USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -1.57 K(o=-0.72,f=-8.6!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -150:sc= 0.851 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.0251 USER MOD Single : A 14 SER OG : rot -2:sc= 0.731! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1 K(o=-1,f=-7.3!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.389) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 71:sc= 1.13 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -0.467 (180deg=-1.46!) USER MOD Single : A 49 SER OG : rot 37:sc= -2.52! USER MOD Single : A 50 THR OG1 : rot -75:sc= 0.504 USER MOD Single : A 57 THR OG1 : rot 160:sc= -2.74! USER MOD Single : A 62 ASN : amide:sc= -1.88! C(o=-1.9!,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0473 (180deg=-0.664) USER MOD Single : A 64 SER OG : rot 180:sc= -4.22! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.833 8.914 -6.017 1.00 0.00 N ATOM 57 CA VAL A 5 9.388 9.064 -6.360 1.00 0.00 C ATOM 58 C VAL A 5 9.027 8.038 -7.441 1.00 0.00 C ATOM 59 O VAL A 5 9.728 7.893 -8.424 1.00 0.00 O ATOM 60 CB VAL A 5 9.144 10.487 -6.876 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.698 10.894 -6.603 1.00 0.00 C ATOM 62 CG2 VAL A 5 10.075 11.453 -6.143 1.00 0.00 C ATOM 0 HA VAL A 5 8.767 8.892 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 5 9.337 10.519 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.529 11.906 -6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.024 10.205 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.507 10.862 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.906 12.467 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.872 11.412 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.111 11.170 -6.327 1.00 0.00 H new ATOM 72 N SER A 6 7.953 7.307 -7.269 1.00 0.00 N ATOM 73 CA SER A 6 7.590 6.284 -8.296 1.00 0.00 C ATOM 74 C SER A 6 6.480 6.790 -9.212 1.00 0.00 C ATOM 75 O SER A 6 5.374 7.053 -8.786 1.00 0.00 O ATOM 76 CB SER A 6 7.102 4.994 -7.624 1.00 0.00 C ATOM 77 OG SER A 6 8.221 4.242 -7.174 1.00 0.00 O ATOM 0 H SER A 6 7.320 7.373 -6.472 1.00 0.00 H new ATOM 0 HA SER A 6 8.487 6.088 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.449 5.233 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.513 4.405 -8.327 1.00 0.00 H new ATOM 0 HG SER A 6 7.910 3.419 -6.743 1.00 0.00 H new ATOM 83 N LYS A 7 6.755 6.874 -10.481 1.00 0.00 N ATOM 84 CA LYS A 7 5.710 7.296 -11.445 1.00 0.00 C ATOM 85 C LYS A 7 5.209 6.023 -12.122 1.00 0.00 C ATOM 86 O LYS A 7 5.954 5.345 -12.804 1.00 0.00 O ATOM 87 CB LYS A 7 6.314 8.240 -12.487 1.00 0.00 C ATOM 88 CG LYS A 7 5.192 8.973 -13.224 1.00 0.00 C ATOM 89 CD LYS A 7 5.782 9.777 -14.384 1.00 0.00 C ATOM 90 CE LYS A 7 6.321 8.819 -15.448 1.00 0.00 C ATOM 91 NZ LYS A 7 5.655 9.098 -16.751 1.00 0.00 N ATOM 0 H LYS A 7 7.665 6.667 -10.893 1.00 0.00 H new ATOM 0 HA LYS A 7 4.898 7.824 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.975 8.959 -12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.921 7.676 -13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.461 8.257 -13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.665 9.637 -12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.019 10.425 -14.816 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.582 10.423 -14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.400 8.938 -15.546 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.140 7.787 -15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.021 8.447 -17.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.628 8.964 -16.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.850 10.079 -17.037 1.00 0.00 H new ATOM 105 N LEU A 8 3.980 5.644 -11.912 1.00 0.00 N ATOM 106 CA LEU A 8 3.526 4.372 -12.533 1.00 0.00 C ATOM 107 C LEU A 8 2.342 4.571 -13.468 1.00 0.00 C ATOM 108 O LEU A 8 1.535 5.469 -13.316 1.00 0.00 O ATOM 109 CB LEU A 8 3.089 3.379 -11.454 1.00 0.00 C ATOM 110 CG LEU A 8 3.920 3.551 -10.187 1.00 0.00 C ATOM 111 CD1 LEU A 8 3.420 2.556 -9.139 1.00 0.00 C ATOM 112 CD2 LEU A 8 5.394 3.277 -10.494 1.00 0.00 C ATOM 0 H LEU A 8 3.288 6.144 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 8 4.375 3.994 -13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.034 3.527 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.195 2.360 -11.827 1.00 0.00 H new ATOM 0 HG LEU A 8 3.821 4.570 -9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.004 2.666 -8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.370 2.752 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.529 1.541 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.984 3.401 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.505 2.257 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.744 3.977 -11.252 1.00 0.00 H new ATOM 124 N ARG A 9 2.217 3.665 -14.396 1.00 0.00 N ATOM 125 CA ARG A 9 1.074 3.672 -15.338 1.00 0.00 C ATOM 126 C ARG A 9 0.328 2.368 -15.085 1.00 0.00 C ATOM 127 O ARG A 9 0.790 1.301 -15.439 1.00 0.00 O ATOM 128 CB ARG A 9 1.578 3.709 -16.781 1.00 0.00 C ATOM 129 CG ARG A 9 2.222 5.065 -17.065 1.00 0.00 C ATOM 130 CD ARG A 9 2.297 5.287 -18.576 1.00 0.00 C ATOM 131 NE ARG A 9 3.378 4.436 -19.149 1.00 0.00 N ATOM 132 CZ ARG A 9 4.134 4.898 -20.108 1.00 0.00 C ATOM 133 NH1 ARG A 9 5.400 5.125 -19.889 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.623 5.136 -21.285 1.00 0.00 N ATOM 0 H ARG A 9 2.879 2.902 -14.541 1.00 0.00 H new ATOM 0 HA ARG A 9 0.437 4.544 -15.190 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.301 2.910 -16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.751 3.536 -17.470 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.641 5.860 -16.598 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.221 5.103 -16.631 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.341 5.040 -19.039 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.494 6.337 -18.791 1.00 0.00 H new ATOM 0 HE ARG A 9 3.527 3.492 -18.792 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.799 4.942 -18.968 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.990 5.486 -20.638 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.633 4.961 -21.456 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.214 5.497 -22.034 1.00 0.00 H new ATOM 148 N ILE A 10 -0.788 2.428 -14.428 1.00 0.00 N ATOM 149 CA ILE A 10 -1.509 1.169 -14.110 1.00 0.00 C ATOM 150 C ILE A 10 -2.669 0.974 -15.090 1.00 0.00 C ATOM 151 O ILE A 10 -3.641 1.691 -15.076 1.00 0.00 O ATOM 152 CB ILE A 10 -2.004 1.247 -12.660 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.914 1.902 -11.793 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.280 -0.161 -12.129 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.548 2.535 -10.560 1.00 0.00 C ATOM 0 H ILE A 10 -1.232 3.285 -14.098 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.846 0.310 -14.211 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.921 1.835 -12.623 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.178 1.156 -11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.383 2.659 -12.370 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.631 -0.099 -11.099 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.042 -0.639 -12.744 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.363 -0.750 -12.165 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.773 2.997 -9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.267 3.294 -10.869 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.058 1.767 -9.978 1.00 0.00 H new ATOM 167 N ARG A 11 -2.562 0.007 -15.959 1.00 0.00 N ATOM 168 CA ARG A 11 -3.644 -0.226 -16.954 1.00 0.00 C ATOM 169 C ARG A 11 -4.710 -1.156 -16.355 1.00 0.00 C ATOM 170 O ARG A 11 -4.424 -1.998 -15.526 1.00 0.00 O ATOM 171 CB ARG A 11 -3.022 -0.836 -18.229 1.00 0.00 C ATOM 172 CG ARG A 11 -3.877 -1.986 -18.775 1.00 0.00 C ATOM 173 CD ARG A 11 -3.564 -3.260 -17.991 1.00 0.00 C ATOM 174 NE ARG A 11 -2.531 -4.050 -18.719 1.00 0.00 N ATOM 175 CZ ARG A 11 -2.620 -5.352 -18.768 1.00 0.00 C ATOM 176 NH1 ARG A 11 -3.286 -5.994 -17.849 1.00 0.00 N ATOM 177 NH2 ARG A 11 -2.043 -6.010 -19.736 1.00 0.00 N ATOM 0 H ARG A 11 -1.770 -0.633 -16.022 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.130 0.715 -17.213 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.920 -0.063 -18.991 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.019 -1.200 -18.008 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.936 -1.742 -18.687 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.671 -2.137 -19.835 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.207 -3.007 -16.993 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.469 -3.854 -17.865 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.755 -3.574 -19.179 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.737 -5.479 -17.093 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.356 -7.011 -17.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.522 -5.507 -20.455 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.113 -7.027 -19.774 1.00 0.00 H new ATOM 191 N THR A 12 -5.935 -1.001 -16.777 1.00 0.00 N ATOM 192 CA THR A 12 -7.031 -1.862 -16.247 1.00 0.00 C ATOM 193 C THR A 12 -7.446 -2.868 -17.328 1.00 0.00 C ATOM 194 O THR A 12 -6.883 -2.879 -18.405 1.00 0.00 O ATOM 195 CB THR A 12 -8.238 -0.991 -15.868 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.224 -1.077 -16.887 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.807 0.470 -15.698 1.00 0.00 C ATOM 0 H THR A 12 -6.226 -0.311 -17.470 1.00 0.00 H new ATOM 0 HA THR A 12 -6.681 -2.394 -15.362 1.00 0.00 H new ATOM 0 HB THR A 12 -8.650 -1.351 -14.925 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.053 -0.656 -16.576 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.672 1.076 -15.430 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.057 0.539 -14.910 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.384 0.836 -16.634 1.00 0.00 H new ATOM 205 N PRO A 13 -8.418 -3.686 -17.009 1.00 0.00 N ATOM 206 CA PRO A 13 -8.926 -4.709 -17.939 1.00 0.00 C ATOM 207 C PRO A 13 -9.877 -4.075 -18.959 1.00 0.00 C ATOM 208 O PRO A 13 -10.197 -4.663 -19.973 1.00 0.00 O ATOM 209 CB PRO A 13 -9.673 -5.684 -17.026 1.00 0.00 C ATOM 210 CG PRO A 13 -10.035 -4.895 -15.744 1.00 0.00 C ATOM 211 CD PRO A 13 -9.099 -3.673 -15.696 1.00 0.00 C ATOM 0 HA PRO A 13 -8.140 -5.194 -18.517 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.570 -6.063 -17.515 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.051 -6.547 -16.788 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.079 -4.582 -15.764 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.906 -5.516 -14.858 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.658 -2.749 -15.546 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.385 -3.750 -14.876 1.00 0.00 H new ATOM 219 N SER A 14 -10.329 -2.878 -18.698 1.00 0.00 N ATOM 220 CA SER A 14 -11.256 -2.207 -19.652 1.00 0.00 C ATOM 221 C SER A 14 -10.456 -1.304 -20.595 1.00 0.00 C ATOM 222 O SER A 14 -11.013 -0.585 -21.400 1.00 0.00 O ATOM 223 CB SER A 14 -12.264 -1.363 -18.871 1.00 0.00 C ATOM 224 OG SER A 14 -12.944 -0.493 -19.768 1.00 0.00 O ATOM 0 H SER A 14 -10.096 -2.337 -17.866 1.00 0.00 H new ATOM 0 HA SER A 14 -11.785 -2.960 -20.235 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.979 -2.009 -18.361 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.752 -0.784 -18.102 1.00 0.00 H new ATOM 0 HG SER A 14 -12.582 -0.607 -20.672 1.00 0.00 H new ATOM 230 N GLY A 15 -9.154 -1.336 -20.504 1.00 0.00 N ATOM 231 CA GLY A 15 -8.324 -0.479 -21.399 1.00 0.00 C ATOM 232 C GLY A 15 -8.102 0.885 -20.742 1.00 0.00 C ATOM 233 O GLY A 15 -7.834 1.866 -21.405 1.00 0.00 O ATOM 0 H GLY A 15 -8.630 -1.917 -19.850 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.366 -0.960 -21.594 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.820 -0.354 -22.362 1.00 0.00 H new ATOM 237 N GLU A 16 -8.214 0.953 -19.444 1.00 0.00 N ATOM 238 CA GLU A 16 -8.011 2.255 -18.747 1.00 0.00 C ATOM 239 C GLU A 16 -6.565 2.357 -18.260 1.00 0.00 C ATOM 240 O GLU A 16 -5.821 1.395 -18.283 1.00 0.00 O ATOM 241 CB GLU A 16 -8.958 2.345 -17.549 1.00 0.00 C ATOM 242 CG GLU A 16 -9.967 3.472 -17.776 1.00 0.00 C ATOM 243 CD GLU A 16 -11.370 2.984 -17.409 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.631 2.827 -16.227 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.159 2.775 -18.315 1.00 0.00 O ATOM 0 H GLU A 16 -8.437 0.165 -18.836 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.219 3.071 -19.439 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.480 1.398 -17.413 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.390 2.530 -16.637 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.702 4.339 -17.170 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.943 3.792 -18.818 1.00 0.00 H new ATOM 252 N PHE A 17 -6.160 3.515 -17.815 1.00 0.00 N ATOM 253 CA PHE A 17 -4.764 3.684 -17.323 1.00 0.00 C ATOM 254 C PHE A 17 -4.753 4.685 -16.166 1.00 0.00 C ATOM 255 O PHE A 17 -5.197 5.807 -16.302 1.00 0.00 O ATOM 256 CB PHE A 17 -3.887 4.222 -18.458 1.00 0.00 C ATOM 257 CG PHE A 17 -2.922 3.154 -18.914 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.809 2.829 -18.128 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.138 2.491 -20.129 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.913 1.843 -18.557 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.242 1.504 -20.557 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.130 1.180 -19.772 1.00 0.00 C ATOM 0 H PHE A 17 -6.738 4.354 -17.771 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.379 2.722 -16.984 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.512 4.540 -19.293 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.337 5.100 -18.119 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.642 3.339 -17.191 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.996 2.741 -20.736 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.054 1.593 -17.951 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.409 0.993 -21.493 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.439 0.419 -20.103 1.00 0.00 H new ATOM 272 N LEU A 18 -4.237 4.297 -15.031 1.00 0.00 N ATOM 273 CA LEU A 18 -4.189 5.238 -13.885 1.00 0.00 C ATOM 274 C LEU A 18 -2.764 5.746 -13.730 1.00 0.00 C ATOM 275 O LEU A 18 -1.875 5.028 -13.310 1.00 0.00 O ATOM 276 CB LEU A 18 -4.597 4.549 -12.579 1.00 0.00 C ATOM 277 CG LEU A 18 -5.893 3.765 -12.758 1.00 0.00 C ATOM 278 CD1 LEU A 18 -6.945 4.622 -13.466 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.607 2.522 -13.586 1.00 0.00 C ATOM 0 H LEU A 18 -3.849 3.371 -14.852 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.884 6.054 -14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.803 3.877 -12.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.724 5.295 -11.794 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.279 3.483 -11.778 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.863 4.046 -13.585 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.149 5.512 -12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.573 4.919 -14.447 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.528 1.954 -13.720 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.217 2.816 -14.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.871 1.904 -13.072 1.00 0.00 H new ATOM 291 N GLU A 19 -2.544 6.980 -14.052 1.00 0.00 N ATOM 292 CA GLU A 19 -1.178 7.555 -13.903 1.00 0.00 C ATOM 293 C GLU A 19 -0.998 7.943 -12.439 1.00 0.00 C ATOM 294 O GLU A 19 -1.880 8.525 -11.838 1.00 0.00 O ATOM 295 CB GLU A 19 -1.032 8.792 -14.793 1.00 0.00 C ATOM 296 CG GLU A 19 -2.285 9.661 -14.667 1.00 0.00 C ATOM 297 CD GLU A 19 -3.113 9.553 -15.949 1.00 0.00 C ATOM 298 OE1 GLU A 19 -2.836 10.298 -16.875 1.00 0.00 O ATOM 299 OE2 GLU A 19 -4.010 8.727 -15.984 1.00 0.00 O ATOM 0 H GLU A 19 -3.249 7.622 -14.414 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.422 6.829 -14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.150 9.362 -14.500 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.887 8.492 -15.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.878 9.340 -13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.004 10.699 -14.489 1.00 0.00 H new ATOM 306 N ARG A 20 0.106 7.600 -11.833 1.00 0.00 N ATOM 307 CA ARG A 20 0.255 7.938 -10.392 1.00 0.00 C ATOM 308 C ARG A 20 1.653 8.455 -10.057 1.00 0.00 C ATOM 309 O ARG A 20 2.656 7.851 -10.392 1.00 0.00 O ATOM 310 CB ARG A 20 -0.004 6.676 -9.571 1.00 0.00 C ATOM 311 CG ARG A 20 -0.271 7.031 -8.102 1.00 0.00 C ATOM 312 CD ARG A 20 -1.250 8.196 -8.002 1.00 0.00 C ATOM 313 NE ARG A 20 -1.661 8.368 -6.581 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.480 9.513 -5.981 1.00 0.00 C ATOM 315 NH1 ARG A 20 -0.694 9.588 -4.943 1.00 0.00 N ATOM 316 NH2 ARG A 20 -2.087 10.582 -6.420 1.00 0.00 N ATOM 0 H ARG A 20 0.893 7.112 -12.261 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.458 8.728 -10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.858 6.138 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.855 6.009 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.675 6.164 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.665 7.292 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.786 9.110 -8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.124 8.007 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.085 7.590 -6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.221 8.752 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.552 10.483 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.702 10.522 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.946 11.477 -5.952 1.00 0.00 H new ATOM 330 N ARG A 21 1.709 9.538 -9.330 1.00 0.00 N ATOM 331 CA ARG A 21 3.016 10.085 -8.878 1.00 0.00 C ATOM 332 C ARG A 21 3.195 9.584 -7.448 1.00 0.00 C ATOM 333 O ARG A 21 2.354 9.811 -6.602 1.00 0.00 O ATOM 334 CB ARG A 21 2.984 11.615 -8.900 1.00 0.00 C ATOM 335 CG ARG A 21 4.411 12.155 -9.028 1.00 0.00 C ATOM 336 CD ARG A 21 4.636 13.261 -7.996 1.00 0.00 C ATOM 337 NE ARG A 21 3.652 14.358 -8.220 1.00 0.00 N ATOM 338 CZ ARG A 21 3.646 15.009 -9.352 1.00 0.00 C ATOM 339 NH1 ARG A 21 4.711 15.658 -9.737 1.00 0.00 N ATOM 340 NH2 ARG A 21 2.575 15.010 -10.098 1.00 0.00 N ATOM 0 H ARG A 21 0.894 10.072 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 21 3.834 9.768 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.376 11.964 -9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.522 11.993 -7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.130 11.350 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.575 12.543 -10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.527 12.860 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.652 13.647 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 21 2.983 14.600 -7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.548 15.657 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.707 16.167 -10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.743 14.502 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.570 15.518 -10.982 1.00 0.00 H new ATOM 354 N PHE A 22 4.231 8.850 -7.174 1.00 0.00 N ATOM 355 CA PHE A 22 4.372 8.290 -5.805 1.00 0.00 C ATOM 356 C PHE A 22 5.549 8.876 -5.048 1.00 0.00 C ATOM 357 O PHE A 22 6.665 8.877 -5.518 1.00 0.00 O ATOM 358 CB PHE A 22 4.626 6.800 -5.927 1.00 0.00 C ATOM 359 CG PHE A 22 3.367 6.092 -6.335 1.00 0.00 C ATOM 360 CD1 PHE A 22 2.248 6.083 -5.491 1.00 0.00 C ATOM 361 CD2 PHE A 22 3.313 5.458 -7.577 1.00 0.00 C ATOM 362 CE1 PHE A 22 1.082 5.439 -5.904 1.00 0.00 C ATOM 363 CE2 PHE A 22 2.148 4.814 -7.982 1.00 0.00 C ATOM 364 CZ PHE A 22 1.034 4.807 -7.149 1.00 0.00 C ATOM 0 H PHE A 22 4.978 8.615 -7.828 1.00 0.00 H new ATOM 0 HA PHE A 22 3.457 8.527 -5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.410 6.616 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.982 6.405 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.288 6.571 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.177 5.467 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.215 5.429 -5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.109 4.320 -8.942 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.128 4.311 -7.466 1.00 0.00 H new ATOM 374 N LEU A 23 5.321 9.279 -3.834 1.00 0.00 N ATOM 375 CA LEU A 23 6.441 9.768 -3.002 1.00 0.00 C ATOM 376 C LEU A 23 7.054 8.527 -2.362 1.00 0.00 C ATOM 377 O LEU A 23 6.374 7.773 -1.708 1.00 0.00 O ATOM 378 CB LEU A 23 5.916 10.711 -1.916 1.00 0.00 C ATOM 379 CG LEU A 23 6.930 11.833 -1.677 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.328 11.234 -1.514 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.923 12.788 -2.872 1.00 0.00 C ATOM 0 H LEU A 23 4.406 9.290 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 23 7.171 10.320 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.957 11.132 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.745 10.159 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 23 6.661 12.378 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.049 12.034 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.335 10.552 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.598 10.689 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.645 13.587 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.192 12.242 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.928 13.216 -2.989 1.00 0.00 H new ATOM 393 N ALA A 24 8.306 8.279 -2.586 1.00 0.00 N ATOM 394 CA ALA A 24 8.941 7.047 -2.018 1.00 0.00 C ATOM 395 C ALA A 24 8.400 6.727 -0.613 1.00 0.00 C ATOM 396 O ALA A 24 8.340 5.574 -0.211 1.00 0.00 O ATOM 397 CB ALA A 24 10.451 7.262 -1.943 1.00 0.00 C ATOM 0 H ALA A 24 8.926 8.871 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 24 8.703 6.205 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.925 6.371 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.842 7.451 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.665 8.117 -1.302 1.00 0.00 H new ATOM 403 N SER A 25 8.016 7.725 0.140 1.00 0.00 N ATOM 404 CA SER A 25 7.497 7.467 1.519 1.00 0.00 C ATOM 405 C SER A 25 5.990 7.182 1.485 1.00 0.00 C ATOM 406 O SER A 25 5.353 7.049 2.511 1.00 0.00 O ATOM 407 CB SER A 25 7.759 8.694 2.393 1.00 0.00 C ATOM 408 OG SER A 25 7.140 9.830 1.805 1.00 0.00 O ATOM 0 H SER A 25 8.039 8.706 -0.138 1.00 0.00 H new ATOM 0 HA SER A 25 8.009 6.597 1.930 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.367 8.530 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.831 8.861 2.493 1.00 0.00 H new ATOM 0 HG SER A 25 7.305 10.618 2.364 1.00 0.00 H new ATOM 414 N ASN A 26 5.415 7.090 0.319 1.00 0.00 N ATOM 415 CA ASN A 26 3.952 6.816 0.225 1.00 0.00 C ATOM 416 C ASN A 26 3.664 5.396 0.714 1.00 0.00 C ATOM 417 O ASN A 26 4.506 4.753 1.309 1.00 0.00 O ATOM 418 CB ASN A 26 3.499 6.958 -1.229 1.00 0.00 C ATOM 419 CG ASN A 26 2.811 8.312 -1.420 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.065 9.006 -2.385 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.945 8.721 -0.534 1.00 0.00 N ATOM 0 H ASN A 26 5.895 7.193 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 26 3.409 7.529 0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.356 6.876 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.814 6.150 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.482 9.622 -0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.731 8.140 0.276 1.00 0.00 H new ATOM 428 N LYS A 27 2.479 4.900 0.471 1.00 0.00 N ATOM 429 CA LYS A 27 2.145 3.524 0.932 1.00 0.00 C ATOM 430 C LYS A 27 1.346 2.787 -0.148 1.00 0.00 C ATOM 431 O LYS A 27 0.539 3.366 -0.861 1.00 0.00 O ATOM 432 CB LYS A 27 1.314 3.603 2.215 1.00 0.00 C ATOM 433 CG LYS A 27 1.735 4.830 3.027 1.00 0.00 C ATOM 434 CD LYS A 27 1.065 6.079 2.453 1.00 0.00 C ATOM 435 CE LYS A 27 0.783 7.073 3.582 1.00 0.00 C ATOM 436 NZ LYS A 27 2.033 7.311 4.358 1.00 0.00 N ATOM 0 H LYS A 27 1.732 5.387 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 27 3.069 2.980 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.254 3.663 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.453 2.698 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.453 4.701 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.819 4.942 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.709 6.538 1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.135 5.808 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.413 8.012 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.004 6.684 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.943 8.195 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.191 6.519 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.838 7.386 3.704 1.00 0.00 H new ATOM 450 N LEU A 28 1.555 1.505 -0.269 1.00 0.00 N ATOM 451 CA LEU A 28 0.801 0.738 -1.293 1.00 0.00 C ATOM 452 C LEU A 28 -0.692 0.996 -1.091 1.00 0.00 C ATOM 453 O LEU A 28 -1.425 1.212 -2.034 1.00 0.00 O ATOM 454 CB LEU A 28 1.082 -0.753 -1.136 1.00 0.00 C ATOM 455 CG LEU A 28 1.434 -1.369 -2.490 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.482 -0.548 -3.225 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.965 -2.775 -2.266 1.00 0.00 C ATOM 0 H LEU A 28 2.210 0.961 0.293 1.00 0.00 H new ATOM 0 HA LEU A 28 1.108 1.053 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.903 -0.904 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.209 -1.253 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 28 0.533 -1.389 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.706 -1.018 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.102 0.459 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.390 -0.497 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.220 -3.225 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.855 -2.732 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.202 -3.378 -1.774 1.00 0.00 H new ATOM 469 N GLN A 29 -1.150 0.988 0.138 1.00 0.00 N ATOM 470 CA GLN A 29 -2.595 1.248 0.381 1.00 0.00 C ATOM 471 C GLN A 29 -2.974 2.538 -0.344 1.00 0.00 C ATOM 472 O GLN A 29 -4.045 2.650 -0.906 1.00 0.00 O ATOM 473 CB GLN A 29 -2.854 1.394 1.888 1.00 0.00 C ATOM 474 CG GLN A 29 -4.154 2.172 2.128 1.00 0.00 C ATOM 475 CD GLN A 29 -4.816 1.677 3.416 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.464 2.104 4.497 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.770 0.788 3.344 1.00 0.00 N ATOM 0 H GLN A 29 -0.589 0.814 0.972 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.196 0.418 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.920 0.409 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.019 1.912 2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.943 3.239 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.831 2.039 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.066 0.429 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.220 0.452 4.196 1.00 0.00 H new ATOM 486 N ILE A 30 -2.101 3.511 -0.352 1.00 0.00 N ATOM 487 CA ILE A 30 -2.435 4.769 -1.065 1.00 0.00 C ATOM 488 C ILE A 30 -2.520 4.461 -2.548 1.00 0.00 C ATOM 489 O ILE A 30 -3.418 4.894 -3.234 1.00 0.00 O ATOM 490 CB ILE A 30 -1.362 5.837 -0.804 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.081 7.178 -0.647 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.351 5.911 -1.970 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.107 8.337 -0.879 1.00 0.00 C ATOM 0 H ILE A 30 -1.186 3.487 0.098 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.387 5.159 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.799 5.586 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.906 7.241 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.513 7.252 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.396 6.676 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.141 4.946 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.876 6.164 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.634 9.284 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.296 8.282 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.696 8.271 -1.886 1.00 0.00 H new ATOM 505 N VAL A 31 -1.595 3.700 -3.043 1.00 0.00 N ATOM 506 CA VAL A 31 -1.644 3.351 -4.489 1.00 0.00 C ATOM 507 C VAL A 31 -2.994 2.716 -4.765 1.00 0.00 C ATOM 508 O VAL A 31 -3.732 3.119 -5.642 1.00 0.00 O ATOM 509 CB VAL A 31 -0.551 2.342 -4.836 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.323 2.361 -6.346 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.740 2.719 -4.115 1.00 0.00 C ATOM 0 H VAL A 31 -0.813 3.306 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.494 4.250 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.855 1.343 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.456 1.644 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.248 2.093 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.014 3.360 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.519 1.998 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.054 3.715 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.570 2.713 -3.038 1.00 0.00 H new ATOM 521 N PHE A 32 -3.307 1.716 -4.003 1.00 0.00 N ATOM 522 CA PHE A 32 -4.598 1.005 -4.173 1.00 0.00 C ATOM 523 C PHE A 32 -5.762 1.995 -4.062 1.00 0.00 C ATOM 524 O PHE A 32 -6.726 1.918 -4.801 1.00 0.00 O ATOM 525 CB PHE A 32 -4.735 -0.044 -3.072 1.00 0.00 C ATOM 526 CG PHE A 32 -3.520 -0.957 -3.055 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.537 -0.865 -4.055 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.375 -1.899 -2.026 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.425 -1.715 -4.020 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.261 -2.745 -1.998 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.292 -2.654 -2.991 1.00 0.00 C ATOM 0 H PHE A 32 -2.714 1.354 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.620 0.531 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.842 0.447 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.638 -0.633 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.639 -0.140 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.126 -1.972 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.669 -1.646 -4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.154 -3.469 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.434 -3.310 -2.968 1.00 0.00 H new ATOM 541 N ASP A 33 -5.693 2.916 -3.137 1.00 0.00 N ATOM 542 CA ASP A 33 -6.813 3.889 -2.980 1.00 0.00 C ATOM 543 C ASP A 33 -6.843 4.850 -4.169 1.00 0.00 C ATOM 544 O ASP A 33 -7.881 5.112 -4.746 1.00 0.00 O ATOM 545 CB ASP A 33 -6.616 4.685 -1.689 1.00 0.00 C ATOM 546 CG ASP A 33 -7.777 4.405 -0.733 1.00 0.00 C ATOM 547 OD1 ASP A 33 -7.688 3.442 0.009 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.735 5.160 -0.760 1.00 0.00 O ATOM 0 H ASP A 33 -4.915 3.036 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.756 3.344 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.671 4.410 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.563 5.751 -1.911 1.00 0.00 H new ATOM 553 N PHE A 34 -5.713 5.383 -4.533 1.00 0.00 N ATOM 554 CA PHE A 34 -5.672 6.335 -5.672 1.00 0.00 C ATOM 555 C PHE A 34 -6.302 5.681 -6.905 1.00 0.00 C ATOM 556 O PHE A 34 -7.149 6.257 -7.558 1.00 0.00 O ATOM 557 CB PHE A 34 -4.199 6.717 -5.946 1.00 0.00 C ATOM 558 CG PHE A 34 -3.775 6.299 -7.339 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.349 6.907 -8.462 1.00 0.00 C ATOM 560 CD2 PHE A 34 -2.819 5.293 -7.500 1.00 0.00 C ATOM 561 CE1 PHE A 34 -3.967 6.507 -9.747 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.432 4.894 -8.782 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.008 5.500 -9.907 1.00 0.00 C ATOM 0 H PHE A 34 -4.813 5.199 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.236 7.237 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.073 7.794 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.554 6.240 -5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.087 7.685 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.379 4.823 -6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.411 6.974 -10.614 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.690 4.119 -8.906 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.712 5.190 -10.898 1.00 0.00 H new ATOM 573 N VAL A 35 -5.881 4.493 -7.242 1.00 0.00 N ATOM 574 CA VAL A 35 -6.460 3.842 -8.451 1.00 0.00 C ATOM 575 C VAL A 35 -7.940 3.562 -8.220 1.00 0.00 C ATOM 576 O VAL A 35 -8.777 3.965 -9.005 1.00 0.00 O ATOM 577 CB VAL A 35 -5.734 2.521 -8.761 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.547 2.799 -9.682 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.231 1.874 -7.469 1.00 0.00 C ATOM 0 H VAL A 35 -5.174 3.953 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.337 4.516 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.432 1.841 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.031 1.865 -9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.904 3.245 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.858 3.486 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.720 0.941 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.538 2.551 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.076 1.669 -6.812 1.00 0.00 H new ATOM 589 N ALA A 36 -8.281 2.902 -7.148 1.00 0.00 N ATOM 590 CA ALA A 36 -9.720 2.621 -6.896 1.00 0.00 C ATOM 591 C ALA A 36 -10.500 3.931 -6.936 1.00 0.00 C ATOM 592 O ALA A 36 -11.687 3.952 -7.186 1.00 0.00 O ATOM 593 CB ALA A 36 -9.893 1.940 -5.539 1.00 0.00 C ATOM 0 H ALA A 36 -7.633 2.549 -6.444 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.101 1.951 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.950 1.739 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.339 1.001 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.514 2.593 -4.753 1.00 0.00 H new ATOM 599 N SER A 37 -9.840 5.031 -6.714 1.00 0.00 N ATOM 600 CA SER A 37 -10.547 6.338 -6.766 1.00 0.00 C ATOM 601 C SER A 37 -10.802 6.703 -8.232 1.00 0.00 C ATOM 602 O SER A 37 -11.556 7.606 -8.536 1.00 0.00 O ATOM 603 CB SER A 37 -9.680 7.416 -6.115 1.00 0.00 C ATOM 604 OG SER A 37 -9.527 7.123 -4.731 1.00 0.00 O ATOM 0 H SER A 37 -8.844 5.082 -6.499 1.00 0.00 H new ATOM 0 HA SER A 37 -11.494 6.269 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.705 7.457 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.141 8.396 -6.243 1.00 0.00 H new ATOM 0 HG SER A 37 -8.941 6.345 -4.624 1.00 0.00 H new ATOM 610 N LYS A 38 -10.166 6.011 -9.144 1.00 0.00 N ATOM 611 CA LYS A 38 -10.356 6.321 -10.590 1.00 0.00 C ATOM 612 C LYS A 38 -11.589 5.590 -11.143 1.00 0.00 C ATOM 613 O LYS A 38 -12.652 6.163 -11.269 1.00 0.00 O ATOM 614 CB LYS A 38 -9.112 5.876 -11.365 1.00 0.00 C ATOM 615 CG LYS A 38 -8.300 7.105 -11.785 1.00 0.00 C ATOM 616 CD LYS A 38 -8.011 7.973 -10.558 1.00 0.00 C ATOM 617 CE LYS A 38 -7.404 9.305 -11.004 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.695 10.350 -9.983 1.00 0.00 N ATOM 0 H LYS A 38 -9.523 5.244 -8.947 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.507 7.394 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.501 5.219 -10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.405 5.303 -12.245 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.365 6.794 -12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.851 7.681 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.931 8.149 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.325 7.456 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.327 9.200 -11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.816 9.600 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.283 11.255 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.724 10.456 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.282 10.069 -9.071 1.00 0.00 H new ATOM 632 N GLY A 39 -11.450 4.338 -11.497 1.00 0.00 N ATOM 633 CA GLY A 39 -12.613 3.588 -12.066 1.00 0.00 C ATOM 634 C GLY A 39 -12.907 2.336 -11.231 1.00 0.00 C ATOM 635 O GLY A 39 -13.871 1.633 -11.462 1.00 0.00 O ATOM 0 H GLY A 39 -10.585 3.803 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.492 4.232 -12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.400 3.303 -13.096 1.00 0.00 H new ATOM 745 N LYS A 46 -6.795 -5.732 -6.915 1.00 0.00 N ATOM 746 CA LYS A 46 -5.343 -5.909 -6.629 1.00 0.00 C ATOM 747 C LYS A 46 -4.582 -5.562 -7.905 1.00 0.00 C ATOM 748 O LYS A 46 -4.962 -5.956 -8.990 1.00 0.00 O ATOM 749 CB LYS A 46 -5.060 -7.359 -6.210 1.00 0.00 C ATOM 750 CG LYS A 46 -5.015 -8.267 -7.442 1.00 0.00 C ATOM 751 CD LYS A 46 -5.341 -9.704 -7.029 1.00 0.00 C ATOM 752 CE LYS A 46 -6.823 -9.809 -6.664 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.965 -9.903 -5.184 1.00 0.00 N ATOM 0 HA LYS A 46 -5.028 -5.261 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.112 -7.412 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.833 -7.704 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.730 -7.921 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.028 -8.225 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.107 -10.389 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.725 -9.998 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.363 -8.939 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.264 -10.685 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.230 -10.874 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.061 -9.657 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.703 -9.244 -4.864 1.00 0.00 H new ATOM 767 N LEU A 47 -3.531 -4.806 -7.797 1.00 0.00 N ATOM 768 CA LEU A 47 -2.779 -4.417 -9.017 1.00 0.00 C ATOM 769 C LEU A 47 -1.642 -5.407 -9.266 1.00 0.00 C ATOM 770 O LEU A 47 -1.094 -5.980 -8.350 1.00 0.00 O ATOM 771 CB LEU A 47 -2.208 -3.018 -8.815 1.00 0.00 C ATOM 772 CG LEU A 47 -3.354 -2.041 -8.547 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.906 -1.001 -7.521 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.739 -1.349 -9.853 1.00 0.00 C ATOM 0 H LEU A 47 -3.160 -4.441 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.446 -4.426 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.509 -3.015 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.650 -2.709 -9.699 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.216 -2.581 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.722 -0.304 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.630 -1.501 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.046 -0.455 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.556 -0.651 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.879 -0.806 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.058 -2.096 -10.580 1.00 0.00 H new ATOM 786 N LEU A 48 -1.295 -5.617 -10.504 1.00 0.00 N ATOM 787 CA LEU A 48 -0.201 -6.571 -10.829 1.00 0.00 C ATOM 788 C LEU A 48 1.018 -5.782 -11.302 1.00 0.00 C ATOM 789 O LEU A 48 0.952 -5.039 -12.261 1.00 0.00 O ATOM 790 CB LEU A 48 -0.677 -7.521 -11.939 1.00 0.00 C ATOM 791 CG LEU A 48 0.513 -8.249 -12.578 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.179 -7.340 -13.614 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.534 -8.633 -11.502 1.00 0.00 C ATOM 0 H LEU A 48 -1.726 -5.165 -11.310 1.00 0.00 H new ATOM 0 HA LEU A 48 0.066 -7.155 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.376 -8.249 -11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.216 -6.957 -12.700 1.00 0.00 H new ATOM 0 HG LEU A 48 0.152 -9.154 -13.067 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.024 -7.861 -14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.457 -7.080 -14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.532 -6.431 -13.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.375 -9.149 -11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.892 -7.733 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.063 -9.291 -10.771 1.00 0.00 H new ATOM 805 N SER A 49 2.134 -5.927 -10.640 1.00 0.00 N ATOM 806 CA SER A 49 3.342 -5.172 -11.069 1.00 0.00 C ATOM 807 C SER A 49 3.919 -5.833 -12.317 1.00 0.00 C ATOM 808 O SER A 49 4.246 -7.008 -12.317 1.00 0.00 O ATOM 809 CB SER A 49 4.388 -5.172 -9.956 1.00 0.00 C ATOM 810 OG SER A 49 4.182 -6.299 -9.114 1.00 0.00 O ATOM 0 H SER A 49 2.260 -6.531 -9.828 1.00 0.00 H new ATOM 0 HA SER A 49 3.067 -4.140 -11.287 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.390 -5.202 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.317 -4.252 -9.375 1.00 0.00 H new ATOM 0 HG SER A 49 3.897 -7.064 -9.656 1.00 0.00 H new ATOM 816 N THR A 50 4.028 -5.086 -13.384 1.00 0.00 N ATOM 817 CA THR A 50 4.558 -5.651 -14.655 1.00 0.00 C ATOM 818 C THR A 50 6.085 -5.716 -14.615 1.00 0.00 C ATOM 819 O THR A 50 6.677 -6.703 -15.006 1.00 0.00 O ATOM 820 CB THR A 50 4.117 -4.764 -15.822 1.00 0.00 C ATOM 821 OG1 THR A 50 4.883 -3.567 -15.818 1.00 0.00 O ATOM 822 CG2 THR A 50 2.631 -4.422 -15.677 1.00 0.00 C ATOM 0 H THR A 50 3.770 -4.100 -13.427 1.00 0.00 H new ATOM 0 HA THR A 50 4.167 -6.660 -14.785 1.00 0.00 H new ATOM 0 HB THR A 50 4.273 -5.295 -16.761 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.563 -2.976 -15.104 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.320 -3.790 -16.509 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.044 -5.341 -15.680 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.470 -3.891 -14.739 1.00 0.00 H new ATOM 830 N PHE A 51 6.736 -4.677 -14.160 1.00 0.00 N ATOM 831 CA PHE A 51 8.226 -4.707 -14.120 1.00 0.00 C ATOM 832 C PHE A 51 8.684 -6.061 -13.560 1.00 0.00 C ATOM 833 O PHE A 51 9.302 -6.831 -14.267 1.00 0.00 O ATOM 834 CB PHE A 51 8.756 -3.558 -13.259 1.00 0.00 C ATOM 835 CG PHE A 51 9.299 -2.468 -14.151 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.428 -1.719 -14.950 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.675 -2.207 -14.179 1.00 0.00 C ATOM 838 CE1 PHE A 51 8.932 -0.707 -15.777 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.179 -1.196 -15.006 1.00 0.00 C ATOM 840 CZ PHE A 51 10.307 -0.446 -15.805 1.00 0.00 C ATOM 0 H PHE A 51 6.305 -3.818 -13.818 1.00 0.00 H new ATOM 0 HA PHE A 51 8.623 -4.583 -15.128 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.958 -3.164 -12.630 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.539 -3.920 -12.592 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.367 -1.921 -14.929 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.347 -2.786 -13.563 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.260 -0.128 -16.393 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.240 -0.995 -15.028 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.696 0.334 -16.443 1.00 0.00 H new ATOM 850 N PRO A 52 8.350 -6.334 -12.318 1.00 0.00 N ATOM 851 CA PRO A 52 8.703 -7.613 -11.682 1.00 0.00 C ATOM 852 C PRO A 52 7.702 -8.688 -12.115 1.00 0.00 C ATOM 853 O PRO A 52 7.967 -9.871 -12.036 1.00 0.00 O ATOM 854 CB PRO A 52 8.557 -7.330 -10.188 1.00 0.00 C ATOM 855 CG PRO A 52 7.585 -6.133 -10.070 1.00 0.00 C ATOM 856 CD PRO A 52 7.605 -5.411 -11.432 1.00 0.00 C ATOM 0 HA PRO A 52 9.699 -7.968 -11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.167 -8.202 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.522 -7.094 -9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.579 -6.474 -9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.895 -5.460 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.596 -5.230 -11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.097 -4.441 -11.362 1.00 0.00 H new ATOM 864 N ARG A 53 6.544 -8.276 -12.560 1.00 0.00 N ATOM 865 CA ARG A 53 5.511 -9.260 -12.986 1.00 0.00 C ATOM 866 C ARG A 53 5.016 -10.017 -11.754 1.00 0.00 C ATOM 867 O ARG A 53 4.938 -11.230 -11.745 1.00 0.00 O ATOM 868 CB ARG A 53 6.122 -10.246 -13.983 1.00 0.00 C ATOM 869 CG ARG A 53 5.121 -10.520 -15.109 1.00 0.00 C ATOM 870 CD ARG A 53 5.618 -9.870 -16.403 1.00 0.00 C ATOM 871 NE ARG A 53 4.452 -9.523 -17.263 1.00 0.00 N ATOM 872 CZ ARG A 53 4.434 -9.892 -18.516 1.00 0.00 C ATOM 873 NH1 ARG A 53 4.400 -8.991 -19.460 1.00 0.00 N ATOM 874 NH2 ARG A 53 4.451 -11.160 -18.823 1.00 0.00 N ATOM 0 H ARG A 53 6.270 -7.297 -12.646 1.00 0.00 H new ATOM 0 HA ARG A 53 4.679 -8.742 -13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.046 -9.838 -14.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.381 -11.177 -13.478 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.002 -11.594 -15.251 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.141 -10.124 -14.843 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.195 -8.974 -16.174 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.284 -10.551 -16.932 1.00 0.00 H new ATOM 0 HE ARG A 53 3.669 -8.998 -16.874 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.388 -8.000 -19.219 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.386 -9.278 -20.439 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.478 -11.863 -18.085 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.437 -11.448 -19.801 1.00 0.00 H new ATOM 888 N ARG A 54 4.690 -9.309 -10.703 1.00 0.00 N ATOM 889 CA ARG A 54 4.214 -9.994 -9.466 1.00 0.00 C ATOM 890 C ARG A 54 2.996 -9.265 -8.890 1.00 0.00 C ATOM 891 O ARG A 54 2.692 -8.151 -9.264 1.00 0.00 O ATOM 892 CB ARG A 54 5.341 -10.002 -8.431 1.00 0.00 C ATOM 893 CG ARG A 54 5.512 -8.598 -7.847 1.00 0.00 C ATOM 894 CD ARG A 54 6.848 -8.512 -7.105 1.00 0.00 C ATOM 895 NE ARG A 54 6.871 -9.515 -6.003 1.00 0.00 N ATOM 896 CZ ARG A 54 7.497 -9.247 -4.891 1.00 0.00 C ATOM 897 NH1 ARG A 54 8.510 -8.422 -4.895 1.00 0.00 N ATOM 898 NH2 ARG A 54 7.112 -9.801 -3.774 1.00 0.00 N ATOM 0 H ARG A 54 4.733 -8.291 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 54 3.928 -11.017 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.113 -10.712 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.272 -10.330 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.478 -7.855 -8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.691 -8.373 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.672 -8.695 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.988 -7.509 -6.701 1.00 0.00 H new ATOM 0 HE ARG A 54 6.397 -10.411 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.811 -7.988 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.000 -8.212 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.321 -10.444 -3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.603 -9.591 -2.905 1.00 0.00 H new ATOM 912 N ASP A 55 2.302 -9.887 -7.974 1.00 0.00 N ATOM 913 CA ASP A 55 1.107 -9.232 -7.367 1.00 0.00 C ATOM 914 C ASP A 55 1.515 -7.888 -6.758 1.00 0.00 C ATOM 915 O ASP A 55 2.104 -7.836 -5.703 1.00 0.00 O ATOM 916 CB ASP A 55 0.532 -10.133 -6.272 1.00 0.00 C ATOM 917 CG ASP A 55 -0.994 -10.149 -6.374 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.536 -9.253 -7.000 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.595 -11.059 -5.825 1.00 0.00 O ATOM 0 H ASP A 55 2.511 -10.820 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 55 0.353 -9.069 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.925 -11.145 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.838 -9.771 -5.290 1.00 0.00 H new ATOM 924 N VAL A 56 1.192 -6.813 -7.431 1.00 0.00 N ATOM 925 CA VAL A 56 1.534 -5.438 -6.946 1.00 0.00 C ATOM 926 C VAL A 56 2.861 -5.427 -6.188 1.00 0.00 C ATOM 927 O VAL A 56 2.981 -5.903 -5.084 1.00 0.00 O ATOM 928 CB VAL A 56 0.394 -4.883 -6.084 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.540 -5.342 -4.638 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.417 -3.354 -6.143 1.00 0.00 C ATOM 0 H VAL A 56 0.692 -6.830 -8.320 1.00 0.00 H new ATOM 0 HA VAL A 56 1.656 -4.790 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.555 -5.256 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.279 -4.937 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.514 -6.431 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.489 -4.987 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.392 -2.954 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.372 -2.990 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.287 -3.028 -7.175 1.00 0.00 H new ATOM 940 N THR A 57 3.849 -4.855 -6.811 1.00 0.00 N ATOM 941 CA THR A 57 5.226 -4.739 -6.232 1.00 0.00 C ATOM 942 C THR A 57 5.316 -5.177 -4.758 1.00 0.00 C ATOM 943 O THR A 57 5.339 -4.360 -3.862 1.00 0.00 O ATOM 944 CB THR A 57 5.686 -3.283 -6.352 1.00 0.00 C ATOM 945 OG1 THR A 57 6.561 -2.975 -5.281 1.00 0.00 O ATOM 946 CG2 THR A 57 4.468 -2.350 -6.318 1.00 0.00 C ATOM 0 H THR A 57 3.759 -4.443 -7.740 1.00 0.00 H new ATOM 0 HA THR A 57 5.869 -5.414 -6.797 1.00 0.00 H new ATOM 0 HB THR A 57 6.212 -3.145 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.103 -2.193 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.800 -1.315 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.804 -2.588 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.934 -2.483 -5.377 1.00 0.00 H new ATOM 954 N GLN A 58 5.430 -6.463 -4.518 1.00 0.00 N ATOM 955 CA GLN A 58 5.602 -6.982 -3.114 1.00 0.00 C ATOM 956 C GLN A 58 4.270 -7.198 -2.382 1.00 0.00 C ATOM 957 O GLN A 58 4.227 -7.879 -1.377 1.00 0.00 O ATOM 958 CB GLN A 58 6.463 -6.006 -2.307 1.00 0.00 C ATOM 959 CG GLN A 58 7.618 -5.505 -3.177 1.00 0.00 C ATOM 960 CD GLN A 58 8.948 -5.849 -2.505 1.00 0.00 C ATOM 961 OE1 GLN A 58 9.745 -6.587 -3.051 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.225 -5.343 -1.334 1.00 0.00 N ATOM 0 H GLN A 58 5.412 -7.185 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 58 6.087 -7.955 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.858 -5.165 -1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.852 -6.499 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.568 -5.963 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.539 -4.427 -3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.557 -4.724 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.109 -5.567 -0.878 1.00 0.00 H new ATOM 971 N LEU A 59 3.193 -6.636 -2.845 1.00 0.00 N ATOM 972 CA LEU A 59 1.895 -6.839 -2.137 1.00 0.00 C ATOM 973 C LEU A 59 1.931 -6.139 -0.777 1.00 0.00 C ATOM 974 O LEU A 59 2.863 -5.427 -0.461 1.00 0.00 O ATOM 975 CB LEU A 59 1.647 -8.336 -1.936 1.00 0.00 C ATOM 976 CG LEU A 59 0.598 -8.811 -2.939 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.645 -10.337 -3.044 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.791 -8.377 -2.466 1.00 0.00 C ATOM 0 H LEU A 59 3.151 -6.048 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 59 1.090 -6.416 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.575 -8.892 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.307 -8.527 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 59 0.805 -8.373 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.104 -10.676 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.634 -10.648 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.438 -10.775 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.541 -8.715 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.996 -8.816 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.826 -7.290 -2.390 1.00 0.00 H new ATOM 990 N ASP A 60 0.917 -6.330 0.025 1.00 0.00 N ATOM 991 CA ASP A 60 0.884 -5.672 1.363 1.00 0.00 C ATOM 992 C ASP A 60 0.487 -4.200 1.193 1.00 0.00 C ATOM 993 O ASP A 60 1.330 -3.353 0.962 1.00 0.00 O ATOM 994 CB ASP A 60 2.267 -5.760 2.013 1.00 0.00 C ATOM 995 CG ASP A 60 2.867 -7.143 1.751 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.101 -8.069 1.543 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.081 -7.252 1.764 1.00 0.00 O ATOM 0 H ASP A 60 0.109 -6.914 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 60 0.156 -6.175 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.920 -4.986 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.188 -5.583 3.086 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.791 -3.939 1.320 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.338 -2.577 1.181 1.00 0.00 C ATOM 1004 C PRO A 61 -0.920 -1.717 2.367 1.00 0.00 C ATOM 1005 O PRO A 61 -1.106 -0.516 2.379 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.855 -2.795 1.149 1.00 0.00 C ATOM 1007 CG PRO A 61 -3.108 -4.171 1.804 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.802 -4.968 1.645 1.00 0.00 C ATOM 0 HA PRO A 61 -0.980 -2.055 0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.373 -2.005 1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.229 -2.777 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.370 -4.059 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.939 -4.685 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.547 -5.503 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.883 -5.712 0.853 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.337 -2.326 3.354 1.00 0.00 N ATOM 1017 CA ASN A 62 0.112 -1.559 4.545 1.00 0.00 C ATOM 1018 C ASN A 62 1.610 -1.283 4.426 1.00 0.00 C ATOM 1019 O ASN A 62 2.196 -0.614 5.253 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.159 -2.374 5.811 1.00 0.00 C ATOM 1021 CG ASN A 62 0.200 -1.540 7.042 1.00 0.00 C ATOM 1022 OD1 ASN A 62 1.361 -1.338 7.336 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -0.755 -1.045 7.780 1.00 0.00 N ATOM 0 H ASN A 62 -0.150 -3.328 3.389 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.432 -0.616 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.208 -2.666 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.428 -3.293 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.527 -0.488 8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.730 -1.214 7.533 1.00 0.00 H new ATOM 1030 N LYS A 63 2.234 -1.792 3.399 1.00 0.00 N ATOM 1031 CA LYS A 63 3.691 -1.554 3.230 1.00 0.00 C ATOM 1032 C LYS A 63 3.916 -0.148 2.678 1.00 0.00 C ATOM 1033 O LYS A 63 3.040 0.445 2.075 1.00 0.00 O ATOM 1034 CB LYS A 63 4.269 -2.580 2.254 1.00 0.00 C ATOM 1035 CG LYS A 63 5.440 -3.311 2.916 1.00 0.00 C ATOM 1036 CD LYS A 63 5.525 -4.738 2.371 1.00 0.00 C ATOM 1037 CE LYS A 63 6.627 -5.502 3.107 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.923 -4.782 2.943 1.00 0.00 N ATOM 0 H LYS A 63 1.798 -2.360 2.673 1.00 0.00 H new ATOM 0 HA LYS A 63 4.187 -1.652 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.499 -3.294 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.604 -2.083 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.371 -2.780 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.305 -3.331 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.569 -5.245 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.734 -4.718 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.379 -5.591 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.708 -6.515 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.707 -5.416 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.030 -4.480 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.937 -3.947 3.563 1.00 0.00 H new ATOM 1052 N SER A 64 5.089 0.382 2.866 1.00 0.00 N ATOM 1053 CA SER A 64 5.385 1.741 2.343 1.00 0.00 C ATOM 1054 C SER A 64 5.946 1.573 0.937 1.00 0.00 C ATOM 1055 O SER A 64 6.180 0.467 0.493 1.00 0.00 O ATOM 1056 CB SER A 64 6.415 2.432 3.237 1.00 0.00 C ATOM 1057 OG SER A 64 7.722 2.026 2.851 1.00 0.00 O ATOM 0 H SER A 64 5.858 -0.069 3.361 1.00 0.00 H new ATOM 0 HA SER A 64 4.484 2.354 2.328 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.318 3.514 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.236 2.177 4.281 1.00 0.00 H new ATOM 0 HG SER A 64 8.384 2.469 3.422 1.00 0.00 H new ATOM 1063 N LEU A 65 6.135 2.633 0.210 1.00 0.00 N ATOM 1064 CA LEU A 65 6.640 2.466 -1.174 1.00 0.00 C ATOM 1065 C LEU A 65 8.116 2.087 -1.155 1.00 0.00 C ATOM 1066 O LEU A 65 8.522 1.180 -1.843 1.00 0.00 O ATOM 1067 CB LEU A 65 6.421 3.754 -1.955 1.00 0.00 C ATOM 1068 CG LEU A 65 4.973 3.772 -2.444 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.717 5.030 -3.256 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.717 2.553 -3.331 1.00 0.00 C ATOM 0 H LEU A 65 5.965 3.594 0.508 1.00 0.00 H new ATOM 0 HA LEU A 65 6.092 1.662 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.621 4.620 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.109 3.809 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 65 4.308 3.751 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.683 5.036 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.897 5.907 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.387 5.051 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.684 2.567 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.389 2.579 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.895 1.643 -2.758 1.00 0.00 H new ATOM 1082 N LEU A 66 8.928 2.740 -0.376 1.00 0.00 N ATOM 1083 CA LEU A 66 10.367 2.345 -0.360 1.00 0.00 C ATOM 1084 C LEU A 66 10.466 0.827 -0.184 1.00 0.00 C ATOM 1085 O LEU A 66 11.222 0.163 -0.865 1.00 0.00 O ATOM 1086 CB LEU A 66 11.090 3.024 0.817 1.00 0.00 C ATOM 1087 CG LEU A 66 11.843 4.307 0.396 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.915 4.461 -1.128 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.127 5.518 0.998 1.00 0.00 C ATOM 0 H LEU A 66 8.670 3.513 0.238 1.00 0.00 H new ATOM 0 HA LEU A 66 10.831 2.653 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.363 3.272 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.797 2.321 1.258 1.00 0.00 H new ATOM 0 HG LEU A 66 12.866 4.237 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.453 5.376 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.438 3.606 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.906 4.511 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.649 6.430 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.101 5.554 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.120 5.433 2.085 1.00 0.00 H new ATOM 1101 N GLU A 67 9.706 0.271 0.718 1.00 0.00 N ATOM 1102 CA GLU A 67 9.773 -1.210 0.923 1.00 0.00 C ATOM 1103 C GLU A 67 9.373 -1.908 -0.373 1.00 0.00 C ATOM 1104 O GLU A 67 9.916 -2.934 -0.729 1.00 0.00 O ATOM 1105 CB GLU A 67 8.824 -1.670 2.042 1.00 0.00 C ATOM 1106 CG GLU A 67 8.310 -0.478 2.845 1.00 0.00 C ATOM 1107 CD GLU A 67 7.771 -0.960 4.193 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.259 -1.968 4.678 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.878 -0.314 4.717 1.00 0.00 O ATOM 0 H GLU A 67 9.047 0.768 1.318 1.00 0.00 H new ATOM 0 HA GLU A 67 10.793 -1.467 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.983 -2.213 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.344 -2.362 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.113 0.242 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.524 0.035 2.290 1.00 0.00 H new ATOM 1116 N VAL A 68 8.429 -1.357 -1.086 1.00 0.00 N ATOM 1117 CA VAL A 68 8.008 -1.999 -2.364 1.00 0.00 C ATOM 1118 C VAL A 68 8.590 -1.220 -3.553 1.00 0.00 C ATOM 1119 O VAL A 68 8.182 -1.404 -4.681 1.00 0.00 O ATOM 1120 CB VAL A 68 6.481 -2.050 -2.443 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.934 -2.827 -1.246 1.00 0.00 C ATOM 1122 CG2 VAL A 68 5.897 -0.642 -2.434 1.00 0.00 C ATOM 0 H VAL A 68 7.935 -0.498 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 68 8.388 -3.020 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 68 6.197 -2.545 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.846 -2.863 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.332 -3.842 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.233 -2.331 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.810 -0.699 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.186 -0.134 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.277 -0.085 -3.291 1.00 0.00 H new ATOM 1132 N LYS A 69 9.561 -0.376 -3.280 1.00 0.00 N ATOM 1133 CA LYS A 69 10.262 0.445 -4.326 1.00 0.00 C ATOM 1134 C LYS A 69 9.653 0.282 -5.725 1.00 0.00 C ATOM 1135 O LYS A 69 10.146 -0.470 -6.542 1.00 0.00 O ATOM 1136 CB LYS A 69 11.739 0.027 -4.377 1.00 0.00 C ATOM 1137 CG LYS A 69 11.907 -1.395 -3.821 1.00 0.00 C ATOM 1138 CD LYS A 69 11.056 -2.366 -4.642 1.00 0.00 C ATOM 1139 CE LYS A 69 10.557 -3.511 -3.762 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.585 -4.589 -3.716 1.00 0.00 N ATOM 0 H LYS A 69 9.910 -0.217 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 69 10.151 1.492 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.101 0.069 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.343 0.726 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.955 -1.691 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.606 -1.426 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.208 -1.838 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.643 -2.764 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.352 -3.147 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.620 -3.904 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.118 -5.509 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.122 -4.595 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.234 -4.416 -2.922 1.00 0.00 H new ATOM 1207 N GLN A 73 9.804 4.529 -12.677 1.00 0.00 N ATOM 1208 CA GLN A 73 8.731 4.333 -13.690 1.00 0.00 C ATOM 1209 C GLN A 73 8.279 2.871 -13.668 1.00 0.00 C ATOM 1210 O GLN A 73 9.012 1.984 -14.057 1.00 0.00 O ATOM 1211 CB GLN A 73 9.270 4.681 -15.078 1.00 0.00 C ATOM 1212 CG GLN A 73 10.093 5.970 -14.998 1.00 0.00 C ATOM 1213 CD GLN A 73 10.498 6.407 -16.407 1.00 0.00 C ATOM 1214 OE1 GLN A 73 9.788 7.156 -17.050 1.00 0.00 O ATOM 1215 NE2 GLN A 73 11.616 5.970 -16.917 1.00 0.00 N ATOM 0 HA GLN A 73 7.885 4.981 -13.459 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.887 3.866 -15.455 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.445 4.807 -15.779 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.512 6.756 -14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.981 5.809 -14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.211 5.342 -16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.895 6.257 -17.855 1.00 0.00 H new ATOM 1224 N GLU A 74 7.083 2.608 -13.211 1.00 0.00 N ATOM 1225 CA GLU A 74 6.613 1.190 -13.169 1.00 0.00 C ATOM 1226 C GLU A 74 5.186 1.087 -13.731 1.00 0.00 C ATOM 1227 O GLU A 74 4.359 1.947 -13.519 1.00 0.00 O ATOM 1228 CB GLU A 74 6.686 0.679 -11.712 1.00 0.00 C ATOM 1229 CG GLU A 74 5.289 0.453 -11.113 1.00 0.00 C ATOM 1230 CD GLU A 74 4.785 -0.938 -11.502 1.00 0.00 C ATOM 1231 OE1 GLU A 74 5.600 -1.842 -11.577 1.00 0.00 O ATOM 1232 OE2 GLU A 74 3.592 -1.075 -11.718 1.00 0.00 O ATOM 0 H GLU A 74 6.418 3.302 -12.869 1.00 0.00 H new ATOM 0 HA GLU A 74 7.255 0.566 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.249 -0.254 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.231 1.399 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.328 0.547 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.599 1.216 -11.475 1.00 0.00 H new ATOM 1239 N THR A 75 4.892 0.031 -14.438 1.00 0.00 N ATOM 1240 CA THR A 75 3.521 -0.131 -15.001 1.00 0.00 C ATOM 1241 C THR A 75 2.791 -1.235 -14.231 1.00 0.00 C ATOM 1242 O THR A 75 3.333 -2.294 -13.987 1.00 0.00 O ATOM 1243 CB THR A 75 3.617 -0.516 -16.480 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.557 0.330 -17.127 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.246 -0.357 -17.139 1.00 0.00 C ATOM 0 H THR A 75 5.541 -0.727 -14.650 1.00 0.00 H new ATOM 0 HA THR A 75 2.972 0.806 -14.908 1.00 0.00 H new ATOM 0 HB THR A 75 3.941 -1.553 -16.567 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.621 0.084 -18.073 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.314 -0.631 -18.192 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.526 -1.006 -16.641 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.920 0.680 -17.054 1.00 0.00 H new ATOM 1253 N LEU A 76 1.569 -0.996 -13.838 1.00 0.00 N ATOM 1254 CA LEU A 76 0.816 -2.035 -13.075 1.00 0.00 C ATOM 1255 C LEU A 76 -0.477 -2.388 -13.816 1.00 0.00 C ATOM 1256 O LEU A 76 -0.925 -1.665 -14.679 1.00 0.00 O ATOM 1257 CB LEU A 76 0.473 -1.495 -11.686 1.00 0.00 C ATOM 1258 CG LEU A 76 1.350 -2.171 -10.633 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.749 -1.155 -9.566 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.565 -3.303 -9.973 1.00 0.00 C ATOM 0 H LEU A 76 1.060 -0.129 -14.011 1.00 0.00 H new ATOM 0 HA LEU A 76 1.432 -2.929 -12.980 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.624 -0.416 -11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.579 -1.676 -11.466 1.00 0.00 H new ATOM 0 HG LEU A 76 2.245 -2.568 -11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.374 -1.641 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.305 -0.340 -10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.853 -0.758 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.188 -3.788 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.328 -2.897 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.274 -4.033 -10.729 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.084 -3.494 -13.481 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.353 -3.890 -14.160 1.00 0.00 C ATOM 1274 C PHE A 77 -3.452 -4.071 -13.107 1.00 0.00 C ATOM 1275 O PHE A 77 -3.190 -4.479 -11.995 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.147 -5.213 -14.906 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.136 -5.036 -16.019 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.930 -3.776 -16.597 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.407 -6.141 -16.475 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.004 -3.624 -17.629 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.526 -5.988 -17.506 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.732 -4.730 -18.084 1.00 0.00 C ATOM 0 H PHE A 77 -0.756 -4.142 -12.765 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.643 -3.115 -14.869 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.804 -5.980 -14.212 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.095 -5.558 -15.318 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.491 -2.923 -16.247 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.565 -7.112 -16.030 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.163 -2.653 -18.074 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.088 -6.841 -17.856 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.452 -4.613 -18.880 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.679 -3.778 -13.438 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.768 -3.950 -12.433 1.00 0.00 C ATOM 1294 C LEU A 78 -6.245 -5.406 -12.462 1.00 0.00 C ATOM 1295 O LEU A 78 -6.569 -5.942 -13.503 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.939 -3.021 -12.776 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.426 -2.298 -11.514 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.279 -0.790 -11.694 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.904 -2.610 -11.274 1.00 0.00 C ATOM 0 H LEU A 78 -4.974 -3.430 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.394 -3.702 -11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.628 -2.292 -13.525 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.755 -3.597 -13.212 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.829 -2.636 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.626 -0.281 -10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.231 -0.545 -11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.874 -0.466 -12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.244 -2.094 -10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.490 -2.275 -12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.033 -3.685 -11.145 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.293 -6.048 -11.326 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.753 -7.466 -11.285 1.00 0.00 C ATOM 1313 C GLU A 79 -7.785 -7.615 -10.170 1.00 0.00 C ATOM 1314 O GLU A 79 -7.529 -7.289 -9.029 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.561 -8.386 -11.006 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.984 -9.843 -11.205 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.940 -10.567 -12.057 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.873 -10.851 -11.537 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -5.224 -10.826 -13.215 1.00 0.00 O ATOM 0 H GLU A 79 -6.033 -5.651 -10.423 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.197 -7.739 -12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.735 -8.141 -11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.203 -8.236 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.087 -10.338 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.959 -9.886 -11.691 1.00 0.00 H new