0.00 C ATOM 1060 CG GLU A 71 -4.275 -8.484 -3.233 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.050 -9.655 -3.837 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -6.191 -9.450 -4.221 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -4.492 -10.738 -3.905 1.00 0.00 O ATOM 0 H GLU A 71 -4.164 -4.989 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.739 -6.265 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.131 -7.351 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.283 -7.778 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.637 -8.027 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.620 -8.840 -2.437 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.842 -4.911 -4.434 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.089 -4.095 -4.438 1.00 0.00 C ATOM 1072 C LEU A 72 -9.303 -5.021 -4.538 1.00 0.00 C ATOM 1073 O LEU A 72 -9.325 -5.951 -5.319 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.072 -3.146 -5.638 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.426 -2.443 -5.755 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.207 -0.949 -5.996 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.208 -3.038 -6.928 1.00 0.00 C ATOM 0 H LEU A 72 -6.477 -5.152 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.148 -3.516 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.277 -2.409 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.859 -3.702 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.989 -2.583 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.172 -0.449 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.649 -0.524 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.644 -0.808 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.173 -2.538 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.644 -2.897 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.365 -4.103 -6.758 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.315 -4.776 -3.751 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.526 -5.642 -3.800 1.00 0.00 C ATOM 1091 C GLU A 73 -12.720 -4.824 -4.306 1.00 0.00 C ATOM 1092 O GLU A 73 -13.443 -4.239 -3.524 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.830 -6.175 -2.398 1.00 0.00 C ATOM 1094 CG GLU A 73 -13.016 -7.139 -2.465 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.801 -8.284 -1.474 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.157 -8.119 -0.319 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.282 -9.308 -1.888 1.00 0.00 O ATOM 0 H GLU A 73 -10.355 -4.013 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.347 -6.479 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.956 -6.685 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.057 -5.349 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.941 -6.611 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.121 -7.534 -3.476 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.887 -4.813 -5.603 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.984 -4.077 -6.255 1.00 0.00 C ATOM 1106 C PRO A 74 -15.297 -4.859 -6.134 1.00 0.00 C ATOM 1107 O PRO A 74 -15.322 -5.981 -5.673 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.536 -3.986 -7.717 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.521 -5.135 -7.934 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.998 -5.530 -6.540 1.00 0.00 C ATOM 0 HA PRO A 74 -14.170 -3.100 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.387 -4.086 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.078 -3.019 -7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.997 -5.984 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.703 -4.813 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.045 -6.608 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.957 -5.235 -6.407 1.00 0.00 H new