USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 530 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 73 ASN : amide:sc= -0.271 K(o=-0.18,f=-7.1!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -159:sc= 0.0911 (180deg=0) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 THR OG1 : rot 81:sc= 0.132 USER MOD Set 3.1: A 23 HIS : no HE2:sc= -1.07 K(o=-1,f=-3.2!) USER MOD Set 3.2: A 37 SER OG : rot 155:sc= 0.0263 USER MOD Single : A 25 TYR OH : rot -158:sc= 0.486 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 86:sc= -1.47 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -160:sc= -0.903 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.04 USER MOD Single : A 49 SER OG : rot 180:sc=0.000238 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.038 X(o=-0.038,f=0.033) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0605 X(o=-0.06,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 14.533 -7.256 20.057 1.00 4.43 N ATOM 2 CA LEU A 20 13.518 -8.073 19.400 1.00 24.15 C ATOM 3 C LEU A 20 14.105 -9.404 18.941 1.00 71.13 C ATOM 4 O LEU A 20 15.316 -9.554 18.779 1.00 61.45 O ATOM 5 CB LEU A 20 12.928 -7.323 18.204 1.00 32.44 C ATOM 6 CG LEU A 20 11.810 -6.329 18.522 1.00 55.43 C ATOM 7 CD1 LEU A 20 10.598 -7.052 19.088 1.00 32.13 C ATOM 8 CD2 LEU A 20 12.301 -5.266 19.493 1.00 41.05 C ATOM 0 HA LEU A 20 12.726 -8.275 20.121 1.00 24.15 H new ATOM 0 HB2 LEU A 20 13.734 -6.786 17.704 1.00 32.44 H new ATOM 0 HB3 LEU A 20 12.545 -8.056 17.494 1.00 32.44 H new ATOM 0 HG LEU A 20 11.514 -5.837 17.596 1.00 55.43 H new ATOM 0 HD11 LEU A 20 9.813 -6.329 19.308 1.00 32.13 H new ATOM 0 HD12 LEU A 20 10.232 -7.774 18.358 1.00 32.13 H new ATOM 0 HD13 LEU A 20 10.879 -7.572 20.004 1.00 32.13 H new ATOM 0 HD21 LEU A 20 11.492 -4.568 19.708 1.00 41.05 H new ATOM 0 HD22 LEU A 20 12.626 -5.741 20.419 1.00 41.05 H new ATOM 0 HD23 LEU A 20 13.138 -4.727 19.049 1.00 41.05 H new ATOM 20 N PRO A 21 13.226 -10.394 18.724 1.00 42.35 N ATOM 21 CA PRO A 21 13.633 -11.730 18.278 1.00 60.01 C ATOM 22 C PRO A 21 14.139 -11.731 16.838 1.00 14.44 C ATOM 23 O PRO A 21 13.881 -10.798 16.080 1.00 73.15 O ATOM 24 CB PRO A 21 12.347 -12.550 18.393 1.00 54.43 C ATOM 25 CG PRO A 21 11.248 -11.550 18.271 1.00 64.52 C ATOM 26 CD PRO A 21 11.768 -10.286 18.897 1.00 71.40 C ATOM 0 HA PRO A 21 14.459 -12.123 18.870 1.00 60.01 H new ATOM 0 HB2 PRO A 21 12.286 -13.303 17.607 1.00 54.43 H new ATOM 0 HB3 PRO A 21 12.298 -13.078 19.345 1.00 54.43 H new ATOM 0 HG2 PRO A 21 10.982 -11.388 17.226 1.00 64.52 H new ATOM 0 HG3 PRO A 21 10.348 -11.896 18.779 1.00 64.52 H new ATOM 0 HD2 PRO A 21 11.369 -9.400 18.403 1.00 71.40 H new ATOM 0 HD3 PRO A 21 11.492 -10.216 19.949 1.00 71.40 H new ATOM 34 N ALA A 22 14.861 -12.785 16.471 1.00 14.34 N ATOM 35 CA ALA A 22 15.400 -12.907 15.123 1.00 62.31 C ATOM 36 C ALA A 22 14.487 -13.753 14.241 1.00 4.23 C ATOM 37 O ALA A 22 13.472 -14.274 14.701 1.00 35.14 O ATOM 38 CB ALA A 22 16.798 -13.508 15.166 1.00 11.12 C ATOM 0 H ALA A 22 15.086 -13.566 17.088 1.00 14.34 H new ATOM 0 HA ALA A 22 15.458 -11.908 14.690 1.00 62.31 H new ATOM 0 HB1 ALA A 22 17.189 -13.593 14.152 1.00 11.12 H new ATOM 0 HB2 ALA A 22 17.453 -12.865 15.754 1.00 11.12 H new ATOM 0 HB3 ALA A 22 16.755 -14.497 15.623 1.00 11.12 H new ATOM 44 N HIS A 23 14.854 -13.883 12.970 1.00 4.31 N ATOM 45 CA HIS A 23 14.067 -14.665 12.023 1.00 1.41 C ATOM 46 C HIS A 23 14.873 -15.845 11.491 1.00 32.40 C ATOM 47 O HIS A 23 16.054 -15.725 11.163 1.00 11.21 O ATOM 48 CB HIS A 23 13.604 -13.784 10.862 1.00 2.01 C ATOM 49 CG HIS A 23 13.258 -12.385 11.273 1.00 60.32 C ATOM 50 ND1 HIS A 23 12.384 -12.096 12.300 1.00 43.05 N ATOM 51 CD2 HIS A 23 13.676 -11.192 10.789 1.00 71.01 C ATOM 52 CE1 HIS A 23 12.278 -10.786 12.428 1.00 2.43 C ATOM 53 NE2 HIS A 23 13.052 -10.214 11.524 1.00 4.42 N ATOM 0 H HIS A 23 15.691 -13.457 12.572 1.00 4.31 H new ATOM 0 HA HIS A 23 13.193 -15.051 12.547 1.00 1.41 H new ATOM 0 HB2 HIS A 23 14.390 -13.749 10.108 1.00 2.01 H new ATOM 0 HB3 HIS A 23 12.733 -14.242 10.394 1.00 2.01 H new ATOM 0 HD1 HIS A 23 11.896 -12.786 12.871 1.00 43.05 H new ATOM 0 HD2 HIS A 23 14.371 -11.038 9.976 1.00 71.01 H new ATOM 0 HE1 HIS A 23 11.662 -10.270 13.150 1.00 2.43 H new ATOM 61 N PRO A 24 14.222 -17.016 11.403 1.00 4.34 N ATOM 62 CA PRO A 24 14.860 -18.241 10.912 1.00 53.11 C ATOM 63 C PRO A 24 15.155 -18.180 9.417 1.00 60.53 C ATOM 64 O PRO A 24 14.532 -17.415 8.681 1.00 30.04 O ATOM 65 CB PRO A 24 13.821 -19.325 11.208 1.00 54.22 C ATOM 66 CG PRO A 24 12.518 -18.603 11.235 1.00 52.12 C ATOM 67 CD PRO A 24 12.815 -17.232 11.776 1.00 51.42 C ATOM 0 HA PRO A 24 15.826 -18.417 11.386 1.00 53.11 H new ATOM 0 HB2 PRO A 24 13.828 -20.100 10.442 1.00 54.22 H new ATOM 0 HB3 PRO A 24 14.021 -19.816 12.160 1.00 54.22 H new ATOM 0 HG2 PRO A 24 12.084 -18.543 10.237 1.00 52.12 H new ATOM 0 HG3 PRO A 24 11.797 -19.123 11.865 1.00 52.12 H new ATOM 0 HD2 PRO A 24 12.163 -16.477 11.338 1.00 51.42 H new ATOM 0 HD3 PRO A 24 12.674 -17.187 12.856 1.00 51.42 H new ATOM 75 N TYR A 25 16.109 -18.993 8.974 1.00 33.30 N ATOM 76 CA TYR A 25 16.488 -19.031 7.567 1.00 1.41 C ATOM 77 C TYR A 25 15.356 -19.592 6.713 1.00 52.13 C ATOM 78 O TYR A 25 15.177 -19.194 5.561 1.00 72.32 O ATOM 79 CB TYR A 25 17.749 -19.875 7.380 1.00 64.42 C ATOM 80 CG TYR A 25 18.206 -19.972 5.941 1.00 10.14 C ATOM 81 CD1 TYR A 25 17.623 -20.879 5.066 1.00 32.52 C ATOM 82 CD2 TYR A 25 19.221 -19.155 5.458 1.00 62.40 C ATOM 83 CE1 TYR A 25 18.036 -20.971 3.751 1.00 44.40 C ATOM 84 CE2 TYR A 25 19.641 -19.239 4.145 1.00 61.53 C ATOM 85 CZ TYR A 25 19.045 -20.148 3.295 1.00 62.12 C ATOM 86 OH TYR A 25 19.462 -20.236 1.987 1.00 74.22 O ATOM 0 H TYR A 25 16.633 -19.634 9.569 1.00 33.30 H new ATOM 0 HA TYR A 25 16.691 -18.010 7.244 1.00 1.41 H new ATOM 0 HB2 TYR A 25 18.553 -19.449 7.980 1.00 64.42 H new ATOM 0 HB3 TYR A 25 17.564 -20.879 7.762 1.00 64.42 H new ATOM 0 HD1 TYR A 25 16.832 -21.524 5.420 1.00 32.52 H new ATOM 0 HD2 TYR A 25 19.689 -18.442 6.121 1.00 62.40 H new ATOM 0 HE1 TYR A 25 17.572 -21.683 3.084 1.00 44.40 H new ATOM 0 HE2 TYR A 25 20.431 -18.597 3.786 1.00 61.53 H new ATOM 0 HH TYR A 25 20.370 -19.875 1.908 1.00 74.22 H new ATOM 96 N ASP A 26 14.594 -20.517 7.285 1.00 53.34 N ATOM 97 CA ASP A 26 13.477 -21.132 6.578 1.00 11.02 C ATOM 98 C ASP A 26 12.462 -20.079 6.144 1.00 64.24 C ATOM 99 O ASP A 26 11.741 -20.265 5.163 1.00 3.50 O ATOM 100 CB ASP A 26 12.798 -22.177 7.464 1.00 33.43 C ATOM 101 CG ASP A 26 11.863 -23.080 6.683 1.00 21.45 C ATOM 102 OD1 ASP A 26 10.714 -23.275 7.131 1.00 21.14 O ATOM 103 OD2 ASP A 26 12.281 -23.591 5.623 1.00 24.30 O ATOM 0 H ASP A 26 14.729 -20.858 8.237 1.00 53.34 H new ATOM 0 HA ASP A 26 13.869 -21.622 5.687 1.00 11.02 H new ATOM 0 HB2 ASP A 26 13.560 -22.784 7.954 1.00 33.43 H new ATOM 0 HB3 ASP A 26 12.238 -21.673 8.251 1.00 33.43 H new ATOM 108 N ARG A 27 12.411 -18.974 6.881 1.00 74.32 N ATOM 109 CA ARG A 27 11.483 -17.893 6.572 1.00 20.05 C ATOM 110 C ARG A 27 12.194 -16.757 5.843 1.00 22.43 C ATOM 111 O ARG A 27 11.573 -15.998 5.098 1.00 62.42 O ATOM 112 CB ARG A 27 10.838 -17.364 7.856 1.00 64.14 C ATOM 113 CG ARG A 27 9.940 -18.377 8.547 1.00 1.25 C ATOM 114 CD ARG A 27 8.533 -18.358 7.971 1.00 61.12 C ATOM 115 NE ARG A 27 7.637 -17.500 8.740 1.00 34.40 N ATOM 116 CZ ARG A 27 7.205 -17.798 9.961 1.00 40.33 C ATOM 117 NH1 ARG A 27 7.586 -18.923 10.547 1.00 35.50 N ATOM 118 NH2 ARG A 27 6.390 -16.966 10.598 1.00 4.54 N ATOM 0 H ARG A 27 13.001 -18.804 7.696 1.00 74.32 H new ATOM 0 HA ARG A 27 10.706 -18.290 5.919 1.00 20.05 H new ATOM 0 HB2 ARG A 27 11.623 -17.056 8.547 1.00 64.14 H new ATOM 0 HB3 ARG A 27 10.254 -16.475 7.620 1.00 64.14 H new ATOM 0 HG2 ARG A 27 10.365 -19.375 8.439 1.00 1.25 H new ATOM 0 HG3 ARG A 27 9.900 -18.161 9.615 1.00 1.25 H new ATOM 0 HD2 ARG A 27 8.569 -18.011 6.938 1.00 61.12 H new ATOM 0 HD3 ARG A 27 8.135 -19.373 7.953 1.00 61.12 H new ATOM 0 HE ARG A 27 7.326 -16.625 8.318 1.00 34.40 H new ATOM 0 HH11 ARG A 27 8.213 -19.564 10.061 1.00 35.50 H new ATOM 0 HH12 ARG A 27 7.252 -19.148 11.484 1.00 35.50 H new ATOM 0 HH21 ARG A 27 6.095 -16.098 10.150 1.00 4.54 H new ATOM 0 HH22 ARG A 27 6.058 -17.195 11.535 1.00 4.54 H new ATOM 132 N LEU A 28 13.500 -16.646 6.063 1.00 11.15 N ATOM 133 CA LEU A 28 14.297 -15.603 5.427 1.00 53.21 C ATOM 134 C LEU A 28 14.818 -16.066 4.071 1.00 51.13 C ATOM 135 O LEU A 28 15.323 -17.181 3.935 1.00 35.02 O ATOM 136 CB LEU A 28 15.468 -15.207 6.329 1.00 31.30 C ATOM 137 CG LEU A 28 15.791 -13.714 6.394 1.00 55.55 C ATOM 138 CD1 LEU A 28 15.007 -13.047 7.514 1.00 23.20 C ATOM 139 CD2 LEU A 28 17.284 -13.499 6.584 1.00 24.43 C ATOM 0 H LEU A 28 14.029 -17.265 6.677 1.00 11.15 H new ATOM 0 HA LEU A 28 13.657 -14.735 5.272 1.00 53.21 H new ATOM 0 HB2 LEU A 28 15.256 -15.557 7.339 1.00 31.30 H new ATOM 0 HB3 LEU A 28 16.358 -15.736 5.988 1.00 31.30 H new ATOM 0 HG LEU A 28 15.496 -13.256 5.450 1.00 55.55 H new ATOM 0 HD11 LEU A 28 15.250 -11.985 7.545 1.00 23.20 H new ATOM 0 HD12 LEU A 28 13.939 -13.170 7.334 1.00 23.20 H new ATOM 0 HD13 LEU A 28 15.270 -13.507 8.466 1.00 23.20 H new ATOM 0 HD21 LEU A 28 17.495 -12.431 6.628 1.00 24.43 H new ATOM 0 HD22 LEU A 28 17.604 -13.971 7.513 1.00 24.43 H new ATOM 0 HD23 LEU A 28 17.825 -13.941 5.747 1.00 24.43 H new ATOM 151 N LYS A 29 14.695 -15.202 3.069 1.00 0.12 N ATOM 152 CA LYS A 29 15.157 -15.520 1.723 1.00 3.33 C ATOM 153 C LYS A 29 16.044 -14.407 1.174 1.00 14.13 C ATOM 154 O LYS A 29 16.137 -13.328 1.760 1.00 12.33 O ATOM 155 CB LYS A 29 13.963 -15.740 0.791 1.00 31.42 C ATOM 156 CG LYS A 29 14.161 -16.882 -0.192 1.00 24.54 C ATOM 157 CD LYS A 29 12.854 -17.280 -0.856 1.00 20.14 C ATOM 158 CE LYS A 29 12.554 -16.406 -2.064 1.00 3.11 C ATOM 159 NZ LYS A 29 11.642 -17.083 -3.026 1.00 35.01 N ATOM 0 H LYS A 29 14.279 -14.276 3.164 1.00 0.12 H new ATOM 0 HA LYS A 29 15.745 -16.437 1.775 1.00 3.33 H new ATOM 0 HB2 LYS A 29 13.076 -15.939 1.392 1.00 31.42 H new ATOM 0 HB3 LYS A 29 13.773 -14.822 0.235 1.00 31.42 H new ATOM 0 HG2 LYS A 29 14.882 -16.586 -0.954 1.00 24.54 H new ATOM 0 HG3 LYS A 29 14.582 -17.742 0.328 1.00 24.54 H new ATOM 0 HD2 LYS A 29 12.905 -18.324 -1.165 1.00 20.14 H new ATOM 0 HD3 LYS A 29 12.040 -17.200 -0.136 1.00 20.14 H new ATOM 0 HE2 LYS A 29 12.103 -15.471 -1.732 1.00 3.11 H new ATOM 0 HE3 LYS A 29 13.486 -16.149 -2.567 1.00 3.11 H new ATOM 0 HZ1 LYS A 29 11.462 -16.455 -3.835 1.00 35.01 H new ATOM 0 HZ2 LYS A 29 12.083 -17.963 -3.362 1.00 35.01 H new ATOM 0 HZ3 LYS A 29 10.742 -17.305 -2.554 1.00 35.01 H new ATOM 173 N THR A 30 16.694 -14.675 0.046 1.00 35.55 N ATOM 174 CA THR A 30 17.572 -13.697 -0.581 1.00 5.35 C ATOM 175 C THR A 30 16.782 -12.505 -1.110 1.00 73.40 C ATOM 176 O THR A 30 17.204 -11.357 -0.975 1.00 52.12 O ATOM 177 CB THR A 30 18.374 -14.321 -1.739 1.00 72.23 C ATOM 178 OG1 THR A 30 18.265 -15.748 -1.696 1.00 73.51 O ATOM 179 CG2 THR A 30 19.837 -13.917 -1.665 1.00 4.25 C ATOM 0 H THR A 30 16.628 -15.563 -0.452 1.00 35.55 H new ATOM 0 HA THR A 30 18.264 -13.357 0.189 1.00 5.35 H new ATOM 0 HB THR A 30 17.960 -13.953 -2.678 1.00 72.23 H new ATOM 0 HG1 THR A 30 17.455 -16.029 -2.172 1.00 73.51 H new ATOM 0 HG21 THR A 30 20.382 -14.370 -2.493 1.00 4.25 H new ATOM 0 HG22 THR A 30 19.918 -12.832 -1.728 1.00 4.25 H new ATOM 0 HG23 THR A 30 20.262 -14.259 -0.721 1.00 4.25 H new ATOM 187 N THR A 31 15.629 -12.787 -1.710 1.00 44.34 N ATOM 188 CA THR A 31 14.779 -11.739 -2.260 1.00 53.24 C ATOM 189 C THR A 31 13.359 -11.839 -1.713 1.00 21.22 C ATOM 190 O THR A 31 12.386 -11.708 -2.455 1.00 45.04 O ATOM 191 CB THR A 31 14.730 -11.804 -3.799 1.00 15.32 C ATOM 192 OG1 THR A 31 14.457 -13.144 -4.224 1.00 13.53 O ATOM 193 CG2 THR A 31 16.043 -11.333 -4.403 1.00 4.42 C ATOM 0 H THR A 31 15.263 -13.732 -1.827 1.00 44.34 H new ATOM 0 HA THR A 31 15.216 -10.787 -1.958 1.00 53.24 H new ATOM 0 HB THR A 31 13.933 -11.144 -4.143 1.00 15.32 H new ATOM 0 HG1 THR A 31 14.426 -13.177 -5.203 1.00 13.53 H new ATOM 0 HG21 THR A 31 15.984 -11.388 -5.490 1.00 4.42 H new ATOM 0 HG22 THR A 31 16.233 -10.303 -4.102 1.00 4.42 H new ATOM 0 HG23 THR A 31 16.855 -11.970 -4.051 1.00 4.42 H new ATOM 201 N SER A 32 13.248 -12.071 -0.409 1.00 33.42 N ATOM 202 CA SER A 32 11.946 -12.192 0.238 1.00 21.42 C ATOM 203 C SER A 32 11.507 -10.856 0.828 1.00 13.03 C ATOM 204 O SER A 32 12.331 -10.064 1.285 1.00 21.23 O ATOM 205 CB SER A 32 11.996 -13.257 1.336 1.00 11.31 C ATOM 206 OG SER A 32 11.376 -14.458 0.911 1.00 63.22 O ATOM 0 H SER A 32 14.043 -12.179 0.220 1.00 33.42 H new ATOM 0 HA SER A 32 11.219 -12.492 -0.516 1.00 21.42 H new ATOM 0 HB2 SER A 32 13.033 -13.456 1.607 1.00 11.31 H new ATOM 0 HB3 SER A 32 11.498 -12.884 2.231 1.00 11.31 H new ATOM 0 HG SER A 32 11.135 -14.996 1.694 1.00 63.22 H new ATOM 212 N THR A 33 10.200 -10.612 0.815 1.00 22.01 N ATOM 213 CA THR A 33 9.649 -9.371 1.346 1.00 33.55 C ATOM 214 C THR A 33 8.958 -9.607 2.685 1.00 41.40 C ATOM 215 O THR A 33 8.207 -8.758 3.164 1.00 51.54 O ATOM 216 CB THR A 33 8.643 -8.739 0.368 1.00 44.13 C ATOM 217 OG1 THR A 33 7.718 -9.730 -0.094 1.00 42.32 O ATOM 218 CG2 THR A 33 9.362 -8.116 -0.820 1.00 64.23 C ATOM 0 H THR A 33 9.503 -11.257 0.443 1.00 22.01 H new ATOM 0 HA THR A 33 10.486 -8.687 1.486 1.00 33.55 H new ATOM 0 HB THR A 33 8.100 -7.955 0.897 1.00 44.13 H new ATOM 0 HG1 THR A 33 7.081 -9.319 -0.714 1.00 42.32 H new ATOM 0 HG21 THR A 33 8.631 -7.676 -1.498 1.00 64.23 H new ATOM 0 HG22 THR A 33 10.043 -7.341 -0.468 1.00 64.23 H new ATOM 0 HG23 THR A 33 9.928 -8.884 -1.347 1.00 64.23 H new ATOM 226 N ASP A 34 9.219 -10.764 3.285 1.00 42.23 N ATOM 227 CA ASP A 34 8.624 -11.110 4.570 1.00 52.33 C ATOM 228 C ASP A 34 8.846 -9.996 5.589 1.00 74.12 C ATOM 229 O ASP A 34 9.722 -9.145 5.434 1.00 13.41 O ATOM 230 CB ASP A 34 9.212 -12.421 5.093 1.00 64.13 C ATOM 231 CG ASP A 34 8.296 -13.604 4.849 1.00 32.43 C ATOM 232 OD1 ASP A 34 8.204 -14.055 3.687 1.00 2.33 O ATOM 233 OD2 ASP A 34 7.671 -14.081 5.820 1.00 63.12 O ATOM 0 H ASP A 34 9.839 -11.478 2.901 1.00 42.23 H new ATOM 0 HA ASP A 34 7.551 -11.236 4.423 1.00 52.33 H new ATOM 0 HB2 ASP A 34 10.172 -12.603 4.611 1.00 64.13 H new ATOM 0 HB3 ASP A 34 9.405 -12.329 6.162 1.00 64.13 H new ATOM 238 N PRO A 35 8.034 -10.000 6.657 1.00 75.32 N ATOM 239 CA PRO A 35 8.122 -8.997 7.722 1.00 20.10 C ATOM 240 C PRO A 35 9.386 -9.151 8.560 1.00 0.33 C ATOM 241 O PRO A 35 9.956 -10.239 8.649 1.00 72.34 O ATOM 242 CB PRO A 35 6.880 -9.273 8.572 1.00 11.44 C ATOM 243 CG PRO A 35 6.564 -10.708 8.329 1.00 42.32 C ATOM 244 CD PRO A 35 6.967 -10.984 6.907 1.00 63.01 C ATOM 0 HA PRO A 35 8.167 -7.983 7.325 1.00 20.10 H new ATOM 0 HB2 PRO A 35 7.073 -9.084 9.628 1.00 11.44 H new ATOM 0 HB3 PRO A 35 6.050 -8.630 8.280 1.00 11.44 H new ATOM 0 HG2 PRO A 35 7.109 -11.350 9.021 1.00 42.32 H new ATOM 0 HG3 PRO A 35 5.503 -10.905 8.479 1.00 42.32 H new ATOM 0 HD2 PRO A 35 7.326 -12.006 6.782 1.00 63.01 H new ATOM 0 HD3 PRO A 35 6.131 -10.853 6.220 1.00 63.01 H new ATOM 252 N VAL A 36 9.820 -8.055 9.176 1.00 60.43 N ATOM 253 CA VAL A 36 11.017 -8.070 10.009 1.00 62.33 C ATOM 254 C VAL A 36 10.807 -7.263 11.285 1.00 31.44 C ATOM 255 O VAL A 36 9.787 -6.596 11.449 1.00 13.45 O ATOM 256 CB VAL A 36 12.234 -7.506 9.252 1.00 4.35 C ATOM 257 CG1 VAL A 36 12.834 -8.565 8.341 1.00 43.12 C ATOM 258 CG2 VAL A 36 11.841 -6.268 8.459 1.00 32.12 C ATOM 0 H VAL A 36 9.361 -7.146 9.114 1.00 60.43 H new ATOM 0 HA VAL A 36 11.210 -9.111 10.268 1.00 62.33 H new ATOM 0 HB VAL A 36 12.992 -7.217 9.981 1.00 4.35 H new ATOM 0 HG11 VAL A 36 13.693 -8.148 7.815 1.00 43.12 H new ATOM 0 HG12 VAL A 36 13.154 -9.419 8.938 1.00 43.12 H new ATOM 0 HG13 VAL A 36 12.086 -8.888 7.617 1.00 43.12 H new ATOM 0 HG21 VAL A 36 12.713 -5.883 7.930 1.00 32.12 H new ATOM 0 HG22 VAL A 36 11.066 -6.528 7.739 1.00 32.12 H new ATOM 0 HG23 VAL A 36 11.463 -5.505 9.139 1.00 32.12 H new ATOM 268 N SER A 37 11.781 -7.331 12.188 1.00 75.41 N ATOM 269 CA SER A 37 11.701 -6.610 13.453 1.00 4.12 C ATOM 270 C SER A 37 12.274 -5.203 13.313 1.00 31.13 C ATOM 271 O SER A 37 12.511 -4.516 14.306 1.00 11.42 O ATOM 272 CB SER A 37 12.453 -7.373 14.547 1.00 53.45 C ATOM 273 OG SER A 37 11.769 -8.562 14.901 1.00 41.32 O ATOM 0 H SER A 37 12.634 -7.878 12.067 1.00 75.41 H new ATOM 0 HA SER A 37 10.650 -6.530 13.732 1.00 4.12 H new ATOM 0 HB2 SER A 37 13.457 -7.617 14.200 1.00 53.45 H new ATOM 0 HB3 SER A 37 12.565 -6.738 15.426 1.00 53.45 H new ATOM 0 HG SER A 37 12.408 -9.211 15.263 1.00 41.32 H new ATOM 279 N ASP A 38 12.495 -4.782 12.072 1.00 3.20 N ATOM 280 CA ASP A 38 13.039 -3.456 11.800 1.00 21.34 C ATOM 281 C ASP A 38 14.488 -3.358 12.266 1.00 4.55 C ATOM 282 O ASP A 38 14.779 -2.741 13.292 1.00 51.01 O ATOM 283 CB ASP A 38 12.194 -2.383 12.489 1.00 62.50 C ATOM 284 CG ASP A 38 12.312 -1.032 11.813 1.00 3.14 C ATOM 285 OD1 ASP A 38 11.272 -0.364 11.635 1.00 64.13 O ATOM 286 OD2 ASP A 38 13.446 -0.641 11.464 1.00 51.52 O ATOM 0 H ASP A 38 12.306 -5.339 11.239 1.00 3.20 H new ATOM 0 HA ASP A 38 13.011 -3.292 10.723 1.00 21.34 H new ATOM 0 HB2 ASP A 38 11.149 -2.694 12.493 1.00 62.50 H new ATOM 0 HB3 ASP A 38 12.504 -2.294 13.530 1.00 62.50 H new ATOM 291 N ILE A 39 15.392 -3.969 11.508 1.00 14.12 N ATOM 292 CA ILE A 39 16.810 -3.950 11.845 1.00 42.21 C ATOM 293 C ILE A 39 17.652 -3.521 10.649 1.00 60.23 C ATOM 294 O ILE A 39 17.121 -3.086 9.626 1.00 25.01 O ATOM 295 CB ILE A 39 17.292 -5.329 12.329 1.00 32.34 C ATOM 296 CG1 ILE A 39 16.190 -6.374 12.145 1.00 40.15 C ATOM 297 CG2 ILE A 39 17.721 -5.258 13.788 1.00 60.12 C ATOM 298 CD1 ILE A 39 16.570 -7.750 12.646 1.00 15.30 C ATOM 0 H ILE A 39 15.168 -4.483 10.656 1.00 14.12 H new ATOM 0 HA ILE A 39 16.933 -3.228 12.652 1.00 42.21 H new ATOM 0 HB ILE A 39 18.153 -5.626 11.730 1.00 32.34 H new ATOM 0 HG12 ILE A 39 15.294 -6.041 12.668 1.00 40.15 H new ATOM 0 HG13 ILE A 39 15.936 -6.439 11.087 1.00 40.15 H new ATOM 0 HG21 ILE A 39 18.059 -6.241 14.116 1.00 60.12 H new ATOM 0 HG22 ILE A 39 18.535 -4.540 13.894 1.00 60.12 H new ATOM 0 HG23 ILE A 39 16.877 -4.942 14.401 1.00 60.12 H new ATOM 0 HD11 ILE A 39 15.741 -8.438 12.483 1.00 15.30 H new ATOM 0 HD12 ILE A 39 17.448 -8.104 12.105 1.00 15.30 H new ATOM 0 HD13 ILE A 39 16.796 -7.700 13.711 1.00 15.30 H new ATOM 310 N ASP A 40 18.968 -3.647 10.783 1.00 72.32 N ATOM 311 CA ASP A 40 19.885 -3.275 9.712 1.00 64.12 C ATOM 312 C ASP A 40 19.409 -3.826 8.372 1.00 34.55 C ATOM 313 O ASP A 40 19.649 -4.989 8.046 1.00 62.53 O ATOM 314 CB ASP A 40 21.294 -3.788 10.017 1.00 75.14 C ATOM 315 CG ASP A 40 21.766 -3.393 11.402 1.00 22.51 C ATOM 316 OD1 ASP A 40 22.658 -4.081 11.943 1.00 13.54 O ATOM 317 OD2 ASP A 40 21.246 -2.396 11.944 1.00 31.42 O ATOM 0 H ASP A 40 19.423 -4.004 11.623 1.00 72.32 H new ATOM 0 HA ASP A 40 19.908 -2.187 9.649 1.00 64.12 H new ATOM 0 HB2 ASP A 40 21.310 -4.874 9.927 1.00 75.14 H new ATOM 0 HB3 ASP A 40 21.989 -3.397 9.274 1.00 75.14 H new ATOM 322 N VAL A 41 18.729 -2.986 7.599 1.00 1.45 N ATOM 323 CA VAL A 41 18.218 -3.388 6.294 1.00 11.22 C ATOM 324 C VAL A 41 19.353 -3.804 5.365 1.00 71.31 C ATOM 325 O VAL A 41 19.187 -4.683 4.519 1.00 75.14 O ATOM 326 CB VAL A 41 17.416 -2.253 5.631 1.00 0.02 C ATOM 327 CG1 VAL A 41 18.340 -1.122 5.209 1.00 44.22 C ATOM 328 CG2 VAL A 41 16.629 -2.783 4.441 1.00 2.25 C ATOM 0 H VAL A 41 18.519 -2.021 7.854 1.00 1.45 H new ATOM 0 HA VAL A 41 17.558 -4.239 6.461 1.00 11.22 H new ATOM 0 HB VAL A 41 16.708 -1.858 6.359 1.00 0.02 H new ATOM 0 HG11 VAL A 41 17.755 -0.329 4.742 1.00 44.22 H new ATOM 0 HG12 VAL A 41 18.854 -0.726 6.085 1.00 44.22 H new ATOM 0 HG13 VAL A 41 19.074 -1.498 4.497 1.00 44.22 H new ATOM 0 HG21 VAL A 41 16.068 -1.968 3.984 1.00 2.25 H new ATOM 0 HG22 VAL A 41 17.317 -3.205 3.709 1.00 2.25 H new ATOM 0 HG23 VAL A 41 15.938 -3.556 4.777 1.00 2.25 H new ATOM 338 N THR A 42 20.508 -3.168 5.528 1.00 44.00 N ATOM 339 CA THR A 42 21.671 -3.471 4.703 1.00 2.12 C ATOM 340 C THR A 42 22.310 -4.791 5.118 1.00 61.22 C ATOM 341 O THR A 42 23.082 -5.382 4.362 1.00 13.42 O ATOM 342 CB THR A 42 22.728 -2.353 4.788 1.00 15.13 C ATOM 343 OG1 THR A 42 23.179 -2.208 6.140 1.00 64.32 O ATOM 344 CG2 THR A 42 22.158 -1.032 4.295 1.00 50.22 C ATOM 0 H THR A 42 20.664 -2.439 6.224 1.00 44.00 H new ATOM 0 HA THR A 42 21.317 -3.548 3.675 1.00 2.12 H new ATOM 0 HB THR A 42 23.569 -2.628 4.152 1.00 15.13 H new ATOM 0 HG1 THR A 42 23.852 -1.497 6.186 1.00 64.32 H new ATOM 0 HG21 THR A 42 22.922 -0.258 4.364 1.00 50.22 H new ATOM 0 HG22 THR A 42 21.841 -1.137 3.257 1.00 50.22 H new ATOM 0 HG23 THR A 42 21.302 -0.753 4.909 1.00 50.22 H new ATOM 352 N ARG A 43 21.983 -5.250 6.321 1.00 52.23 N ATOM 353 CA ARG A 43 22.525 -6.501 6.836 1.00 42.11 C ATOM 354 C ARG A 43 21.406 -7.486 7.160 1.00 22.52 C ATOM 355 O ARG A 43 21.409 -8.118 8.216 1.00 21.04 O ATOM 356 CB ARG A 43 23.367 -6.240 8.086 1.00 5.21 C ATOM 357 CG ARG A 43 24.359 -5.099 7.925 1.00 13.02 C ATOM 358 CD ARG A 43 25.716 -5.453 8.513 1.00 40.45 C ATOM 359 NE ARG A 43 26.315 -4.327 9.224 1.00 10.34 N ATOM 360 CZ ARG A 43 27.609 -4.244 9.511 1.00 43.11 C ATOM 361 NH1 ARG A 43 28.436 -5.215 9.149 1.00 51.11 N ATOM 362 NH2 ARG A 43 28.079 -3.186 10.161 1.00 63.24 N ATOM 0 H ARG A 43 21.345 -4.774 6.958 1.00 52.23 H new ATOM 0 HA ARG A 43 23.158 -6.939 6.064 1.00 42.11 H new ATOM 0 HB2 ARG A 43 22.703 -6.018 8.921 1.00 5.21 H new ATOM 0 HB3 ARG A 43 23.910 -7.149 8.344 1.00 5.21 H new ATOM 0 HG2 ARG A 43 24.471 -4.859 6.868 1.00 13.02 H new ATOM 0 HG3 ARG A 43 23.971 -4.206 8.415 1.00 13.02 H new ATOM 0 HD2 ARG A 43 25.607 -6.296 9.196 1.00 40.45 H new ATOM 0 HD3 ARG A 43 26.384 -5.774 7.714 1.00 40.45 H new ATOM 0 HE ARG A 43 25.706 -3.562 9.516 1.00 10.34 H new ATOM 0 HH11 ARG A 43 28.079 -6.029 8.648 1.00 51.11 H new ATOM 0 HH12 ARG A 43 29.429 -5.148 9.371 1.00 51.11 H new ATOM 0 HH21 ARG A 43 27.446 -2.436 10.440 1.00 63.24 H new ATOM 0 HH22 ARG A 43 29.073 -3.123 10.381 1.00 63.24 H new ATOM 376 N ARG A 44 20.451 -7.611 6.244 1.00 31.10 N ATOM 377 CA ARG A 44 19.326 -8.518 6.434 1.00 61.03 C ATOM 378 C ARG A 44 19.810 -9.914 6.815 1.00 52.31 C ATOM 379 O ARG A 44 19.179 -10.603 7.617 1.00 4.42 O ATOM 380 CB ARG A 44 18.482 -8.590 5.160 1.00 72.03 C ATOM 381 CG ARG A 44 17.271 -9.502 5.282 1.00 3.43 C ATOM 382 CD ARG A 44 15.972 -8.714 5.207 1.00 62.03 C ATOM 383 NE ARG A 44 15.374 -8.772 3.876 1.00 74.12 N ATOM 384 CZ ARG A 44 14.488 -7.889 3.429 1.00 75.02 C ATOM 385 NH1 ARG A 44 14.101 -6.884 4.202 1.00 42.31 N ATOM 386 NH2 ARG A 44 13.988 -8.009 2.206 1.00 70.34 N ATOM 0 H ARG A 44 20.434 -7.096 5.364 1.00 31.10 H new ATOM 0 HA ARG A 44 18.713 -8.131 7.248 1.00 61.03 H new ATOM 0 HB2 ARG A 44 18.146 -7.586 4.900 1.00 72.03 H new ATOM 0 HB3 ARG A 44 19.108 -8.939 4.339 1.00 72.03 H new ATOM 0 HG2 ARG A 44 17.293 -10.247 4.486 1.00 3.43 H new ATOM 0 HG3 ARG A 44 17.315 -10.044 6.227 1.00 3.43 H new ATOM 0 HD2 ARG A 44 15.267 -9.107 5.939 1.00 62.03 H new ATOM 0 HD3 ARG A 44 16.162 -7.675 5.474 1.00 62.03 H new ATOM 0 HE ARG A 44 15.652 -9.532 3.255 1.00 74.12 H new ATOM 0 HH11 ARG A 44 14.484 -6.787 5.143 1.00 42.31 H new ATOM 0 HH12 ARG A 44 13.421 -6.207 3.856 1.00 42.31 H new ATOM 0 HH21 ARG A 44 14.284 -8.780 1.607 1.00 70.34 H new ATOM 0 HH22 ARG A 44 13.308 -7.330 1.864 1.00 70.34 H new ATOM 400 N GLU A 45 20.933 -10.325 6.234 1.00 22.14 N ATOM 401 CA GLU A 45 21.501 -11.639 6.513 1.00 15.01 C ATOM 402 C GLU A 45 21.764 -11.812 8.006 1.00 1.02 C ATOM 403 O GLU A 45 21.711 -12.924 8.531 1.00 13.54 O ATOM 404 CB GLU A 45 22.800 -11.835 5.729 1.00 41.23 C ATOM 405 CG GLU A 45 23.766 -10.667 5.849 1.00 12.14 C ATOM 406 CD GLU A 45 25.208 -11.115 5.988 1.00 53.12 C ATOM 407 OE1 GLU A 45 25.518 -12.251 5.570 1.00 11.45 O ATOM 408 OE2 GLU A 45 26.025 -10.331 6.514 1.00 64.32 O ATOM 0 H GLU A 45 21.467 -9.767 5.568 1.00 22.14 H new ATOM 0 HA GLU A 45 20.779 -12.393 6.199 1.00 15.01 H new ATOM 0 HB2 GLU A 45 23.293 -12.741 6.080 1.00 41.23 H new ATOM 0 HB3 GLU A 45 22.560 -11.990 4.677 1.00 41.23 H new ATOM 0 HG2 GLU A 45 23.671 -10.030 4.970 1.00 12.14 H new ATOM 0 HG3 GLU A 45 23.493 -10.061 6.713 1.00 12.14 H new ATOM 415 N ALA A 46 22.048 -10.705 8.683 1.00 2.11 N ATOM 416 CA ALA A 46 22.319 -10.733 10.116 1.00 51.40 C ATOM 417 C ALA A 46 21.044 -11.000 10.909 1.00 71.51 C ATOM 418 O ALA A 46 21.098 -11.322 12.097 1.00 54.20 O ATOM 419 CB ALA A 46 22.953 -9.423 10.559 1.00 43.11 C ATOM 0 H ALA A 46 22.097 -9.777 8.263 1.00 2.11 H new ATOM 0 HA ALA A 46 23.017 -11.547 10.314 1.00 51.40 H new ATOM 0 HB1 ALA A 46 23.150 -9.458 11.631 1.00 43.11 H new ATOM 0 HB2 ALA A 46 23.890 -9.273 10.023 1.00 43.11 H new ATOM 0 HB3 ALA A 46 22.274 -8.598 10.342 1.00 43.11 H new ATOM 425 N TYR A 47 19.901 -10.867 10.246 1.00 32.04 N ATOM 426 CA TYR A 47 18.613 -11.091 10.892 1.00 61.44 C ATOM 427 C TYR A 47 18.506 -12.522 11.412 1.00 1.44 C ATOM 428 O TYR A 47 17.621 -12.842 12.207 1.00 42.11 O ATOM 429 CB TYR A 47 17.472 -10.806 9.913 1.00 21.15 C ATOM 430 CG TYR A 47 17.380 -9.356 9.496 1.00 61.11 C ATOM 431 CD1 TYR A 47 16.443 -8.941 8.557 1.00 5.45 C ATOM 432 CD2 TYR A 47 18.230 -8.401 10.040 1.00 25.10 C ATOM 433 CE1 TYR A 47 16.356 -7.616 8.173 1.00 61.21 C ATOM 434 CE2 TYR A 47 18.150 -7.074 9.662 1.00 33.13 C ATOM 435 CZ TYR A 47 17.211 -6.688 8.729 1.00 45.13 C ATOM 436 OH TYR A 47 17.128 -5.367 8.349 1.00 61.05 O ATOM 0 H TYR A 47 19.840 -10.605 9.262 1.00 32.04 H new ATOM 0 HA TYR A 47 18.536 -10.409 11.739 1.00 61.44 H new ATOM 0 HB2 TYR A 47 17.604 -11.423 9.024 1.00 21.15 H new ATOM 0 HB3 TYR A 47 16.529 -11.104 10.371 1.00 21.15 H new ATOM 0 HD1 TYR A 47 15.772 -9.666 8.120 1.00 5.45 H new ATOM 0 HD2 TYR A 47 18.966 -8.701 10.771 1.00 25.10 H new ATOM 0 HE1 TYR A 47 15.623 -7.309 7.442 1.00 61.21 H new ATOM 0 HE2 TYR A 47 18.818 -6.344 10.095 1.00 33.13 H new ATOM 0 HH TYR A 47 16.234 -5.023 8.556 1.00 61.05 H new ATOM 446 N LEU A 48 19.414 -13.379 10.959 1.00 43.42 N ATOM 447 CA LEU A 48 19.425 -14.775 11.378 1.00 74.54 C ATOM 448 C LEU A 48 20.193 -14.946 12.684 1.00 21.53 C ATOM 449 O LEU A 48 20.973 -14.078 13.075 1.00 24.31 O ATOM 450 CB LEU A 48 20.048 -15.651 10.289 1.00 44.42 C ATOM 451 CG LEU A 48 19.089 -16.580 9.543 1.00 11.32 C ATOM 452 CD1 LEU A 48 19.787 -17.227 8.357 1.00 62.21 C ATOM 453 CD2 LEU A 48 18.537 -17.641 10.484 1.00 60.31 C ATOM 0 H LEU A 48 20.153 -13.131 10.301 1.00 43.42 H new ATOM 0 HA LEU A 48 18.393 -15.087 11.541 1.00 74.54 H new ATOM 0 HB2 LEU A 48 20.532 -15.001 9.560 1.00 44.42 H new ATOM 0 HB3 LEU A 48 20.831 -16.259 10.743 1.00 44.42 H new ATOM 0 HG LEU A 48 18.256 -15.986 9.167 1.00 11.32 H new ATOM 0 HD11 LEU A 48 19.089 -17.884 7.838 1.00 62.21 H new ATOM 0 HD12 LEU A 48 20.133 -16.453 7.672 1.00 62.21 H new ATOM 0 HD13 LEU A 48 20.639 -17.808 8.709 1.00 62.21 H new ATOM 0 HD21 LEU A 48 17.856 -18.294 9.937 1.00 60.31 H new ATOM 0 HD22 LEU A 48 19.359 -18.231 10.889 1.00 60.31 H new ATOM 0 HD23 LEU A 48 18.000 -17.159 11.301 1.00 60.31 H new ATOM 465 N SER A 49 19.967 -16.072 13.355 1.00 41.14 N ATOM 466 CA SER A 49 20.637 -16.356 14.619 1.00 75.14 C ATOM 467 C SER A 49 22.114 -16.662 14.394 1.00 42.12 C ATOM 468 O SER A 49 22.508 -17.126 13.324 1.00 32.32 O ATOM 469 CB SER A 49 19.962 -17.534 15.323 1.00 31.45 C ATOM 470 OG SER A 49 18.552 -17.456 15.212 1.00 53.10 O ATOM 0 H SER A 49 19.326 -16.802 13.044 1.00 41.14 H new ATOM 0 HA SER A 49 20.560 -15.471 15.251 1.00 75.14 H new ATOM 0 HB2 SER A 49 20.313 -18.470 14.889 1.00 31.45 H new ATOM 0 HB3 SER A 49 20.247 -17.544 16.375 1.00 31.45 H new ATOM 0 HG SER A 49 18.145 -18.222 15.669 1.00 53.10 H new ATOM 476 N SER A 50 22.929 -16.396 15.411 1.00 11.11 N ATOM 477 CA SER A 50 24.364 -16.639 15.324 1.00 10.44 C ATOM 478 C SER A 50 24.647 -18.067 14.871 1.00 34.43 C ATOM 479 O SER A 50 25.667 -18.338 14.238 1.00 71.21 O ATOM 480 CB SER A 50 25.029 -16.378 16.678 1.00 55.24 C ATOM 481 OG SER A 50 25.272 -17.592 17.368 1.00 72.03 O ATOM 0 H SER A 50 22.620 -16.012 16.304 1.00 11.11 H new ATOM 0 HA SER A 50 24.780 -15.954 14.585 1.00 10.44 H new ATOM 0 HB2 SER A 50 25.969 -15.846 16.529 1.00 55.24 H new ATOM 0 HB3 SER A 50 24.390 -15.734 17.282 1.00 55.24 H new ATOM 0 HG SER A 50 25.699 -17.399 18.229 1.00 72.03 H new ATOM 487 N GLU A 51 23.737 -18.978 15.203 1.00 52.33 N ATOM 488 CA GLU A 51 23.889 -20.380 14.831 1.00 4.22 C ATOM 489 C GLU A 51 23.560 -20.591 13.356 1.00 52.43 C ATOM 490 O GLU A 51 24.391 -21.074 12.588 1.00 10.33 O ATOM 491 CB GLU A 51 22.986 -21.261 15.697 1.00 23.32 C ATOM 492 CG GLU A 51 23.064 -20.939 17.181 1.00 54.24 C ATOM 493 CD GLU A 51 22.426 -22.011 18.043 1.00 3.53 C ATOM 494 OE1 GLU A 51 22.942 -22.262 19.153 1.00 23.13 O ATOM 495 OE2 GLU A 51 21.413 -22.598 17.610 1.00 1.34 O ATOM 0 H GLU A 51 22.888 -18.770 15.728 1.00 52.33 H new ATOM 0 HA GLU A 51 24.929 -20.662 14.997 1.00 4.22 H new ATOM 0 HB2 GLU A 51 21.955 -21.149 15.363 1.00 23.32 H new ATOM 0 HB3 GLU A 51 23.258 -22.306 15.546 1.00 23.32 H new ATOM 0 HG2 GLU A 51 24.108 -20.820 17.469 1.00 54.24 H new ATOM 0 HG3 GLU A 51 22.571 -19.985 17.369 1.00 54.24 H new ATOM 502 N GLU A 52 22.342 -20.224 12.969 1.00 62.42 N ATOM 503 CA GLU A 52 21.903 -20.375 11.587 1.00 53.31 C ATOM 504 C GLU A 52 22.770 -19.542 10.647 1.00 61.33 C ATOM 505 O GLU A 52 23.310 -20.053 9.666 1.00 61.34 O ATOM 506 CB GLU A 52 20.437 -19.961 11.447 1.00 74.32 C ATOM 507 CG GLU A 52 19.459 -21.105 11.659 1.00 71.10 C ATOM 508 CD GLU A 52 18.875 -21.624 10.359 1.00 23.24 C ATOM 509 OE1 GLU A 52 17.688 -21.347 10.090 1.00 32.13 O ATOM 510 OE2 GLU A 52 19.607 -22.307 9.610 1.00 14.34 O ATOM 0 H GLU A 52 21.643 -19.821 13.592 1.00 62.42 H new ATOM 0 HA GLU A 52 22.005 -21.425 11.313 1.00 53.31 H new ATOM 0 HB2 GLU A 52 20.221 -19.171 12.166 1.00 74.32 H new ATOM 0 HB3 GLU A 52 20.280 -19.539 10.454 1.00 74.32 H new ATOM 0 HG2 GLU A 52 19.966 -21.920 12.176 1.00 71.10 H new ATOM 0 HG3 GLU A 52 18.650 -20.770 12.308 1.00 71.10 H new ATOM 517 N PHE A 53 22.898 -18.255 10.954 1.00 71.30 N ATOM 518 CA PHE A 53 23.697 -17.349 10.137 1.00 33.52 C ATOM 519 C PHE A 53 25.082 -17.935 9.873 1.00 1.51 C ATOM 520 O PHE A 53 25.492 -18.095 8.724 1.00 4.12 O ATOM 521 CB PHE A 53 23.828 -15.989 10.824 1.00 23.22 C ATOM 522 CG PHE A 53 24.931 -15.138 10.264 1.00 54.23 C ATOM 523 CD1 PHE A 53 26.231 -15.277 10.721 1.00 4.31 C ATOM 524 CD2 PHE A 53 24.667 -14.199 9.279 1.00 21.15 C ATOM 525 CE1 PHE A 53 27.249 -14.495 10.207 1.00 42.52 C ATOM 526 CE2 PHE A 53 25.680 -13.414 8.762 1.00 72.04 C ATOM 527 CZ PHE A 53 26.972 -13.562 9.226 1.00 61.22 C ATOM 0 H PHE A 53 22.458 -17.816 11.763 1.00 71.30 H new ATOM 0 HA PHE A 53 23.189 -17.217 9.182 1.00 33.52 H new ATOM 0 HB2 PHE A 53 22.884 -15.452 10.732 1.00 23.22 H new ATOM 0 HB3 PHE A 53 24.004 -16.144 11.888 1.00 23.22 H new ATOM 0 HD1 PHE A 53 26.452 -16.005 11.488 1.00 4.31 H new ATOM 0 HD2 PHE A 53 23.658 -14.080 8.912 1.00 21.15 H new ATOM 0 HE1 PHE A 53 28.259 -14.613 10.572 1.00 42.52 H new ATOM 0 HE2 PHE A 53 25.461 -12.685 7.996 1.00 72.04 H new ATOM 0 HZ PHE A 53 27.765 -12.949 8.823 1.00 61.22 H new ATOM 537 N LYS A 54 25.797 -18.251 10.948 1.00 64.34 N ATOM 538 CA LYS A 54 27.137 -18.818 10.834 1.00 13.24 C ATOM 539 C LYS A 54 27.086 -20.211 10.215 1.00 21.43 C ATOM 540 O LYS A 54 28.070 -20.680 9.643 1.00 54.25 O ATOM 541 CB LYS A 54 27.802 -18.884 12.211 1.00 32.33 C ATOM 542 CG LYS A 54 27.537 -20.182 12.953 1.00 61.31 C ATOM 543 CD LYS A 54 28.626 -21.208 12.690 1.00 24.34 C ATOM 544 CE LYS A 54 29.658 -21.225 13.808 1.00 30.24 C ATOM 545 NZ LYS A 54 31.032 -20.956 13.300 1.00 33.23 N ATOM 0 H LYS A 54 25.472 -18.125 11.907 1.00 64.34 H new ATOM 0 HA LYS A 54 27.726 -18.172 10.183 1.00 13.24 H new ATOM 0 HB2 LYS A 54 28.878 -18.757 12.092 1.00 32.33 H new ATOM 0 HB3 LYS A 54 27.447 -18.050 12.817 1.00 32.33 H new ATOM 0 HG2 LYS A 54 27.474 -19.984 14.023 1.00 61.31 H new ATOM 0 HG3 LYS A 54 26.573 -20.587 12.646 1.00 61.31 H new ATOM 0 HD2 LYS A 54 28.179 -22.197 12.591 1.00 24.34 H new ATOM 0 HD3 LYS A 54 29.117 -20.984 11.743 1.00 24.34 H new ATOM 0 HE2 LYS A 54 29.395 -20.477 14.556 1.00 30.24 H new ATOM 0 HE3 LYS A 54 29.638 -22.195 14.305 1.00 30.24 H new ATOM 0 HZ1 LYS A 54 31.705 -20.976 14.092 1.00 33.23 H new ATOM 0 HZ2 LYS A 54 31.294 -21.684 12.605 1.00 33.23 H new ATOM 0 HZ3 LYS A 54 31.058 -20.020 12.848 1.00 33.23 H new ATOM 559 N GLU A 55 25.936 -20.865 10.334 1.00 72.43 N ATOM 560 CA GLU A 55 25.759 -22.205 9.783 1.00 21.13 C ATOM 561 C GLU A 55 25.586 -22.152 8.269 1.00 61.21 C ATOM 562 O GLU A 55 25.895 -23.113 7.563 1.00 41.31 O ATOM 563 CB GLU A 55 24.549 -22.888 10.423 1.00 51.23 C ATOM 564 CG GLU A 55 24.181 -24.210 9.771 1.00 14.42 C ATOM 565 CD GLU A 55 25.349 -25.175 9.711 1.00 31.13 C ATOM 566 OE1 GLU A 55 26.176 -25.163 10.647 1.00 21.11 O ATOM 567 OE2 GLU A 55 25.436 -25.942 8.729 1.00 32.14 O ATOM 0 H GLU A 55 25.113 -20.490 10.806 1.00 72.43 H new ATOM 0 HA GLU A 55 26.655 -22.784 10.008 1.00 21.13 H new ATOM 0 HB2 GLU A 55 24.755 -23.059 11.480 1.00 51.23 H new ATOM 0 HB3 GLU A 55 23.693 -22.216 10.370 1.00 51.23 H new ATOM 0 HG2 GLU A 55 23.363 -24.669 10.326 1.00 14.42 H new ATOM 0 HG3 GLU A 55 23.816 -24.024 8.761 1.00 14.42 H new ATOM 574 N LYS A 56 25.089 -21.023 7.774 1.00 22.44 N ATOM 575 CA LYS A 56 24.874 -20.843 6.343 1.00 24.01 C ATOM 576 C LYS A 56 26.087 -20.189 5.690 1.00 71.21 C ATOM 577 O LYS A 56 26.394 -20.450 4.526 1.00 23.24 O ATOM 578 CB LYS A 56 23.627 -19.991 6.097 1.00 5.04 C ATOM 579 CG LYS A 56 22.397 -20.804 5.737 1.00 52.43 C ATOM 580 CD LYS A 56 22.088 -21.849 6.795 1.00 35.32 C ATOM 581 CE LYS A 56 20.703 -22.445 6.602 1.00 74.42 C ATOM 582 NZ LYS A 56 20.654 -23.878 7.007 1.00 3.23 N ATOM 0 H LYS A 56 24.827 -20.218 8.344 1.00 22.44 H new ATOM 0 HA LYS A 56 24.728 -21.826 5.896 1.00 24.01 H new ATOM 0 HB2 LYS A 56 23.416 -19.405 6.991 1.00 5.04 H new ATOM 0 HB3 LYS A 56 23.833 -19.284 5.293 1.00 5.04 H new ATOM 0 HG2 LYS A 56 21.541 -20.139 5.621 1.00 52.43 H new ATOM 0 HG3 LYS A 56 22.552 -21.294 4.776 1.00 52.43 H new ATOM 0 HD2 LYS A 56 22.835 -22.642 6.754 1.00 35.32 H new ATOM 0 HD3 LYS A 56 22.156 -21.397 7.785 1.00 35.32 H new ATOM 0 HE2 LYS A 56 19.979 -21.878 7.186 1.00 74.42 H new ATOM 0 HE3 LYS A 56 20.411 -22.353 5.556 1.00 74.42 H new ATOM 0 HZ1 LYS A 56 19.693 -24.248 6.860 1.00 3.23 H new ATOM 0 HZ2 LYS A 56 21.327 -24.424 6.432 1.00 3.23 H new ATOM 0 HZ3 LYS A 56 20.908 -23.964 8.012 1.00 3.23 H new ATOM 596 N PHE A 57 26.774 -19.338 6.444 1.00 21.45 N ATOM 597 CA PHE A 57 27.954 -18.647 5.938 1.00 0.41 C ATOM 598 C PHE A 57 29.231 -19.340 6.403 1.00 21.24 C ATOM 599 O PHE A 57 30.313 -19.094 5.870 1.00 33.24 O ATOM 600 CB PHE A 57 27.954 -17.188 6.400 1.00 30.21 C ATOM 601 CG PHE A 57 26.807 -16.387 5.856 1.00 11.33 C ATOM 602 CD1 PHE A 57 26.725 -16.099 4.503 1.00 41.10 C ATOM 603 CD2 PHE A 57 25.810 -15.921 6.698 1.00 52.23 C ATOM 604 CE1 PHE A 57 25.670 -15.362 3.998 1.00 32.22 C ATOM 605 CE2 PHE A 57 24.752 -15.184 6.198 1.00 4.53 C ATOM 606 CZ PHE A 57 24.683 -14.902 4.848 1.00 63.52 C ATOM 0 H PHE A 57 26.534 -19.110 7.409 1.00 21.45 H new ATOM 0 HA PHE A 57 27.922 -18.676 4.849 1.00 0.41 H new ATOM 0 HB2 PHE A 57 27.922 -17.160 7.489 1.00 30.21 H new ATOM 0 HB3 PHE A 57 28.890 -16.719 6.097 1.00 30.21 H new ATOM 0 HD1 PHE A 57 27.495 -16.455 3.835 1.00 41.10 H new ATOM 0 HD2 PHE A 57 25.860 -16.136 7.755 1.00 52.23 H new ATOM 0 HE1 PHE A 57 25.618 -15.146 2.941 1.00 32.22 H new ATOM 0 HE2 PHE A 57 23.979 -14.829 6.864 1.00 4.53 H new ATOM 0 HZ PHE A 57 23.859 -14.323 4.458 1.00 63.52 H new ATOM 616 N GLY A 58 29.098 -20.207 7.403 1.00 41.13 N ATOM 617 CA GLY A 58 30.248 -20.922 7.924 1.00 43.11 C ATOM 618 C GLY A 58 31.118 -20.052 8.808 1.00 25.14 C ATOM 619 O GLY A 58 32.142 -20.505 9.320 1.00 0.33 O ATOM 0 H GLY A 58 28.214 -20.427 7.861 1.00 41.13 H new ATOM 0 HA2 GLY A 58 29.907 -21.787 8.493 1.00 43.11 H new ATOM 0 HA3 GLY A 58 30.843 -21.301 7.093 1.00 43.11 H new ATOM 623 N MET A 59 30.712 -18.800 8.989 1.00 72.12 N ATOM 624 CA MET A 59 31.463 -17.865 9.818 1.00 2.22 C ATOM 625 C MET A 59 30.542 -17.146 10.798 1.00 51.54 C ATOM 626 O MET A 59 29.420 -16.774 10.453 1.00 12.41 O ATOM 627 CB MET A 59 32.192 -16.844 8.942 1.00 52.34 C ATOM 628 CG MET A 59 32.820 -17.450 7.698 1.00 40.33 C ATOM 629 SD MET A 59 34.187 -18.561 8.081 1.00 74.53 S ATOM 630 CE MET A 59 34.305 -19.492 6.555 1.00 24.03 C ATOM 0 H MET A 59 29.867 -18.409 8.573 1.00 72.12 H new ATOM 0 HA MET A 59 32.198 -18.434 10.388 1.00 2.22 H new ATOM 0 HB2 MET A 59 31.489 -16.067 8.642 1.00 52.34 H new ATOM 0 HB3 MET A 59 32.970 -16.360 9.533 1.00 52.34 H new ATOM 0 HG2 MET A 59 32.059 -17.996 7.140 1.00 40.33 H new ATOM 0 HG3 MET A 59 33.178 -16.650 7.050 1.00 40.33 H new ATOM 0 HE1 MET A 59 35.109 -20.223 6.636 1.00 24.03 H new ATOM 0 HE2 MET A 59 33.363 -20.008 6.370 1.00 24.03 H new ATOM 0 HE3 MET A 59 34.515 -18.812 5.729 1.00 24.03 H new ATOM 640 N THR A 60 31.022 -16.952 12.023 1.00 40.44 N ATOM 641 CA THR A 60 30.241 -16.279 13.052 1.00 61.02 C ATOM 642 C THR A 60 30.051 -14.802 12.721 1.00 34.14 C ATOM 643 O THR A 60 30.389 -14.353 11.627 1.00 3.32 O ATOM 644 CB THR A 60 30.909 -16.401 14.434 1.00 23.15 C ATOM 645 OG1 THR A 60 32.046 -17.269 14.353 1.00 12.45 O ATOM 646 CG2 THR A 60 29.927 -16.939 15.464 1.00 22.04 C ATOM 0 H THR A 60 31.949 -17.252 12.326 1.00 40.44 H new ATOM 0 HA THR A 60 29.268 -16.770 13.082 1.00 61.02 H new ATOM 0 HB THR A 60 31.231 -15.408 14.747 1.00 23.15 H new ATOM 0 HG1 THR A 60 32.812 -16.772 13.998 1.00 12.45 H new ATOM 0 HG21 THR A 60 30.421 -17.017 16.432 1.00 22.04 H new ATOM 0 HG22 THR A 60 29.076 -16.262 15.544 1.00 22.04 H new ATOM 0 HG23 THR A 60 29.579 -17.924 15.155 1.00 22.04 H new ATOM 654 N LYS A 61 29.509 -14.053 13.675 1.00 52.13 N ATOM 655 CA LYS A 61 29.275 -12.625 13.486 1.00 24.43 C ATOM 656 C LYS A 61 30.594 -11.870 13.361 1.00 63.43 C ATOM 657 O LYS A 61 30.815 -11.146 12.391 1.00 52.12 O ATOM 658 CB LYS A 61 28.462 -12.062 14.653 1.00 30.35 C ATOM 659 CG LYS A 61 27.040 -11.682 14.277 1.00 1.23 C ATOM 660 CD LYS A 61 26.030 -12.653 14.864 1.00 13.40 C ATOM 661 CE LYS A 61 25.934 -12.512 16.375 1.00 53.21 C ATOM 662 NZ LYS A 61 24.529 -12.305 16.826 1.00 72.14 N ATOM 0 H LYS A 61 29.223 -14.410 14.587 1.00 52.13 H new ATOM 0 HA LYS A 61 28.712 -12.493 12.562 1.00 24.43 H new ATOM 0 HB2 LYS A 61 28.432 -12.801 15.454 1.00 30.35 H new ATOM 0 HB3 LYS A 61 28.971 -11.183 15.049 1.00 30.35 H new ATOM 0 HG2 LYS A 61 26.826 -10.674 14.632 1.00 1.23 H new ATOM 0 HG3 LYS A 61 26.942 -11.665 13.192 1.00 1.23 H new ATOM 0 HD2 LYS A 61 25.051 -12.475 14.418 1.00 13.40 H new ATOM 0 HD3 LYS A 61 26.315 -13.674 14.610 1.00 13.40 H new ATOM 0 HE2 LYS A 61 26.340 -13.406 16.849 1.00 53.21 H new ATOM 0 HE3 LYS A 61 26.547 -11.672 16.701 1.00 53.21 H new ATOM 0 HZ1 LYS A 61 24.507 -12.214 17.862 1.00 72.14 H new ATOM 0 HZ2 LYS A 61 24.150 -11.438 16.394 1.00 72.14 H new ATOM 0 HZ3 LYS A 61 23.948 -13.118 16.538 1.00 72.14 H new ATOM 676 N GLU A 62 31.468 -12.047 14.347 1.00 62.03 N ATOM 677 CA GLU A 62 32.766 -11.382 14.345 1.00 54.13 C ATOM 678 C GLU A 62 33.660 -11.936 13.239 1.00 73.43 C ATOM 679 O GLU A 62 34.508 -11.227 12.699 1.00 64.42 O ATOM 680 CB GLU A 62 33.452 -11.550 15.702 1.00 4.11 C ATOM 681 CG GLU A 62 33.562 -10.257 16.493 1.00 61.34 C ATOM 682 CD GLU A 62 34.157 -10.465 17.872 1.00 74.43 C ATOM 683 OE1 GLU A 62 33.539 -10.013 18.858 1.00 73.11 O ATOM 684 OE2 GLU A 62 35.240 -11.079 17.964 1.00 24.34 O ATOM 0 H GLU A 62 31.301 -12.645 15.157 1.00 62.03 H new ATOM 0 HA GLU A 62 32.601 -10.321 14.158 1.00 54.13 H new ATOM 0 HB2 GLU A 62 32.898 -12.281 16.292 1.00 4.11 H new ATOM 0 HB3 GLU A 62 34.451 -11.957 15.547 1.00 4.11 H new ATOM 0 HG2 GLU A 62 34.177 -9.548 15.939 1.00 61.34 H new ATOM 0 HG3 GLU A 62 32.572 -9.811 16.592 1.00 61.34 H new ATOM 691 N ALA A 63 33.461 -13.207 12.907 1.00 20.53 N ATOM 692 CA ALA A 63 34.247 -13.857 11.865 1.00 13.54 C ATOM 693 C ALA A 63 33.815 -13.389 10.480 1.00 72.23 C ATOM 694 O ALA A 63 34.648 -13.025 9.648 1.00 34.01 O ATOM 695 CB ALA A 63 34.123 -15.370 11.976 1.00 50.44 C ATOM 0 H ALA A 63 32.762 -13.807 13.344 1.00 20.53 H new ATOM 0 HA ALA A 63 35.291 -13.578 12.005 1.00 13.54 H new ATOM 0 HB1 ALA A 63 34.715 -15.842 11.192 1.00 50.44 H new ATOM 0 HB2 ALA A 63 34.487 -15.694 12.951 1.00 50.44 H new ATOM 0 HB3 ALA A 63 33.078 -15.659 11.865 1.00 50.44 H new ATOM 701 N PHE A 64 32.508 -13.401 10.237 1.00 64.44 N ATOM 702 CA PHE A 64 31.966 -12.979 8.950 1.00 52.30 C ATOM 703 C PHE A 64 32.150 -11.478 8.749 1.00 42.11 C ATOM 704 O PHE A 64 32.733 -11.041 7.755 1.00 35.20 O ATOM 705 CB PHE A 64 30.481 -13.339 8.856 1.00 4.24 C ATOM 706 CG PHE A 64 29.915 -13.186 7.473 1.00 1.52 C ATOM 707 CD1 PHE A 64 29.528 -11.942 7.003 1.00 42.03 C ATOM 708 CD2 PHE A 64 29.768 -14.287 6.645 1.00 13.33 C ATOM 709 CE1 PHE A 64 29.006 -11.797 5.731 1.00 3.20 C ATOM 710 CE2 PHE A 64 29.247 -14.148 5.372 1.00 50.21 C ATOM 711 CZ PHE A 64 28.864 -12.902 4.915 1.00 11.14 C ATOM 0 H PHE A 64 31.805 -13.698 10.914 1.00 64.44 H new ATOM 0 HA PHE A 64 32.511 -13.503 8.165 1.00 52.30 H new ATOM 0 HB2 PHE A 64 30.343 -14.369 9.185 1.00 4.24 H new ATOM 0 HB3 PHE A 64 29.918 -12.707 9.543 1.00 4.24 H new ATOM 0 HD1 PHE A 64 29.635 -11.075 7.638 1.00 42.03 H new ATOM 0 HD2 PHE A 64 30.064 -15.264 6.998 1.00 13.33 H new ATOM 0 HE1 PHE A 64 28.710 -10.821 5.376 1.00 3.20 H new ATOM 0 HE2 PHE A 64 29.139 -15.013 4.735 1.00 50.21 H new ATOM 0 HZ PHE A 64 28.454 -12.792 3.922 1.00 11.14 H new ATOM 721 N TYR A 65 31.650 -10.694 9.697 1.00 43.33 N ATOM 722 CA TYR A 65 31.757 -9.241 9.623 1.00 32.21 C ATOM 723 C TYR A 65 33.199 -8.813 9.371 1.00 45.42 C ATOM 724 O TYR A 65 33.454 -7.768 8.771 1.00 35.13 O ATOM 725 CB TYR A 65 31.242 -8.605 10.915 1.00 64.05 C ATOM 726 CG TYR A 65 29.736 -8.626 11.043 1.00 43.25 C ATOM 727 CD1 TYR A 65 28.924 -8.282 9.968 1.00 31.41 C ATOM 728 CD2 TYR A 65 29.125 -8.987 12.236 1.00 2.22 C ATOM 729 CE1 TYR A 65 27.547 -8.300 10.080 1.00 43.21 C ATOM 730 CE2 TYR A 65 27.749 -9.007 12.357 1.00 73.23 C ATOM 731 CZ TYR A 65 26.965 -8.663 11.275 1.00 15.51 C ATOM 732 OH TYR A 65 25.593 -8.681 11.392 1.00 31.22 O ATOM 0 H TYR A 65 31.166 -11.040 10.526 1.00 43.33 H new ATOM 0 HA TYR A 65 31.145 -8.899 8.788 1.00 32.21 H new ATOM 0 HB2 TYR A 65 31.678 -9.128 11.766 1.00 64.05 H new ATOM 0 HB3 TYR A 65 31.588 -7.573 10.965 1.00 64.05 H new ATOM 0 HD1 TYR A 65 29.377 -7.996 9.030 1.00 31.41 H new ATOM 0 HD2 TYR A 65 29.736 -9.257 13.085 1.00 2.22 H new ATOM 0 HE1 TYR A 65 26.930 -8.031 9.235 1.00 43.21 H new ATOM 0 HE2 TYR A 65 27.290 -9.290 13.293 1.00 73.23 H new ATOM 0 HH TYR A 65 25.346 -8.960 12.298 1.00 31.22 H new ATOM 742 N LYS A 66 34.142 -9.629 9.832 1.00 54.13 N ATOM 743 CA LYS A 66 35.559 -9.338 9.657 1.00 64.33 C ATOM 744 C LYS A 66 35.905 -9.186 8.178 1.00 33.54 C ATOM 745 O LYS A 66 36.623 -8.265 7.789 1.00 3.13 O ATOM 746 CB LYS A 66 36.409 -10.448 10.278 1.00 32.33 C ATOM 747 CG LYS A 66 37.226 -9.991 11.475 1.00 21.10 C ATOM 748 CD LYS A 66 37.838 -11.168 12.214 1.00 21.31 C ATOM 749 CE LYS A 66 39.227 -10.836 12.740 1.00 51.32 C ATOM 750 NZ LYS A 66 40.263 -11.750 12.188 1.00 21.32 N ATOM 0 H LYS A 66 33.949 -10.498 10.330 1.00 54.13 H new ATOM 0 HA LYS A 66 35.776 -8.397 10.162 1.00 64.33 H new ATOM 0 HB2 LYS A 66 35.756 -11.265 10.585 1.00 32.33 H new ATOM 0 HB3 LYS A 66 37.083 -10.846 9.519 1.00 32.33 H new ATOM 0 HG2 LYS A 66 38.017 -9.319 11.142 1.00 21.10 H new ATOM 0 HG3 LYS A 66 36.591 -9.424 12.155 1.00 21.10 H new ATOM 0 HD2 LYS A 66 37.192 -11.453 13.044 1.00 21.31 H new ATOM 0 HD3 LYS A 66 37.897 -12.027 11.546 1.00 21.31 H new ATOM 0 HE2 LYS A 66 39.476 -9.807 12.482 1.00 51.32 H new ATOM 0 HE3 LYS A 66 39.228 -10.901 13.828 1.00 51.32 H new ATOM 0 HZ1 LYS A 66 41.195 -11.490 12.571 1.00 21.32 H new ATOM 0 HZ2 LYS A 66 40.040 -12.730 12.455 1.00 21.32 H new ATOM 0 HZ3 LYS A 66 40.280 -11.670 11.151 1.00 21.32 H new ATOM 764 N LEU A 67 35.388 -10.096 7.359 1.00 40.42 N ATOM 765 CA LEU A 67 35.640 -10.062 5.922 1.00 12.52 C ATOM 766 C LEU A 67 35.324 -8.685 5.346 1.00 11.33 C ATOM 767 O LEU A 67 34.638 -7.870 5.963 1.00 42.21 O ATOM 768 CB LEU A 67 34.804 -11.128 5.212 1.00 24.23 C ATOM 769 CG LEU A 67 35.541 -12.412 4.827 1.00 1.14 C ATOM 770 CD1 LEU A 67 36.193 -13.040 6.049 1.00 2.30 C ATOM 771 CD2 LEU A 67 34.588 -13.395 4.163 1.00 2.23 C ATOM 0 H LEU A 67 34.792 -10.866 7.665 1.00 40.42 H new ATOM 0 HA LEU A 67 36.697 -10.270 5.759 1.00 12.52 H new ATOM 0 HB2 LEU A 67 33.966 -11.393 5.857 1.00 24.23 H new ATOM 0 HB3 LEU A 67 34.384 -10.689 4.307 1.00 24.23 H new ATOM 0 HG LEU A 67 36.325 -12.159 4.113 1.00 1.14 H new ATOM 0 HD11 LEU A 67 36.713 -13.952 5.756 1.00 2.30 H new ATOM 0 HD12 LEU A 67 36.907 -12.339 6.481 1.00 2.30 H new ATOM 0 HD13 LEU A 67 35.428 -13.280 6.787 1.00 2.30 H new ATOM 0 HD21 LEU A 67 35.129 -14.303 3.896 1.00 2.23 H new ATOM 0 HD22 LEU A 67 33.782 -13.643 4.854 1.00 2.23 H new ATOM 0 HD23 LEU A 67 34.169 -12.944 3.263 1.00 2.23 H new ATOM 783 N PRO A 68 35.833 -8.420 4.134 1.00 5.33 N ATOM 784 CA PRO A 68 35.617 -7.143 3.446 1.00 35.44 C ATOM 785 C PRO A 68 34.174 -6.971 2.986 1.00 73.43 C ATOM 786 O PRO A 68 33.379 -7.911 3.034 1.00 53.22 O ATOM 787 CB PRO A 68 36.557 -7.225 2.241 1.00 53.00 C ATOM 788 CG PRO A 68 36.727 -8.683 1.992 1.00 60.52 C ATOM 789 CD PRO A 68 36.660 -9.345 3.342 1.00 65.23 C ATOM 0 HA PRO A 68 35.811 -6.291 4.097 1.00 35.44 H new ATOM 0 HB2 PRO A 68 36.132 -6.722 1.372 1.00 53.00 H new ATOM 0 HB3 PRO A 68 37.513 -6.745 2.451 1.00 53.00 H new ATOM 0 HG2 PRO A 68 35.945 -9.060 1.333 1.00 60.52 H new ATOM 0 HG3 PRO A 68 37.680 -8.887 1.504 1.00 60.52 H new ATOM 0 HD2 PRO A 68 36.210 -10.336 3.282 1.00 65.23 H new ATOM 0 HD3 PRO A 68 37.651 -9.471 3.777 1.00 65.23 H new ATOM 797 N LYS A 69 33.840 -5.766 2.538 1.00 42.32 N ATOM 798 CA LYS A 69 32.492 -5.470 2.065 1.00 40.30 C ATOM 799 C LYS A 69 32.181 -6.246 0.790 1.00 75.15 C ATOM 800 O LYS A 69 31.115 -6.851 0.666 1.00 65.41 O ATOM 801 CB LYS A 69 32.336 -3.969 1.813 1.00 52.40 C ATOM 802 CG LYS A 69 31.908 -3.186 3.043 1.00 45.15 C ATOM 803 CD LYS A 69 33.080 -2.926 3.974 1.00 35.34 C ATOM 804 CE LYS A 69 33.108 -3.921 5.125 1.00 64.33 C ATOM 805 NZ LYS A 69 33.760 -3.349 6.336 1.00 62.30 N ATOM 0 H LYS A 69 34.485 -4.977 2.492 1.00 42.32 H new ATOM 0 HA LYS A 69 31.787 -5.777 2.837 1.00 40.30 H new ATOM 0 HB2 LYS A 69 33.283 -3.570 1.450 1.00 52.40 H new ATOM 0 HB3 LYS A 69 31.602 -3.816 1.022 1.00 52.40 H new ATOM 0 HG2 LYS A 69 31.468 -2.237 2.736 1.00 45.15 H new ATOM 0 HG3 LYS A 69 31.134 -3.738 3.576 1.00 45.15 H new ATOM 0 HD2 LYS A 69 34.013 -2.990 3.413 1.00 35.34 H new ATOM 0 HD3 LYS A 69 33.014 -1.912 4.369 1.00 35.34 H new ATOM 0 HE2 LYS A 69 32.089 -4.223 5.369 1.00 64.33 H new ATOM 0 HE3 LYS A 69 33.641 -4.820 4.815 1.00 64.33 H new ATOM 0 HZ1 LYS A 69 33.759 -4.057 7.098 1.00 62.30 H new ATOM 0 HZ2 LYS A 69 34.740 -3.084 6.110 1.00 62.30 H new ATOM 0 HZ3 LYS A 69 33.236 -2.506 6.647 1.00 62.30 H new ATOM 819 N TRP A 70 33.114 -6.224 -0.153 1.00 61.52 N ATOM 820 CA TRP A 70 32.939 -6.927 -1.419 1.00 55.14 C ATOM 821 C TRP A 70 32.674 -8.411 -1.185 1.00 43.44 C ATOM 822 O TRP A 70 31.818 -9.009 -1.837 1.00 14.43 O ATOM 823 CB TRP A 70 34.176 -6.750 -2.301 1.00 50.22 C ATOM 824 CG TRP A 70 35.318 -7.638 -1.906 1.00 43.44 C ATOM 825 CD1 TRP A 70 36.321 -7.341 -1.029 1.00 25.35 C ATOM 826 CD2 TRP A 70 35.575 -8.965 -2.378 1.00 73.11 C ATOM 827 NE1 TRP A 70 37.186 -8.404 -0.927 1.00 42.40 N ATOM 828 CE2 TRP A 70 36.749 -9.413 -1.744 1.00 30.11 C ATOM 829 CE3 TRP A 70 34.925 -9.819 -3.273 1.00 75.35 C ATOM 830 CZ2 TRP A 70 37.286 -10.676 -1.978 1.00 63.54 C ATOM 831 CZ3 TRP A 70 35.459 -11.072 -3.505 1.00 34.42 C ATOM 832 CH2 TRP A 70 36.630 -11.492 -2.859 1.00 53.14 C ATOM 0 H TRP A 70 34.000 -5.727 -0.066 1.00 61.52 H new ATOM 0 HA TRP A 70 32.076 -6.498 -1.928 1.00 55.14 H new ATOM 0 HB2 TRP A 70 33.907 -6.955 -3.337 1.00 50.22 H new ATOM 0 HB3 TRP A 70 34.501 -5.710 -2.255 1.00 50.22 H new ATOM 0 HD1 TRP A 70 36.420 -6.408 -0.494 1.00 25.35 H new ATOM 0 HE1 TRP A 70 38.018 -8.436 -0.338 1.00 42.40 H new ATOM 0 HE3 TRP A 70 34.021 -9.505 -3.774 1.00 75.35 H new ATOM 0 HZ2 TRP A 70 38.189 -11.000 -1.482 1.00 63.54 H new ATOM 0 HZ3 TRP A 70 34.966 -11.739 -4.196 1.00 34.42 H new ATOM 0 HH2 TRP A 70 37.022 -12.478 -3.060 1.00 53.14 H new ATOM 843 N LYS A 71 33.414 -9.000 -0.252 1.00 54.43 N ATOM 844 CA LYS A 71 33.259 -10.413 0.069 1.00 54.13 C ATOM 845 C LYS A 71 32.017 -10.643 0.925 1.00 21.43 C ATOM 846 O LYS A 71 31.342 -11.664 0.794 1.00 21.51 O ATOM 847 CB LYS A 71 34.498 -10.930 0.801 1.00 21.53 C ATOM 848 CG LYS A 71 34.528 -12.441 0.954 1.00 32.44 C ATOM 849 CD LYS A 71 34.913 -13.127 -0.346 1.00 11.12 C ATOM 850 CE LYS A 71 34.507 -14.593 -0.344 1.00 43.55 C ATOM 851 NZ LYS A 71 35.026 -15.313 -1.541 1.00 53.32 N ATOM 0 H LYS A 71 34.128 -8.520 0.296 1.00 54.43 H new ATOM 0 HA LYS A 71 33.142 -10.961 -0.866 1.00 54.13 H new ATOM 0 HB2 LYS A 71 35.389 -10.610 0.260 1.00 21.53 H new ATOM 0 HB3 LYS A 71 34.543 -10.472 1.789 1.00 21.53 H new ATOM 0 HG2 LYS A 71 35.238 -12.714 1.734 1.00 32.44 H new ATOM 0 HG3 LYS A 71 33.548 -12.794 1.276 1.00 32.44 H new ATOM 0 HD2 LYS A 71 34.436 -12.617 -1.183 1.00 11.12 H new ATOM 0 HD3 LYS A 71 35.990 -13.047 -0.496 1.00 11.12 H new ATOM 0 HE2 LYS A 71 34.882 -15.073 0.560 1.00 43.55 H new ATOM 0 HE3 LYS A 71 33.420 -14.669 -0.317 1.00 43.55 H new ATOM 0 HZ1 LYS A 71 34.728 -16.309 -1.503 1.00 53.32 H new ATOM 0 HZ2 LYS A 71 34.648 -14.871 -2.403 1.00 53.32 H new ATOM 0 HZ3 LYS A 71 36.065 -15.262 -1.553 1.00 53.32 H new ATOM 865 N GLN A 72 31.721 -9.687 1.799 1.00 24.05 N ATOM 866 CA GLN A 72 30.560 -9.786 2.676 1.00 74.31 C ATOM 867 C GLN A 72 29.268 -9.832 1.865 1.00 4.42 C ATOM 868 O GLN A 72 28.338 -10.562 2.203 1.00 43.32 O ATOM 869 CB GLN A 72 30.525 -8.606 3.647 1.00 41.41 C ATOM 870 CG GLN A 72 31.086 -8.932 5.022 1.00 75.43 C ATOM 871 CD GLN A 72 30.648 -7.940 6.082 1.00 25.32 C ATOM 872 OE1 GLN A 72 31.468 -7.216 6.648 1.00 22.31 O ATOM 873 NE2 GLN A 72 29.349 -7.901 6.356 1.00 44.25 N ATOM 0 H GLN A 72 32.269 -8.835 1.919 1.00 24.05 H new ATOM 0 HA GLN A 72 30.644 -10.712 3.245 1.00 74.31 H new ATOM 0 HB2 GLN A 72 31.091 -7.778 3.220 1.00 41.41 H new ATOM 0 HB3 GLN A 72 29.495 -8.266 3.755 1.00 41.41 H new ATOM 0 HG2 GLN A 72 30.767 -9.933 5.312 1.00 75.43 H new ATOM 0 HG3 GLN A 72 32.175 -8.947 4.972 1.00 75.43 H new ATOM 0 HE21 GLN A 72 28.705 -8.519 5.863 1.00 44.25 H new ATOM 0 HE22 GLN A 72 28.995 -7.253 7.060 1.00 44.25 H new ATOM 882 N ASN A 73 29.220 -9.045 0.795 1.00 43.12 N ATOM 883 CA ASN A 73 28.042 -8.995 -0.063 1.00 51.13 C ATOM 884 C ASN A 73 27.961 -10.234 -0.950 1.00 10.32 C ATOM 885 O ASN A 73 26.876 -10.653 -1.353 1.00 21.55 O ATOM 886 CB ASN A 73 28.070 -7.735 -0.930 1.00 41.21 C ATOM 887 CG ASN A 73 27.020 -6.722 -0.514 1.00 25.54 C ATOM 888 OD1 ASN A 73 26.558 -6.725 0.627 1.00 74.41 O ATOM 889 ND2 ASN A 73 26.640 -5.850 -1.440 1.00 72.13 N ATOM 0 H ASN A 73 29.982 -8.434 0.502 1.00 43.12 H new ATOM 0 HA ASN A 73 27.159 -8.969 0.576 1.00 51.13 H new ATOM 0 HB2 ASN A 73 29.057 -7.277 -0.868 1.00 41.21 H new ATOM 0 HB3 ASN A 73 27.911 -8.011 -1.972 1.00 41.21 H new ATOM 0 HD21 ASN A 73 25.937 -5.145 -1.218 1.00 72.13 H new ATOM 0 HD22 ASN A 73 27.051 -5.885 -2.373 1.00 72.13 H new ATOM 896 N LYS A 74 29.117 -10.816 -1.250 1.00 22.31 N ATOM 897 CA LYS A 74 29.179 -12.009 -2.087 1.00 5.52 C ATOM 898 C LYS A 74 28.625 -13.222 -1.347 1.00 25.11 C ATOM 899 O LYS A 74 27.737 -13.914 -1.846 1.00 44.51 O ATOM 900 CB LYS A 74 30.622 -12.277 -2.521 1.00 42.22 C ATOM 901 CG LYS A 74 31.154 -11.267 -3.523 1.00 53.13 C ATOM 902 CD LYS A 74 30.854 -11.689 -4.952 1.00 13.21 C ATOM 903 CE LYS A 74 32.131 -11.887 -5.754 1.00 42.53 C ATOM 904 NZ LYS A 74 31.850 -12.081 -7.204 1.00 64.54 N ATOM 0 H LYS A 74 30.024 -10.481 -0.926 1.00 22.31 H new ATOM 0 HA LYS A 74 28.566 -11.835 -2.972 1.00 5.52 H new ATOM 0 HB2 LYS A 74 31.264 -12.275 -1.640 1.00 42.22 H new ATOM 0 HB3 LYS A 74 30.682 -13.274 -2.956 1.00 42.22 H new ATOM 0 HG2 LYS A 74 30.708 -10.291 -3.329 1.00 53.13 H new ATOM 0 HG3 LYS A 74 32.231 -11.157 -3.393 1.00 53.13 H new ATOM 0 HD2 LYS A 74 30.279 -12.615 -4.946 1.00 13.21 H new ATOM 0 HD3 LYS A 74 30.234 -10.933 -5.433 1.00 13.21 H new ATOM 0 HE2 LYS A 74 32.781 -11.022 -5.622 1.00 42.53 H new ATOM 0 HE3 LYS A 74 32.671 -12.752 -5.370 1.00 42.53 H new ATOM 0 HZ1 LYS A 74 32.745 -12.213 -7.717 1.00 64.54 H new ATOM 0 HZ2 LYS A 74 31.251 -12.921 -7.332 1.00 64.54 H new ATOM 0 HZ3 LYS A 74 31.357 -11.245 -7.577 1.00 64.54 H new ATOM 918 N PHE A 75 29.155 -13.475 -0.155 1.00 3.32 N ATOM 919 CA PHE A 75 28.713 -14.605 0.654 1.00 64.03 C ATOM 920 C PHE A 75 27.229 -14.486 0.990 1.00 20.03 C ATOM 921 O PHE A 75 26.510 -15.484 1.038 1.00 50.51 O ATOM 922 CB PHE A 75 29.534 -14.690 1.942 1.00 51.21 C ATOM 923 CG PHE A 75 30.323 -15.961 2.068 1.00 34.11 C ATOM 924 CD1 PHE A 75 29.723 -17.189 1.840 1.00 13.00 C ATOM 925 CD2 PHE A 75 31.665 -15.929 2.414 1.00 73.04 C ATOM 926 CE1 PHE A 75 30.446 -18.362 1.955 1.00 61.13 C ATOM 927 CE2 PHE A 75 32.392 -17.099 2.529 1.00 45.50 C ATOM 928 CZ PHE A 75 31.782 -18.316 2.300 1.00 3.14 C ATOM 0 H PHE A 75 29.891 -12.913 0.272 1.00 3.32 H new ATOM 0 HA PHE A 75 28.864 -15.516 0.074 1.00 64.03 H new ATOM 0 HB2 PHE A 75 30.218 -13.842 1.984 1.00 51.21 H new ATOM 0 HB3 PHE A 75 28.864 -14.602 2.797 1.00 51.21 H new ATOM 0 HD1 PHE A 75 28.678 -17.230 1.569 1.00 13.00 H new ATOM 0 HD2 PHE A 75 32.148 -14.980 2.596 1.00 73.04 H new ATOM 0 HE1 PHE A 75 29.966 -19.313 1.775 1.00 61.13 H new ATOM 0 HE2 PHE A 75 33.437 -17.061 2.798 1.00 45.50 H new ATOM 0 HZ PHE A 75 32.349 -19.231 2.391 1.00 3.14 H new ATOM 938 N LYS A 76 26.779 -13.258 1.223 1.00 55.33 N ATOM 939 CA LYS A 76 25.381 -13.005 1.554 1.00 63.41 C ATOM 940 C LYS A 76 24.452 -13.737 0.591 1.00 24.32 C ATOM 941 O LYS A 76 23.677 -14.602 0.998 1.00 14.40 O ATOM 942 CB LYS A 76 25.090 -11.503 1.516 1.00 34.34 C ATOM 943 CG LYS A 76 24.989 -10.869 2.893 1.00 2.24 C ATOM 944 CD LYS A 76 25.124 -9.357 2.821 1.00 3.22 C ATOM 945 CE LYS A 76 26.092 -8.833 3.871 1.00 32.22 C ATOM 946 NZ LYS A 76 26.801 -7.608 3.410 1.00 64.14 N ATOM 0 H LYS A 76 27.362 -12.422 1.189 1.00 55.33 H new ATOM 0 HA LYS A 76 25.199 -13.379 2.562 1.00 63.41 H new ATOM 0 HB2 LYS A 76 25.877 -11.003 0.952 1.00 34.34 H new ATOM 0 HB3 LYS A 76 24.157 -11.336 0.979 1.00 34.34 H new ATOM 0 HG2 LYS A 76 24.032 -11.129 3.345 1.00 2.24 H new ATOM 0 HG3 LYS A 76 25.767 -11.275 3.539 1.00 2.24 H new ATOM 0 HD2 LYS A 76 25.471 -9.068 1.829 1.00 3.22 H new ATOM 0 HD3 LYS A 76 24.147 -8.896 2.964 1.00 3.22 H new ATOM 0 HE2 LYS A 76 25.548 -8.613 4.789 1.00 32.22 H new ATOM 0 HE3 LYS A 76 26.822 -9.607 4.110 1.00 32.22 H new ATOM 0 HZ1 LYS A 76 27.674 -7.484 3.961 1.00 64.14 H new ATOM 0 HZ2 LYS A 76 27.038 -7.703 2.402 1.00 64.14 H new ATOM 0 HZ3 LYS A 76 26.187 -6.780 3.545 1.00 64.14 H new ATOM 960 N MET A 77 24.538 -13.387 -0.689 1.00 24.15 N ATOM 961 CA MET A 77 23.708 -14.014 -1.709 1.00 74.55 C ATOM 962 C MET A 77 24.080 -15.483 -1.888 1.00 12.53 C ATOM 963 O MET A 77 23.250 -16.300 -2.286 1.00 42.52 O ATOM 964 CB MET A 77 23.852 -13.274 -3.041 1.00 22.15 C ATOM 965 CG MET A 77 25.288 -13.180 -3.531 1.00 20.31 C ATOM 966 SD MET A 77 25.455 -12.152 -5.003 1.00 74.22 S ATOM 967 CE MET A 77 26.178 -13.321 -6.152 1.00 34.33 C ATOM 0 H MET A 77 25.174 -12.673 -1.043 1.00 24.15 H new ATOM 0 HA MET A 77 22.670 -13.958 -1.380 1.00 74.55 H new ATOM 0 HB2 MET A 77 23.251 -13.781 -3.796 1.00 22.15 H new ATOM 0 HB3 MET A 77 23.446 -12.268 -2.934 1.00 22.15 H new ATOM 0 HG2 MET A 77 25.913 -12.773 -2.736 1.00 20.31 H new ATOM 0 HG3 MET A 77 25.660 -14.181 -3.748 1.00 20.31 H new ATOM 0 HE1 MET A 77 26.342 -12.833 -7.113 1.00 34.33 H new ATOM 0 HE2 MET A 77 27.130 -13.677 -5.758 1.00 34.33 H new ATOM 0 HE3 MET A 77 25.502 -14.166 -6.285 1.00 34.33 H new ATOM 977 N ALA A 78 25.332 -15.811 -1.589 1.00 64.50 N ATOM 978 CA ALA A 78 25.814 -17.182 -1.716 1.00 10.32 C ATOM 979 C ALA A 78 24.921 -18.149 -0.945 1.00 63.51 C ATOM 980 O ALA A 78 24.616 -19.242 -1.423 1.00 4.11 O ATOM 981 CB ALA A 78 27.252 -17.282 -1.226 1.00 74.52 C ATOM 0 H ALA A 78 26.031 -15.147 -1.257 1.00 64.50 H new ATOM 0 HA ALA A 78 25.781 -17.459 -2.770 1.00 10.32 H new ATOM 0 HB1 ALA A 78 27.600 -18.310 -1.326 1.00 74.52 H new ATOM 0 HB2 ALA A 78 27.886 -16.625 -1.821 1.00 74.52 H new ATOM 0 HB3 ALA A 78 27.301 -16.983 -0.179 1.00 74.52 H new ATOM 987 N VAL A 79 24.506 -17.741 0.250 1.00 70.32 N ATOM 988 CA VAL A 79 23.648 -18.572 1.086 1.00 23.41 C ATOM 989 C VAL A 79 22.184 -18.173 0.939 1.00 64.50 C ATOM 990 O VAL A 79 21.340 -18.570 1.740 1.00 31.43 O ATOM 991 CB VAL A 79 24.049 -18.476 2.570 1.00 74.22 C ATOM 992 CG1 VAL A 79 25.559 -18.360 2.709 1.00 73.20 C ATOM 993 CG2 VAL A 79 23.351 -17.300 3.235 1.00 24.12 C ATOM 0 H VAL A 79 24.750 -16.840 0.661 1.00 70.32 H new ATOM 0 HA VAL A 79 23.776 -19.600 0.748 1.00 23.41 H new ATOM 0 HB VAL A 79 23.732 -19.389 3.074 1.00 74.22 H new ATOM 0 HG11 VAL A 79 25.823 -18.293 3.764 1.00 73.20 H new ATOM 0 HG12 VAL A 79 26.033 -19.238 2.271 1.00 73.20 H new ATOM 0 HG13 VAL A 79 25.904 -17.465 2.191 1.00 73.20 H new ATOM 0 HG21 VAL A 79 23.646 -17.247 4.283 1.00 24.12 H new ATOM 0 HG22 VAL A 79 23.635 -16.376 2.731 1.00 24.12 H new ATOM 0 HG23 VAL A 79 22.271 -17.433 3.168 1.00 24.12 H new ATOM 1003 N GLN A 80 21.892 -17.386 -0.092 1.00 12.52 N ATOM 1004 CA GLN A 80 20.529 -16.932 -0.343 1.00 22.13 C ATOM 1005 C GLN A 80 20.084 -15.930 0.717 1.00 42.03 C ATOM 1006 O GLN A 80 18.896 -15.815 1.018 1.00 22.23 O ATOM 1007 CB GLN A 80 19.570 -18.124 -0.369 1.00 2.14 C ATOM 1008 CG GLN A 80 20.128 -19.339 -1.091 1.00 24.32 C ATOM 1009 CD GLN A 80 20.736 -18.991 -2.436 1.00 55.13 C ATOM 1010 OE1 GLN A 80 20.021 -18.707 -3.398 1.00 74.43 O ATOM 1011 NE2 GLN A 80 22.062 -19.010 -2.510 1.00 73.33 N ATOM 0 H GLN A 80 22.580 -17.050 -0.766 1.00 12.52 H new ATOM 0 HA GLN A 80 20.511 -16.437 -1.314 1.00 22.13 H new ATOM 0 HB2 GLN A 80 19.322 -18.403 0.655 1.00 2.14 H new ATOM 0 HB3 GLN A 80 18.640 -17.821 -0.851 1.00 2.14 H new ATOM 0 HG2 GLN A 80 20.885 -19.812 -0.466 1.00 24.32 H new ATOM 0 HG3 GLN A 80 19.331 -20.069 -1.235 1.00 24.32 H new ATOM 0 HE21 GLN A 80 22.615 -19.251 -1.688 1.00 73.33 H new ATOM 0 HE22 GLN A 80 22.527 -18.784 -3.389 1.00 73.33 H new ATOM 1020 N LEU A 81 21.046 -15.205 1.278 1.00 21.13 N ATOM 1021 CA LEU A 81 20.754 -14.211 2.305 1.00 60.33 C ATOM 1022 C LEU A 81 21.292 -12.841 1.906 1.00 42.31 C ATOM 1023 O LEU A 81 22.464 -12.533 2.129 1.00 33.45 O ATOM 1024 CB LEU A 81 21.358 -14.639 3.644 1.00 12.11 C ATOM 1025 CG LEU A 81 20.581 -15.702 4.421 1.00 2.24 C ATOM 1026 CD1 LEU A 81 21.216 -15.937 5.783 1.00 22.32 C ATOM 1027 CD2 LEU A 81 19.124 -15.290 4.575 1.00 31.55 C ATOM 0 H LEU A 81 22.034 -15.287 1.039 1.00 21.13 H new ATOM 0 HA LEU A 81 19.671 -14.139 2.408 1.00 60.33 H new ATOM 0 HB2 LEU A 81 22.365 -15.014 3.462 1.00 12.11 H new ATOM 0 HB3 LEU A 81 21.456 -13.755 4.275 1.00 12.11 H new ATOM 0 HG LEU A 81 20.617 -16.635 3.859 1.00 2.24 H new ATOM 0 HD11 LEU A 81 20.650 -16.697 6.322 1.00 22.32 H new ATOM 0 HD12 LEU A 81 22.244 -16.275 5.652 1.00 22.32 H new ATOM 0 HD13 LEU A 81 21.210 -15.008 6.352 1.00 22.32 H new ATOM 0 HD21 LEU A 81 18.585 -16.058 5.130 1.00 31.55 H new ATOM 0 HD22 LEU A 81 19.068 -14.345 5.115 1.00 31.55 H new ATOM 0 HD23 LEU A 81 18.673 -15.172 3.590 1.00 31.55 H new ATOM 1039 N PHE A 82 20.430 -12.020 1.315 1.00 13.13 N ATOM 1040 CA PHE A 82 20.818 -10.682 0.886 1.00 65.30 C ATOM 1041 C PHE A 82 19.668 -9.696 1.072 1.00 71.44 C ATOM 1042 O PHE A 82 18.703 -9.980 1.780 1.00 11.33 O ATOM 1043 CB PHE A 82 21.258 -10.701 -0.579 1.00 73.33 C ATOM 1044 CG PHE A 82 21.873 -9.410 -1.038 1.00 25.42 C ATOM 1045 CD1 PHE A 82 21.111 -8.457 -1.692 1.00 13.41 C ATOM 1046 CD2 PHE A 82 23.217 -9.151 -0.814 1.00 54.21 C ATOM 1047 CE1 PHE A 82 21.675 -7.268 -2.115 1.00 32.04 C ATOM 1048 CE2 PHE A 82 23.785 -7.964 -1.233 1.00 43.24 C ATOM 1049 CZ PHE A 82 23.014 -7.021 -1.886 1.00 42.21 C ATOM 0 H PHE A 82 19.457 -12.259 1.122 1.00 13.13 H new ATOM 0 HA PHE A 82 21.655 -10.357 1.505 1.00 65.30 H new ATOM 0 HB2 PHE A 82 21.976 -11.508 -0.724 1.00 73.33 H new ATOM 0 HB3 PHE A 82 20.395 -10.926 -1.206 1.00 73.33 H new ATOM 0 HD1 PHE A 82 20.063 -8.645 -1.874 1.00 13.41 H new ATOM 0 HD2 PHE A 82 23.826 -9.885 -0.307 1.00 54.21 H new ATOM 0 HE1 PHE A 82 21.069 -6.533 -2.624 1.00 32.04 H new ATOM 0 HE2 PHE A 82 24.832 -7.773 -1.050 1.00 43.24 H new ATOM 0 HZ PHE A 82 23.458 -6.093 -2.216 1.00 42.21 H new TER 1059 PHE A 82