USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 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 72 GLN : amide:sc=-0.00067 K(o=1.4,f=-2.1!) USER MOD Set 1.2: A 73 ASN : amide:sc= 0.376 K(o=1.4,f=-2.2) USER MOD Set 1.3: A 76 LYS NZ :NH3+ -149:sc= 1 (180deg=0.466) USER MOD Single : A 23 HIS : no HE2:sc= -0.427 K(o=-0.43,f=-4.2!) USER MOD Single : A 25 TYR OH : rot -150:sc= 0.442 USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= -0.0163 (180deg=-0.176) USER MOD Single : A 30 THR OG1 : rot -177:sc= -1.63 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= -0.999 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -110:sc=-0.00726 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.47 USER MOD Single : A 49 SER OG : rot 180:sc= 0.103 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=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 60 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0.0359 (180deg=0.0236) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 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 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00927) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.088 X(o=-0.088,f=0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 18.401 -9.243 20.705 1.00 71.21 N ATOM 2 CA LEU A 20 17.394 -8.715 19.789 1.00 23.43 C ATOM 3 C LEU A 20 16.679 -9.846 19.056 1.00 24.05 C ATOM 4 O LEU A 20 17.167 -10.974 18.976 1.00 11.12 O ATOM 5 CB LEU A 20 18.043 -7.768 18.779 1.00 63.01 C ATOM 6 CG LEU A 20 17.782 -6.277 18.994 1.00 1.41 C ATOM 7 CD1 LEU A 20 18.900 -5.652 19.814 1.00 73.01 C ATOM 8 CD2 LEU A 20 17.635 -5.563 17.658 1.00 25.21 C ATOM 0 HA LEU A 20 16.658 -8.164 20.374 1.00 23.43 H new ATOM 0 HB2 LEU A 20 19.120 -7.934 18.796 1.00 63.01 H new ATOM 0 HB3 LEU A 20 17.694 -8.038 17.782 1.00 63.01 H new ATOM 0 HG LEU A 20 16.849 -6.167 19.547 1.00 1.41 H new ATOM 0 HD11 LEU A 20 18.697 -4.591 19.957 1.00 73.01 H new ATOM 0 HD12 LEU A 20 18.958 -6.144 20.785 1.00 73.01 H new ATOM 0 HD13 LEU A 20 19.848 -5.773 19.289 1.00 73.01 H new ATOM 0 HD21 LEU A 20 17.450 -4.503 17.831 1.00 25.21 H new ATOM 0 HD22 LEU A 20 18.551 -5.682 17.079 1.00 25.21 H new ATOM 0 HD23 LEU A 20 16.799 -5.992 17.106 1.00 25.21 H new ATOM 20 N PRO A 21 15.495 -9.538 18.508 1.00 73.23 N ATOM 21 CA PRO A 21 14.688 -10.515 17.769 1.00 14.15 C ATOM 22 C PRO A 21 15.318 -10.897 16.435 1.00 55.21 C ATOM 23 O PRO A 21 15.783 -10.036 15.688 1.00 32.34 O ATOM 24 CB PRO A 21 13.363 -9.782 17.544 1.00 15.24 C ATOM 25 CG PRO A 21 13.718 -8.336 17.584 1.00 1.54 C ATOM 26 CD PRO A 21 14.852 -8.215 18.565 1.00 72.02 C ATOM 0 HA PRO A 21 14.585 -11.454 18.313 1.00 14.15 H new ATOM 0 HB2 PRO A 21 12.918 -10.054 16.587 1.00 15.24 H new ATOM 0 HB3 PRO A 21 12.636 -10.033 18.316 1.00 15.24 H new ATOM 0 HG2 PRO A 21 14.015 -7.980 16.598 1.00 1.54 H new ATOM 0 HG3 PRO A 21 12.865 -7.733 17.897 1.00 1.54 H new ATOM 0 HD2 PRO A 21 15.543 -7.420 18.284 1.00 72.02 H new ATOM 0 HD3 PRO A 21 14.493 -7.986 19.568 1.00 72.02 H new ATOM 34 N ALA A 22 15.328 -12.193 16.140 1.00 44.05 N ATOM 35 CA ALA A 22 15.900 -12.688 14.894 1.00 51.11 C ATOM 36 C ALA A 22 14.904 -13.567 14.145 1.00 61.22 C ATOM 37 O ALA A 22 13.918 -14.032 14.717 1.00 34.25 O ATOM 38 CB ALA A 22 17.182 -13.458 15.170 1.00 2.02 C ATOM 0 H ALA A 22 14.947 -12.919 16.747 1.00 44.05 H new ATOM 0 HA ALA A 22 16.134 -11.830 14.264 1.00 51.11 H new ATOM 0 HB1 ALA A 22 17.598 -13.822 14.230 1.00 2.02 H new ATOM 0 HB2 ALA A 22 17.904 -12.801 15.656 1.00 2.02 H new ATOM 0 HB3 ALA A 22 16.965 -14.304 15.822 1.00 2.02 H new ATOM 44 N HIS A 23 15.168 -13.792 12.861 1.00 12.12 N ATOM 45 CA HIS A 23 14.293 -14.615 12.033 1.00 25.05 C ATOM 46 C HIS A 23 15.037 -15.841 11.512 1.00 32.31 C ATOM 47 O HIS A 23 16.238 -15.802 11.245 1.00 2.32 O ATOM 48 CB HIS A 23 13.747 -13.799 10.863 1.00 41.14 C ATOM 49 CG HIS A 23 13.121 -12.502 11.276 1.00 24.44 C ATOM 50 ND1 HIS A 23 11.955 -12.430 12.009 1.00 41.33 N ATOM 51 CD2 HIS A 23 13.507 -11.223 11.057 1.00 21.41 C ATOM 52 CE1 HIS A 23 11.650 -11.161 12.221 1.00 25.41 C ATOM 53 NE2 HIS A 23 12.576 -10.410 11.655 1.00 42.14 N ATOM 0 H HIS A 23 15.980 -13.416 12.372 1.00 12.12 H new ATOM 0 HA HIS A 23 13.460 -14.952 12.650 1.00 25.05 H new ATOM 0 HB2 HIS A 23 14.558 -13.595 10.164 1.00 41.14 H new ATOM 0 HB3 HIS A 23 13.008 -14.396 10.329 1.00 41.14 H new ATOM 0 HD1 HIS A 23 11.413 -13.230 12.336 1.00 41.33 H new ATOM 0 HD2 HIS A 23 14.383 -10.902 10.514 1.00 21.41 H new ATOM 0 HE1 HIS A 23 10.789 -10.800 12.765 1.00 25.41 H new ATOM 61 N PRO A 24 14.309 -16.957 11.363 1.00 34.40 N ATOM 62 CA PRO A 24 14.878 -18.216 10.873 1.00 5.41 C ATOM 63 C PRO A 24 15.252 -18.146 9.396 1.00 1.24 C ATOM 64 O PRO A 24 14.745 -17.302 8.657 1.00 45.41 O ATOM 65 CB PRO A 24 13.749 -19.226 11.091 1.00 10.20 C ATOM 66 CG PRO A 24 12.502 -18.410 11.073 1.00 20.43 C ATOM 67 CD PRO A 24 12.871 -17.077 11.662 1.00 2.42 C ATOM 0 HA PRO A 24 15.803 -18.473 11.389 1.00 5.41 H new ATOM 0 HB2 PRO A 24 13.738 -19.983 10.307 1.00 10.20 H new ATOM 0 HB3 PRO A 24 13.865 -19.751 12.039 1.00 10.20 H new ATOM 0 HG2 PRO A 24 12.125 -18.297 10.057 1.00 20.43 H new ATOM 0 HG3 PRO A 24 11.714 -18.889 11.654 1.00 20.43 H new ATOM 0 HD2 PRO A 24 12.298 -16.266 11.212 1.00 2.42 H new ATOM 0 HD3 PRO A 24 12.680 -17.045 12.735 1.00 2.42 H new ATOM 75 N TYR A 25 16.140 -19.038 8.973 1.00 41.22 N ATOM 76 CA TYR A 25 16.583 -19.076 7.584 1.00 31.13 C ATOM 77 C TYR A 25 15.443 -19.496 6.661 1.00 65.45 C ATOM 78 O TYR A 25 15.351 -19.037 5.522 1.00 31.32 O ATOM 79 CB TYR A 25 17.762 -20.038 7.429 1.00 30.53 C ATOM 80 CG TYR A 25 18.250 -20.174 6.004 1.00 35.30 C ATOM 81 CD1 TYR A 25 17.693 -21.115 5.146 1.00 72.34 C ATOM 82 CD2 TYR A 25 19.266 -19.363 5.516 1.00 62.22 C ATOM 83 CE1 TYR A 25 18.135 -21.244 3.844 1.00 11.10 C ATOM 84 CE2 TYR A 25 19.714 -19.484 4.215 1.00 60.10 C ATOM 85 CZ TYR A 25 19.145 -20.426 3.382 1.00 25.01 C ATOM 86 OH TYR A 25 19.589 -20.550 2.086 1.00 62.21 O ATOM 0 H TYR A 25 16.568 -19.745 9.572 1.00 41.22 H new ATOM 0 HA TYR A 25 16.903 -18.073 7.303 1.00 31.13 H new ATOM 0 HB2 TYR A 25 18.585 -19.694 8.055 1.00 30.53 H new ATOM 0 HB3 TYR A 25 17.469 -21.021 7.799 1.00 30.53 H new ATOM 0 HD1 TYR A 25 16.901 -21.756 5.504 1.00 72.34 H new ATOM 0 HD2 TYR A 25 19.714 -18.625 6.165 1.00 62.22 H new ATOM 0 HE1 TYR A 25 17.692 -21.981 3.191 1.00 11.10 H new ATOM 0 HE2 TYR A 25 20.505 -18.845 3.852 1.00 60.10 H new ATOM 0 HH TYR A 25 20.536 -20.301 2.039 1.00 62.21 H new ATOM 96 N ASP A 26 14.579 -20.372 7.159 1.00 23.04 N ATOM 97 CA ASP A 26 13.444 -20.854 6.382 1.00 62.44 C ATOM 98 C ASP A 26 12.509 -19.706 6.014 1.00 22.20 C ATOM 99 O ASP A 26 11.800 -19.767 5.010 1.00 34.11 O ATOM 100 CB ASP A 26 12.677 -21.922 7.165 1.00 41.24 C ATOM 101 CG ASP A 26 12.954 -23.323 6.657 1.00 21.11 C ATOM 102 OD1 ASP A 26 13.681 -24.071 7.344 1.00 15.24 O ATOM 103 OD2 ASP A 26 12.443 -23.673 5.573 1.00 14.42 O ATOM 0 H ASP A 26 14.643 -20.764 8.099 1.00 23.04 H new ATOM 0 HA ASP A 26 13.828 -21.295 5.462 1.00 62.44 H new ATOM 0 HB2 ASP A 26 12.948 -21.861 8.219 1.00 41.24 H new ATOM 0 HB3 ASP A 26 11.608 -21.719 7.099 1.00 41.24 H new ATOM 108 N ARG A 27 12.514 -18.660 6.834 1.00 64.40 N ATOM 109 CA ARG A 27 11.666 -17.499 6.597 1.00 73.42 C ATOM 110 C ARG A 27 12.408 -16.439 5.789 1.00 60.13 C ATOM 111 O ARG A 27 11.792 -15.613 5.113 1.00 21.34 O ATOM 112 CB ARG A 27 11.194 -16.906 7.925 1.00 14.42 C ATOM 113 CG ARG A 27 10.073 -17.695 8.581 1.00 14.45 C ATOM 114 CD ARG A 27 8.713 -17.289 8.034 1.00 30.04 C ATOM 115 NE ARG A 27 8.198 -18.258 7.070 1.00 5.24 N ATOM 116 CZ ARG A 27 7.788 -19.477 7.403 1.00 40.24 C ATOM 117 NH1 ARG A 27 7.829 -19.874 8.667 1.00 43.44 N ATOM 118 NH2 ARG A 27 7.333 -20.302 6.468 1.00 23.21 N ATOM 0 H ARG A 27 13.096 -18.593 7.669 1.00 64.40 H new ATOM 0 HA ARG A 27 10.798 -17.826 6.024 1.00 73.42 H new ATOM 0 HB2 ARG A 27 12.040 -16.854 8.611 1.00 14.42 H new ATOM 0 HB3 ARG A 27 10.857 -15.883 7.757 1.00 14.42 H new ATOM 0 HG2 ARG A 27 10.230 -18.761 8.414 1.00 14.45 H new ATOM 0 HG3 ARG A 27 10.096 -17.534 9.659 1.00 14.45 H new ATOM 0 HD2 ARG A 27 8.007 -17.187 8.858 1.00 30.04 H new ATOM 0 HD3 ARG A 27 8.791 -16.311 7.559 1.00 30.04 H new ATOM 0 HE ARG A 27 8.151 -17.984 6.089 1.00 5.24 H new ATOM 0 HH11 ARG A 27 8.176 -19.243 9.389 1.00 43.44 H new ATOM 0 HH12 ARG A 27 7.513 -20.811 8.918 1.00 43.44 H new ATOM 0 HH21 ARG A 27 7.298 -20.000 5.494 1.00 23.21 H new ATOM 0 HH22 ARG A 27 7.018 -21.238 6.723 1.00 23.21 H new ATOM 132 N LEU A 28 13.734 -16.468 5.862 1.00 20.33 N ATOM 133 CA LEU A 28 14.562 -15.510 5.138 1.00 11.53 C ATOM 134 C LEU A 28 14.922 -16.038 3.752 1.00 31.55 C ATOM 135 O LEU A 28 15.330 -17.190 3.602 1.00 20.31 O ATOM 136 CB LEU A 28 15.837 -15.207 5.928 1.00 13.02 C ATOM 137 CG LEU A 28 15.710 -14.150 7.026 1.00 23.23 C ATOM 138 CD1 LEU A 28 16.495 -14.567 8.260 1.00 44.11 C ATOM 139 CD2 LEU A 28 16.187 -12.797 6.520 1.00 3.02 C ATOM 0 H LEU A 28 14.259 -17.145 6.416 1.00 20.33 H new ATOM 0 HA LEU A 28 13.989 -14.590 5.019 1.00 11.53 H new ATOM 0 HB2 LEU A 28 16.188 -16.134 6.382 1.00 13.02 H new ATOM 0 HB3 LEU A 28 16.607 -14.884 5.227 1.00 13.02 H new ATOM 0 HG LEU A 28 14.659 -14.063 7.301 1.00 23.23 H new ATOM 0 HD11 LEU A 28 16.393 -13.803 9.031 1.00 44.11 H new ATOM 0 HD12 LEU A 28 16.108 -15.515 8.635 1.00 44.11 H new ATOM 0 HD13 LEU A 28 17.547 -14.682 8.000 1.00 44.11 H new ATOM 0 HD21 LEU A 28 16.090 -12.057 7.314 1.00 3.02 H new ATOM 0 HD22 LEU A 28 17.232 -12.869 6.217 1.00 3.02 H new ATOM 0 HD23 LEU A 28 15.582 -12.494 5.665 1.00 3.02 H new ATOM 151 N LYS A 29 14.770 -15.188 2.743 1.00 1.23 N ATOM 152 CA LYS A 29 15.082 -15.567 1.370 1.00 33.01 C ATOM 153 C LYS A 29 15.973 -14.522 0.706 1.00 3.14 C ATOM 154 O LYS A 29 15.903 -13.335 1.029 1.00 20.23 O ATOM 155 CB LYS A 29 13.794 -15.741 0.562 1.00 62.00 C ATOM 156 CG LYS A 29 13.840 -16.907 -0.411 1.00 34.44 C ATOM 157 CD LYS A 29 13.102 -16.586 -1.700 1.00 23.24 C ATOM 158 CE LYS A 29 13.047 -17.792 -2.626 1.00 23.25 C ATOM 159 NZ LYS A 29 14.407 -18.299 -2.956 1.00 64.43 N ATOM 0 H LYS A 29 14.432 -14.231 2.850 1.00 1.23 H new ATOM 0 HA LYS A 29 15.620 -16.515 1.395 1.00 33.01 H new ATOM 0 HB2 LYS A 29 12.960 -15.885 1.249 1.00 62.00 H new ATOM 0 HB3 LYS A 29 13.596 -14.824 0.008 1.00 62.00 H new ATOM 0 HG2 LYS A 29 14.878 -17.154 -0.636 1.00 34.44 H new ATOM 0 HG3 LYS A 29 13.397 -17.788 0.054 1.00 34.44 H new ATOM 0 HD2 LYS A 29 12.089 -16.257 -1.468 1.00 23.24 H new ATOM 0 HD3 LYS A 29 13.597 -15.758 -2.208 1.00 23.24 H new ATOM 0 HE2 LYS A 29 12.468 -18.586 -2.155 1.00 23.25 H new ATOM 0 HE3 LYS A 29 12.527 -17.521 -3.545 1.00 23.25 H new ATOM 0 HZ1 LYS A 29 14.339 -19.006 -3.715 1.00 64.43 H new ATOM 0 HZ2 LYS A 29 15.005 -17.509 -3.271 1.00 64.43 H new ATOM 0 HZ3 LYS A 29 14.829 -18.737 -2.112 1.00 64.43 H new ATOM 173 N THR A 30 16.810 -14.969 -0.224 1.00 64.21 N ATOM 174 CA THR A 30 17.715 -14.073 -0.933 1.00 13.41 C ATOM 175 C THR A 30 16.971 -12.858 -1.477 1.00 74.43 C ATOM 176 O THR A 30 17.467 -11.734 -1.416 1.00 44.31 O ATOM 177 CB THR A 30 18.420 -14.793 -2.097 1.00 63.04 C ATOM 178 OG1 THR A 30 18.309 -16.211 -1.937 1.00 33.30 O ATOM 179 CG2 THR A 30 19.889 -14.400 -2.167 1.00 10.14 C ATOM 0 H THR A 30 16.880 -15.947 -0.504 1.00 64.21 H new ATOM 0 HA THR A 30 18.464 -13.744 -0.212 1.00 13.41 H new ATOM 0 HB THR A 30 17.935 -14.494 -3.026 1.00 63.04 H new ATOM 0 HG1 THR A 30 18.800 -16.661 -2.656 1.00 33.30 H new ATOM 0 HG21 THR A 30 20.366 -14.921 -2.997 1.00 10.14 H new ATOM 0 HG22 THR A 30 19.971 -13.324 -2.319 1.00 10.14 H new ATOM 0 HG23 THR A 30 20.384 -14.673 -1.235 1.00 10.14 H new ATOM 187 N THR A 31 15.775 -13.093 -2.010 1.00 10.01 N ATOM 188 CA THR A 31 14.963 -12.018 -2.565 1.00 72.11 C ATOM 189 C THR A 31 13.575 -11.996 -1.935 1.00 70.11 C ATOM 190 O THR A 31 12.570 -11.838 -2.629 1.00 3.34 O ATOM 191 CB THR A 31 14.818 -12.156 -4.093 1.00 44.31 C ATOM 192 OG1 THR A 31 14.345 -13.466 -4.425 1.00 0.02 O ATOM 193 CG2 THR A 31 16.147 -11.900 -4.787 1.00 20.40 C ATOM 0 H THR A 31 15.348 -14.018 -2.069 1.00 10.01 H new ATOM 0 HA THR A 31 15.477 -11.084 -2.338 1.00 72.11 H new ATOM 0 HB THR A 31 14.098 -11.413 -4.436 1.00 44.31 H new ATOM 0 HG1 THR A 31 14.254 -13.544 -5.398 1.00 0.02 H new ATOM 0 HG21 THR A 31 16.020 -12.003 -5.865 1.00 20.40 H new ATOM 0 HG22 THR A 31 16.489 -10.891 -4.557 1.00 20.40 H new ATOM 0 HG23 THR A 31 16.885 -12.622 -4.438 1.00 20.40 H new ATOM 201 N SER A 32 13.526 -12.155 -0.617 1.00 21.34 N ATOM 202 CA SER A 32 12.261 -12.157 0.108 1.00 54.03 C ATOM 203 C SER A 32 11.839 -10.736 0.468 1.00 4.45 C ATOM 204 O SER A 32 12.663 -9.819 0.499 1.00 72.54 O ATOM 205 CB SER A 32 12.374 -13.006 1.376 1.00 42.54 C ATOM 206 OG SER A 32 11.513 -14.128 1.316 1.00 62.44 O ATOM 0 H SER A 32 14.349 -12.284 -0.028 1.00 21.34 H new ATOM 0 HA SER A 32 11.500 -12.590 -0.541 1.00 54.03 H new ATOM 0 HB2 SER A 32 13.404 -13.340 1.503 1.00 42.54 H new ATOM 0 HB3 SER A 32 12.126 -12.399 2.247 1.00 42.54 H new ATOM 0 HG SER A 32 11.484 -14.565 2.193 1.00 62.44 H new ATOM 212 N THR A 33 10.551 -10.558 0.743 1.00 15.23 N ATOM 213 CA THR A 33 10.019 -9.249 1.101 1.00 1.01 C ATOM 214 C THR A 33 9.254 -9.308 2.419 1.00 71.45 C ATOM 215 O THR A 33 8.653 -8.321 2.844 1.00 63.33 O ATOM 216 CB THR A 33 9.088 -8.702 0.004 1.00 51.11 C ATOM 217 OG1 THR A 33 8.164 -9.717 -0.407 1.00 44.32 O ATOM 218 CG2 THR A 33 9.890 -8.222 -1.197 1.00 33.21 C ATOM 0 H THR A 33 9.856 -11.305 0.725 1.00 15.23 H new ATOM 0 HA THR A 33 10.873 -8.580 1.209 1.00 1.01 H new ATOM 0 HB THR A 33 8.537 -7.856 0.415 1.00 51.11 H new ATOM 0 HG1 THR A 33 7.574 -9.360 -1.104 1.00 44.32 H new ATOM 0 HG21 THR A 33 9.211 -7.840 -1.959 1.00 33.21 H new ATOM 0 HG22 THR A 33 10.570 -7.429 -0.887 1.00 33.21 H new ATOM 0 HG23 THR A 33 10.464 -9.053 -1.607 1.00 33.21 H new ATOM 226 N ASP A 34 9.280 -10.472 3.060 1.00 13.22 N ATOM 227 CA ASP A 34 8.589 -10.659 4.330 1.00 22.34 C ATOM 228 C ASP A 34 8.970 -9.564 5.323 1.00 74.02 C ATOM 229 O ASP A 34 9.988 -8.889 5.179 1.00 2.01 O ATOM 230 CB ASP A 34 8.918 -12.033 4.917 1.00 24.24 C ATOM 231 CG ASP A 34 7.751 -12.996 4.829 1.00 41.33 C ATOM 232 OD1 ASP A 34 6.928 -12.848 3.901 1.00 51.52 O ATOM 233 OD2 ASP A 34 7.659 -13.897 5.687 1.00 25.32 O ATOM 0 H ASP A 34 9.772 -11.299 2.721 1.00 13.22 H new ATOM 0 HA ASP A 34 7.517 -10.599 4.144 1.00 22.34 H new ATOM 0 HB2 ASP A 34 9.773 -12.455 4.389 1.00 24.24 H new ATOM 0 HB3 ASP A 34 9.212 -11.918 5.960 1.00 24.24 H new ATOM 238 N PRO A 35 8.131 -9.383 6.354 1.00 31.24 N ATOM 239 CA PRO A 35 8.359 -8.371 7.390 1.00 55.32 C ATOM 240 C PRO A 35 9.543 -8.714 8.287 1.00 63.44 C ATOM 241 O PRO A 35 9.997 -9.859 8.321 1.00 3.31 O ATOM 242 CB PRO A 35 7.056 -8.388 8.194 1.00 3.43 C ATOM 243 CG PRO A 35 6.498 -9.753 7.983 1.00 41.23 C ATOM 244 CD PRO A 35 6.897 -10.151 6.589 1.00 61.31 C ATOM 0 HA PRO A 35 8.600 -7.398 6.963 1.00 55.32 H new ATOM 0 HB2 PRO A 35 7.240 -8.195 9.251 1.00 3.43 H new ATOM 0 HB3 PRO A 35 6.366 -7.620 7.845 1.00 3.43 H new ATOM 0 HG2 PRO A 35 6.894 -10.454 8.718 1.00 41.23 H new ATOM 0 HG3 PRO A 35 5.414 -9.753 8.094 1.00 41.23 H new ATOM 0 HD2 PRO A 35 7.071 -11.224 6.512 1.00 61.31 H new ATOM 0 HD3 PRO A 35 6.124 -9.901 5.863 1.00 61.31 H new ATOM 252 N VAL A 36 10.040 -7.716 9.011 1.00 20.40 N ATOM 253 CA VAL A 36 11.172 -7.914 9.909 1.00 72.12 C ATOM 254 C VAL A 36 10.959 -7.182 11.229 1.00 23.44 C ATOM 255 O VAL A 36 9.990 -6.441 11.391 1.00 31.52 O ATOM 256 CB VAL A 36 12.486 -7.428 9.271 1.00 60.43 C ATOM 257 CG1 VAL A 36 13.052 -8.489 8.340 1.00 63.31 C ATOM 258 CG2 VAL A 36 12.265 -6.119 8.528 1.00 24.53 C ATOM 0 H VAL A 36 9.677 -6.763 8.993 1.00 20.40 H new ATOM 0 HA VAL A 36 11.244 -8.985 10.098 1.00 72.12 H new ATOM 0 HB VAL A 36 13.211 -7.251 10.065 1.00 60.43 H new ATOM 0 HG11 VAL A 36 13.981 -8.128 7.898 1.00 63.31 H new ATOM 0 HG12 VAL A 36 13.249 -9.400 8.904 1.00 63.31 H new ATOM 0 HG13 VAL A 36 12.332 -8.700 7.549 1.00 63.31 H new ATOM 0 HG21 VAL A 36 13.204 -5.790 8.083 1.00 24.53 H new ATOM 0 HG22 VAL A 36 11.524 -6.267 7.743 1.00 24.53 H new ATOM 0 HG23 VAL A 36 11.908 -5.361 9.225 1.00 24.53 H new ATOM 268 N SER A 37 11.873 -7.395 12.171 1.00 40.23 N ATOM 269 CA SER A 37 11.784 -6.757 13.480 1.00 1.11 C ATOM 270 C SER A 37 12.433 -5.376 13.457 1.00 71.14 C ATOM 271 O SER A 37 12.670 -4.772 14.502 1.00 25.24 O ATOM 272 CB SER A 37 12.456 -7.630 14.542 1.00 32.44 C ATOM 273 OG SER A 37 11.509 -8.464 15.189 1.00 52.22 O ATOM 0 H SER A 37 12.683 -8.004 12.052 1.00 40.23 H new ATOM 0 HA SER A 37 10.729 -6.640 13.729 1.00 1.11 H new ATOM 0 HB2 SER A 37 13.229 -8.243 14.078 1.00 32.44 H new ATOM 0 HB3 SER A 37 12.951 -6.997 15.278 1.00 32.44 H new ATOM 0 HG SER A 37 11.384 -8.162 16.113 1.00 52.22 H new ATOM 279 N ASP A 38 12.716 -4.883 12.256 1.00 70.24 N ATOM 280 CA ASP A 38 13.337 -3.573 12.094 1.00 21.11 C ATOM 281 C ASP A 38 14.782 -3.592 12.582 1.00 21.44 C ATOM 282 O ASP A 38 15.090 -3.081 13.660 1.00 54.04 O ATOM 283 CB ASP A 38 12.541 -2.511 12.856 1.00 25.25 C ATOM 284 CG ASP A 38 12.742 -1.121 12.289 1.00 14.52 C ATOM 285 OD1 ASP A 38 11.735 -0.405 12.101 1.00 31.04 O ATOM 286 OD2 ASP A 38 13.905 -0.746 12.033 1.00 52.15 O ATOM 0 H ASP A 38 12.525 -5.371 11.381 1.00 70.24 H new ATOM 0 HA ASP A 38 13.335 -3.326 11.032 1.00 21.11 H new ATOM 0 HB2 ASP A 38 11.481 -2.763 12.825 1.00 25.25 H new ATOM 0 HB3 ASP A 38 12.840 -2.520 13.904 1.00 25.25 H new ATOM 291 N ILE A 39 15.663 -4.185 11.785 1.00 73.34 N ATOM 292 CA ILE A 39 17.075 -4.271 12.136 1.00 13.14 C ATOM 293 C ILE A 39 17.958 -3.838 10.971 1.00 51.22 C ATOM 294 O ILE A 39 17.469 -3.322 9.966 1.00 2.53 O ATOM 295 CB ILE A 39 17.464 -5.700 12.557 1.00 4.35 C ATOM 296 CG1 ILE A 39 16.356 -6.686 12.183 1.00 21.42 C ATOM 297 CG2 ILE A 39 17.746 -5.753 14.051 1.00 25.40 C ATOM 298 CD1 ILE A 39 15.210 -6.710 13.171 1.00 62.32 C ATOM 0 H ILE A 39 15.424 -4.614 10.891 1.00 73.34 H new ATOM 0 HA ILE A 39 17.233 -3.597 12.978 1.00 13.14 H new ATOM 0 HB ILE A 39 18.372 -5.985 12.025 1.00 4.35 H new ATOM 0 HG12 ILE A 39 15.970 -6.429 11.197 1.00 21.42 H new ATOM 0 HG13 ILE A 39 16.781 -7.687 12.108 1.00 21.42 H new ATOM 0 HG21 ILE A 39 18.020 -6.769 14.334 1.00 25.40 H new ATOM 0 HG22 ILE A 39 18.566 -5.076 14.291 1.00 25.40 H new ATOM 0 HG23 ILE A 39 16.854 -5.451 14.601 1.00 25.40 H new ATOM 0 HD11 ILE A 39 14.461 -7.431 12.843 1.00 62.32 H new ATOM 0 HD12 ILE A 39 15.583 -6.997 14.154 1.00 62.32 H new ATOM 0 HD13 ILE A 39 14.759 -5.719 13.229 1.00 62.32 H new ATOM 310 N ASP A 40 19.262 -4.051 11.112 1.00 35.34 N ATOM 311 CA ASP A 40 20.214 -3.685 10.071 1.00 73.42 C ATOM 312 C ASP A 40 19.728 -4.152 8.702 1.00 21.35 C ATOM 313 O ASP A 40 19.909 -5.312 8.329 1.00 34.24 O ATOM 314 CB ASP A 40 21.588 -4.289 10.371 1.00 12.45 C ATOM 315 CG ASP A 40 22.032 -4.035 11.798 1.00 43.41 C ATOM 316 OD1 ASP A 40 22.420 -2.887 12.103 1.00 22.24 O ATOM 317 OD2 ASP A 40 21.990 -4.983 12.610 1.00 44.40 O ATOM 0 H ASP A 40 19.684 -4.476 11.938 1.00 35.34 H new ATOM 0 HA ASP A 40 20.299 -2.598 10.056 1.00 73.42 H new ATOM 0 HB2 ASP A 40 21.557 -5.363 10.189 1.00 12.45 H new ATOM 0 HB3 ASP A 40 22.324 -3.870 9.684 1.00 12.45 H new ATOM 322 N VAL A 41 19.110 -3.241 7.957 1.00 34.33 N ATOM 323 CA VAL A 41 18.598 -3.559 6.629 1.00 13.25 C ATOM 324 C VAL A 41 19.722 -3.994 5.696 1.00 4.11 C ATOM 325 O VAL A 41 19.572 -4.942 4.925 1.00 64.21 O ATOM 326 CB VAL A 41 17.866 -2.355 6.008 1.00 40.33 C ATOM 327 CG1 VAL A 41 17.403 -2.682 4.596 1.00 21.12 C ATOM 328 CG2 VAL A 41 16.692 -1.937 6.880 1.00 54.43 C ATOM 0 H VAL A 41 18.952 -2.277 8.250 1.00 34.33 H new ATOM 0 HA VAL A 41 17.893 -4.381 6.750 1.00 13.25 H new ATOM 0 HB VAL A 41 18.562 -1.518 5.952 1.00 40.33 H new ATOM 0 HG11 VAL A 41 16.888 -1.820 4.173 1.00 21.12 H new ATOM 0 HG12 VAL A 41 18.266 -2.928 3.978 1.00 21.12 H new ATOM 0 HG13 VAL A 41 16.723 -3.533 4.624 1.00 21.12 H new ATOM 0 HG21 VAL A 41 16.187 -1.085 6.426 1.00 54.43 H new ATOM 0 HG22 VAL A 41 15.992 -2.768 6.971 1.00 54.43 H new ATOM 0 HG23 VAL A 41 17.055 -1.658 7.869 1.00 54.43 H new ATOM 338 N THR A 42 20.851 -3.295 5.771 1.00 33.52 N ATOM 339 CA THR A 42 22.001 -3.608 4.933 1.00 34.32 C ATOM 340 C THR A 42 22.578 -4.976 5.281 1.00 51.24 C ATOM 341 O THR A 42 23.335 -5.556 4.502 1.00 32.51 O ATOM 342 CB THR A 42 23.107 -2.546 5.078 1.00 62.41 C ATOM 343 OG1 THR A 42 23.624 -2.554 6.414 1.00 72.44 O ATOM 344 CG2 THR A 42 22.573 -1.161 4.745 1.00 43.25 C ATOM 0 H THR A 42 20.993 -2.508 6.404 1.00 33.52 H new ATOM 0 HA THR A 42 21.648 -3.616 3.902 1.00 34.32 H new ATOM 0 HB THR A 42 23.907 -2.789 4.378 1.00 62.41 H new ATOM 0 HG1 THR A 42 24.328 -1.877 6.496 1.00 72.44 H new ATOM 0 HG21 THR A 42 23.372 -0.427 4.854 1.00 43.25 H new ATOM 0 HG22 THR A 42 22.207 -1.149 3.718 1.00 43.25 H new ATOM 0 HG23 THR A 42 21.757 -0.913 5.424 1.00 43.25 H new ATOM 352 N ARG A 43 22.214 -5.487 6.452 1.00 3.51 N ATOM 353 CA ARG A 43 22.696 -6.787 6.902 1.00 40.51 C ATOM 354 C ARG A 43 21.531 -7.713 7.236 1.00 31.44 C ATOM 355 O ARG A 43 21.503 -8.332 8.300 1.00 73.34 O ATOM 356 CB ARG A 43 23.600 -6.624 8.126 1.00 65.24 C ATOM 357 CG ARG A 43 24.852 -5.806 7.853 1.00 31.32 C ATOM 358 CD ARG A 43 25.922 -6.060 8.903 1.00 22.54 C ATOM 359 NE ARG A 43 26.663 -4.847 9.235 1.00 10.31 N ATOM 360 CZ ARG A 43 26.185 -3.885 10.018 1.00 72.13 C ATOM 361 NH1 ARG A 43 24.974 -3.996 10.547 1.00 61.43 N ATOM 362 NH2 ARG A 43 26.920 -2.810 10.273 1.00 12.13 N ATOM 0 H ARG A 43 21.586 -5.020 7.107 1.00 3.51 H new ATOM 0 HA ARG A 43 23.271 -7.234 6.091 1.00 40.51 H new ATOM 0 HB2 ARG A 43 23.032 -6.148 8.926 1.00 65.24 H new ATOM 0 HB3 ARG A 43 23.892 -7.611 8.486 1.00 65.24 H new ATOM 0 HG2 ARG A 43 25.243 -6.055 6.866 1.00 31.32 H new ATOM 0 HG3 ARG A 43 24.599 -4.746 7.838 1.00 31.32 H new ATOM 0 HD2 ARG A 43 25.457 -6.459 9.805 1.00 22.54 H new ATOM 0 HD3 ARG A 43 26.614 -6.819 8.539 1.00 22.54 H new ATOM 0 HE ARG A 43 27.598 -4.731 8.845 1.00 10.31 H new ATOM 0 HH11 ARG A 43 24.407 -4.821 10.353 1.00 61.43 H new ATOM 0 HH12 ARG A 43 24.610 -3.256 11.147 1.00 61.43 H new ATOM 0 HH21 ARG A 43 27.852 -2.722 9.868 1.00 12.13 H new ATOM 0 HH22 ARG A 43 26.553 -2.072 10.874 1.00 12.13 H new ATOM 376 N ARG A 44 20.571 -7.801 6.322 1.00 32.22 N ATOM 377 CA ARG A 44 19.402 -8.650 6.520 1.00 21.35 C ATOM 378 C ARG A 44 19.818 -10.067 6.905 1.00 32.43 C ATOM 379 O ARG A 44 19.186 -10.702 7.748 1.00 74.32 O ATOM 380 CB ARG A 44 18.549 -8.685 5.252 1.00 53.35 C ATOM 381 CG ARG A 44 17.314 -9.563 5.372 1.00 55.53 C ATOM 382 CD ARG A 44 16.043 -8.730 5.453 1.00 23.01 C ATOM 383 NE ARG A 44 15.174 -8.943 4.300 1.00 60.25 N ATOM 384 CZ ARG A 44 14.314 -9.952 4.205 1.00 10.52 C ATOM 385 NH1 ARG A 44 14.208 -10.832 5.190 1.00 10.31 N ATOM 386 NH2 ARG A 44 13.556 -10.079 3.123 1.00 20.34 N ATOM 0 H ARG A 44 20.579 -7.295 5.437 1.00 32.22 H new ATOM 0 HA ARG A 44 18.813 -8.228 7.334 1.00 21.35 H new ATOM 0 HB2 ARG A 44 18.240 -7.670 5.004 1.00 53.35 H new ATOM 0 HB3 ARG A 44 19.160 -9.043 4.423 1.00 53.35 H new ATOM 0 HG2 ARG A 44 17.257 -10.232 4.514 1.00 55.53 H new ATOM 0 HG3 ARG A 44 17.397 -10.190 6.260 1.00 55.53 H new ATOM 0 HD2 ARG A 44 15.502 -8.982 6.365 1.00 23.01 H new ATOM 0 HD3 ARG A 44 16.305 -7.674 5.519 1.00 23.01 H new ATOM 0 HE ARG A 44 15.230 -8.282 3.525 1.00 60.25 H new ATOM 0 HH11 ARG A 44 14.787 -10.736 6.024 1.00 10.31 H new ATOM 0 HH12 ARG A 44 13.547 -11.605 5.114 1.00 10.31 H new ATOM 0 HH21 ARG A 44 13.633 -9.402 2.364 1.00 20.34 H new ATOM 0 HH22 ARG A 44 12.896 -10.853 3.051 1.00 20.34 H new ATOM 400 N GLU A 45 20.885 -10.555 6.280 1.00 21.15 N ATOM 401 CA GLU A 45 21.385 -11.897 6.557 1.00 74.20 C ATOM 402 C GLU A 45 21.703 -12.065 8.039 1.00 5.34 C ATOM 403 O GLU A 45 21.600 -13.161 8.588 1.00 74.32 O ATOM 404 CB GLU A 45 22.633 -12.184 5.720 1.00 55.24 C ATOM 405 CG GLU A 45 23.862 -11.420 6.179 1.00 62.31 C ATOM 406 CD GLU A 45 23.751 -9.929 5.926 1.00 22.23 C ATOM 407 OE1 GLU A 45 23.052 -9.541 4.966 1.00 23.44 O ATOM 408 OE2 GLU A 45 24.364 -9.150 6.688 1.00 73.34 O ATOM 0 H GLU A 45 21.420 -10.042 5.579 1.00 21.15 H new ATOM 0 HA GLU A 45 20.605 -12.609 6.288 1.00 74.20 H new ATOM 0 HB2 GLU A 45 22.846 -13.252 5.755 1.00 55.24 H new ATOM 0 HB3 GLU A 45 22.428 -11.934 4.679 1.00 55.24 H new ATOM 0 HG2 GLU A 45 24.016 -11.593 7.244 1.00 62.31 H new ATOM 0 HG3 GLU A 45 24.740 -11.808 5.663 1.00 62.31 H new ATOM 415 N ALA A 46 22.094 -10.968 8.682 1.00 51.14 N ATOM 416 CA ALA A 46 22.427 -10.992 10.101 1.00 43.05 C ATOM 417 C ALA A 46 21.184 -11.222 10.953 1.00 0.12 C ATOM 418 O ALA A 46 21.282 -11.504 12.147 1.00 34.12 O ATOM 419 CB ALA A 46 23.113 -9.695 10.503 1.00 35.11 C ATOM 0 H ALA A 46 22.188 -10.052 8.242 1.00 51.14 H new ATOM 0 HA ALA A 46 23.112 -11.822 10.275 1.00 43.05 H new ATOM 0 HB1 ALA A 46 23.356 -9.726 11.565 1.00 35.11 H new ATOM 0 HB2 ALA A 46 24.029 -9.573 9.924 1.00 35.11 H new ATOM 0 HB3 ALA A 46 22.446 -8.855 10.308 1.00 35.11 H new ATOM 425 N TYR A 47 20.016 -11.100 10.332 1.00 72.45 N ATOM 426 CA TYR A 47 18.753 -11.292 11.035 1.00 43.45 C ATOM 427 C TYR A 47 18.626 -12.724 11.545 1.00 73.43 C ATOM 428 O TYR A 47 17.755 -13.031 12.360 1.00 34.04 O ATOM 429 CB TYR A 47 17.577 -10.960 10.114 1.00 21.11 C ATOM 430 CG TYR A 47 17.520 -9.505 9.706 1.00 75.45 C ATOM 431 CD1 TYR A 47 16.574 -9.058 8.791 1.00 21.41 C ATOM 432 CD2 TYR A 47 18.410 -8.580 10.234 1.00 42.30 C ATOM 433 CE1 TYR A 47 16.518 -7.730 8.414 1.00 10.21 C ATOM 434 CE2 TYR A 47 18.360 -7.249 9.863 1.00 24.33 C ATOM 435 CZ TYR A 47 17.413 -6.830 8.953 1.00 1.34 C ATOM 436 OH TYR A 47 17.362 -5.506 8.582 1.00 74.13 O ATOM 0 H TYR A 47 19.918 -10.869 9.343 1.00 72.45 H new ATOM 0 HA TYR A 47 18.737 -10.618 11.891 1.00 43.45 H new ATOM 0 HB2 TYR A 47 17.642 -11.578 9.218 1.00 21.11 H new ATOM 0 HB3 TYR A 47 16.647 -11.225 10.617 1.00 21.11 H new ATOM 0 HD1 TYR A 47 15.871 -9.760 8.368 1.00 21.41 H new ATOM 0 HD2 TYR A 47 19.154 -8.905 10.946 1.00 42.30 H new ATOM 0 HE1 TYR A 47 15.777 -7.399 7.701 1.00 10.21 H new ATOM 0 HE2 TYR A 47 19.059 -6.541 10.284 1.00 24.33 H new ATOM 0 HH TYR A 47 16.484 -5.135 8.812 1.00 74.13 H new ATOM 446 N LEU A 48 19.501 -13.598 11.061 1.00 44.32 N ATOM 447 CA LEU A 48 19.489 -14.999 11.467 1.00 53.13 C ATOM 448 C LEU A 48 20.273 -15.197 12.761 1.00 60.12 C ATOM 449 O LEU A 48 21.108 -14.369 13.126 1.00 34.21 O ATOM 450 CB LEU A 48 20.077 -15.876 10.361 1.00 45.02 C ATOM 451 CG LEU A 48 19.100 -16.826 9.666 1.00 2.52 C ATOM 452 CD1 LEU A 48 19.757 -17.478 8.459 1.00 30.22 C ATOM 453 CD2 LEU A 48 18.601 -17.883 10.640 1.00 0.52 C ATOM 0 H LEU A 48 20.228 -13.361 10.386 1.00 44.32 H new ATOM 0 HA LEU A 48 18.454 -15.293 11.642 1.00 53.13 H new ATOM 0 HB2 LEU A 48 20.519 -15.226 9.606 1.00 45.02 H new ATOM 0 HB3 LEU A 48 20.887 -16.468 10.787 1.00 45.02 H new ATOM 0 HG LEU A 48 18.244 -16.247 9.319 1.00 2.52 H new ATOM 0 HD11 LEU A 48 19.047 -18.150 7.977 1.00 30.22 H new ATOM 0 HD12 LEU A 48 20.065 -16.708 7.752 1.00 30.22 H new ATOM 0 HD13 LEU A 48 20.631 -18.044 8.782 1.00 30.22 H new ATOM 0 HD21 LEU A 48 17.907 -18.550 10.129 1.00 0.52 H new ATOM 0 HD22 LEU A 48 19.446 -18.458 11.017 1.00 0.52 H new ATOM 0 HD23 LEU A 48 18.091 -17.399 11.473 1.00 0.52 H new ATOM 465 N SER A 49 20.001 -16.302 13.448 1.00 61.31 N ATOM 466 CA SER A 49 20.680 -16.609 14.701 1.00 20.10 C ATOM 467 C SER A 49 22.166 -16.865 14.466 1.00 31.21 C ATOM 468 O SER A 49 22.565 -17.334 13.400 1.00 42.31 O ATOM 469 CB SER A 49 20.040 -17.829 15.367 1.00 30.40 C ATOM 470 OG SER A 49 18.804 -18.154 14.755 1.00 12.23 O ATOM 0 H SER A 49 19.315 -16.999 13.158 1.00 61.31 H new ATOM 0 HA SER A 49 20.578 -15.748 15.361 1.00 20.10 H new ATOM 0 HB2 SER A 49 20.717 -18.681 15.301 1.00 30.40 H new ATOM 0 HB3 SER A 49 19.883 -17.628 16.427 1.00 30.40 H new ATOM 0 HG SER A 49 18.416 -18.938 15.197 1.00 12.23 H new ATOM 476 N SER A 50 22.979 -16.554 15.470 1.00 42.22 N ATOM 477 CA SER A 50 24.421 -16.746 15.372 1.00 3.24 C ATOM 478 C SER A 50 24.751 -18.165 14.919 1.00 63.23 C ATOM 479 O SER A 50 25.779 -18.402 14.285 1.00 52.32 O ATOM 480 CB SER A 50 25.088 -16.461 16.720 1.00 11.21 C ATOM 481 OG SER A 50 25.071 -17.609 17.550 1.00 61.35 O ATOM 0 H SER A 50 22.664 -16.168 16.360 1.00 42.22 H new ATOM 0 HA SER A 50 24.806 -16.047 14.629 1.00 3.24 H new ATOM 0 HB2 SER A 50 26.117 -16.140 16.559 1.00 11.21 H new ATOM 0 HB3 SER A 50 24.572 -15.640 17.218 1.00 11.21 H new ATOM 0 HG SER A 50 25.504 -17.402 18.404 1.00 61.35 H new ATOM 487 N GLU A 51 23.871 -19.105 15.251 1.00 65.24 N ATOM 488 CA GLU A 51 24.069 -20.501 14.879 1.00 44.23 C ATOM 489 C GLU A 51 23.736 -20.724 13.406 1.00 52.32 C ATOM 490 O GLU A 51 24.580 -21.168 12.629 1.00 4.50 O ATOM 491 CB GLU A 51 23.205 -21.412 15.752 1.00 3.15 C ATOM 492 CG GLU A 51 23.355 -21.149 17.241 1.00 5.43 C ATOM 493 CD GLU A 51 22.525 -22.095 18.087 1.00 11.22 C ATOM 494 OE1 GLU A 51 21.472 -21.661 18.602 1.00 61.24 O ATOM 495 OE2 GLU A 51 22.928 -23.267 18.236 1.00 3.03 O ATOM 0 H GLU A 51 23.015 -18.925 15.776 1.00 65.24 H new ATOM 0 HA GLU A 51 25.119 -20.747 15.038 1.00 44.23 H new ATOM 0 HB2 GLU A 51 22.159 -21.284 15.473 1.00 3.15 H new ATOM 0 HB3 GLU A 51 23.465 -22.451 15.547 1.00 3.15 H new ATOM 0 HG2 GLU A 51 24.405 -21.245 17.519 1.00 5.43 H new ATOM 0 HG3 GLU A 51 23.061 -20.122 17.456 1.00 5.43 H new ATOM 502 N GLU A 52 22.498 -20.413 13.032 1.00 61.23 N ATOM 503 CA GLU A 52 22.053 -20.581 11.654 1.00 61.12 C ATOM 504 C GLU A 52 22.876 -19.714 10.706 1.00 15.34 C ATOM 505 O GLU A 52 23.432 -20.203 9.723 1.00 44.41 O ATOM 506 CB GLU A 52 20.570 -20.229 11.527 1.00 71.41 C ATOM 507 CG GLU A 52 19.646 -21.428 11.663 1.00 55.21 C ATOM 508 CD GLU A 52 19.030 -21.842 10.341 1.00 60.22 C ATOM 509 OE1 GLU A 52 19.715 -21.720 9.304 1.00 62.54 O ATOM 510 OE2 GLU A 52 17.863 -22.289 10.343 1.00 64.35 O ATOM 0 H GLU A 52 21.787 -20.044 13.663 1.00 61.23 H new ATOM 0 HA GLU A 52 22.196 -21.626 11.379 1.00 61.12 H new ATOM 0 HB2 GLU A 52 20.313 -19.494 12.290 1.00 71.41 H new ATOM 0 HB3 GLU A 52 20.399 -19.757 10.560 1.00 71.41 H new ATOM 0 HG2 GLU A 52 20.204 -22.267 12.078 1.00 55.21 H new ATOM 0 HG3 GLU A 52 18.852 -21.192 12.371 1.00 55.21 H new ATOM 517 N PHE A 53 22.948 -18.422 11.009 1.00 2.50 N ATOM 518 CA PHE A 53 23.701 -17.483 10.185 1.00 61.41 C ATOM 519 C PHE A 53 25.107 -18.009 9.911 1.00 4.30 C ATOM 520 O PHE A 53 25.521 -18.138 8.759 1.00 44.32 O ATOM 521 CB PHE A 53 23.779 -16.118 10.869 1.00 10.44 C ATOM 522 CG PHE A 53 24.861 -15.233 10.321 1.00 11.55 C ATOM 523 CD1 PHE A 53 26.152 -15.304 10.820 1.00 61.42 C ATOM 524 CD2 PHE A 53 24.587 -14.329 9.308 1.00 42.35 C ATOM 525 CE1 PHE A 53 27.151 -14.491 10.317 1.00 54.34 C ATOM 526 CE2 PHE A 53 25.581 -13.513 8.800 1.00 22.11 C ATOM 527 CZ PHE A 53 26.865 -13.594 9.306 1.00 11.05 C ATOM 0 H PHE A 53 22.494 -18.001 11.820 1.00 2.50 H new ATOM 0 HA PHE A 53 23.180 -17.374 9.234 1.00 61.41 H new ATOM 0 HB2 PHE A 53 22.819 -15.612 10.763 1.00 10.44 H new ATOM 0 HB3 PHE A 53 23.946 -16.264 11.936 1.00 10.44 H new ATOM 0 HD1 PHE A 53 26.381 -16.003 11.611 1.00 61.42 H new ATOM 0 HD2 PHE A 53 23.585 -14.261 8.910 1.00 42.35 H new ATOM 0 HE1 PHE A 53 28.153 -14.557 10.714 1.00 54.34 H new ATOM 0 HE2 PHE A 53 25.355 -12.813 8.009 1.00 22.11 H new ATOM 0 HZ PHE A 53 27.643 -12.957 8.912 1.00 11.05 H new ATOM 537 N LYS A 54 25.839 -18.308 10.979 1.00 3.31 N ATOM 538 CA LYS A 54 27.200 -18.819 10.857 1.00 55.24 C ATOM 539 C LYS A 54 27.204 -20.211 10.231 1.00 13.21 C ATOM 540 O LYS A 54 28.201 -20.636 9.650 1.00 0.30 O ATOM 541 CB LYS A 54 27.875 -18.863 12.229 1.00 70.44 C ATOM 542 CG LYS A 54 27.664 -20.172 12.969 1.00 64.41 C ATOM 543 CD LYS A 54 28.796 -21.151 12.704 1.00 72.04 C ATOM 544 CE LYS A 54 29.282 -21.803 13.989 1.00 30.33 C ATOM 545 NZ LYS A 54 28.453 -22.983 14.361 1.00 43.25 N ATOM 0 H LYS A 54 25.512 -18.205 11.940 1.00 3.31 H new ATOM 0 HA LYS A 54 27.758 -18.145 10.206 1.00 55.24 H new ATOM 0 HB2 LYS A 54 28.945 -18.694 12.104 1.00 70.44 H new ATOM 0 HB3 LYS A 54 27.493 -18.045 12.839 1.00 70.44 H new ATOM 0 HG2 LYS A 54 27.592 -19.979 14.039 1.00 64.41 H new ATOM 0 HG3 LYS A 54 26.718 -20.617 12.661 1.00 64.41 H new ATOM 0 HD2 LYS A 54 28.458 -21.920 12.010 1.00 72.04 H new ATOM 0 HD3 LYS A 54 29.624 -20.630 12.224 1.00 72.04 H new ATOM 0 HE2 LYS A 54 30.320 -22.112 13.869 1.00 30.33 H new ATOM 0 HE3 LYS A 54 29.258 -21.073 14.798 1.00 30.33 H new ATOM 0 HZ1 LYS A 54 28.817 -23.399 15.242 1.00 43.25 H new ATOM 0 HZ2 LYS A 54 27.467 -22.684 14.501 1.00 43.25 H new ATOM 0 HZ3 LYS A 54 28.496 -23.691 13.600 1.00 43.25 H new ATOM 559 N GLU A 55 26.082 -20.913 10.354 1.00 14.12 N ATOM 560 CA GLU A 55 25.957 -22.255 9.799 1.00 21.50 C ATOM 561 C GLU A 55 25.763 -22.204 8.287 1.00 33.21 C ATOM 562 O GLU A 55 26.091 -23.153 7.574 1.00 73.22 O ATOM 563 CB GLU A 55 24.786 -22.994 10.450 1.00 0.13 C ATOM 564 CG GLU A 55 25.182 -23.802 11.676 1.00 54.42 C ATOM 565 CD GLU A 55 25.165 -25.296 11.418 1.00 21.22 C ATOM 566 OE1 GLU A 55 24.190 -25.958 11.833 1.00 1.22 O ATOM 567 OE2 GLU A 55 26.126 -25.804 10.804 1.00 52.02 O ATOM 0 H GLU A 55 25.247 -20.575 10.833 1.00 14.12 H new ATOM 0 HA GLU A 55 26.880 -22.794 10.011 1.00 21.50 H new ATOM 0 HB2 GLU A 55 24.023 -22.269 10.734 1.00 0.13 H new ATOM 0 HB3 GLU A 55 24.335 -23.661 9.716 1.00 0.13 H new ATOM 0 HG2 GLU A 55 26.180 -23.503 11.997 1.00 54.42 H new ATOM 0 HG3 GLU A 55 24.501 -23.570 12.495 1.00 54.42 H new ATOM 574 N LYS A 56 25.225 -21.089 7.803 1.00 24.42 N ATOM 575 CA LYS A 56 24.986 -20.911 6.376 1.00 65.53 C ATOM 576 C LYS A 56 26.169 -20.217 5.708 1.00 2.34 C ATOM 577 O LYS A 56 26.470 -20.466 4.542 1.00 42.25 O ATOM 578 CB LYS A 56 23.710 -20.098 6.149 1.00 21.24 C ATOM 579 CG LYS A 56 22.497 -20.950 5.819 1.00 72.43 C ATOM 580 CD LYS A 56 22.249 -22.005 6.884 1.00 31.35 C ATOM 581 CE LYS A 56 22.687 -23.384 6.417 1.00 71.20 C ATOM 582 NZ LYS A 56 21.802 -24.458 6.950 1.00 45.21 N ATOM 0 H LYS A 56 24.946 -20.295 8.379 1.00 24.42 H new ATOM 0 HA LYS A 56 24.866 -21.897 5.928 1.00 65.53 H new ATOM 0 HB2 LYS A 56 23.499 -19.511 7.043 1.00 21.24 H new ATOM 0 HB3 LYS A 56 23.879 -19.391 5.337 1.00 21.24 H new ATOM 0 HG2 LYS A 56 21.618 -20.312 5.726 1.00 72.43 H new ATOM 0 HG3 LYS A 56 22.643 -21.434 4.853 1.00 72.43 H new ATOM 0 HD2 LYS A 56 22.789 -21.739 7.793 1.00 31.35 H new ATOM 0 HD3 LYS A 56 21.189 -22.025 7.137 1.00 31.35 H new ATOM 0 HE2 LYS A 56 22.682 -23.417 5.328 1.00 71.20 H new ATOM 0 HE3 LYS A 56 23.713 -23.567 6.737 1.00 71.20 H new ATOM 0 HZ1 LYS A 56 22.134 -25.383 6.609 1.00 45.21 H new ATOM 0 HZ2 LYS A 56 21.826 -24.444 7.990 1.00 45.21 H new ATOM 0 HZ3 LYS A 56 20.827 -24.298 6.624 1.00 45.21 H new ATOM 596 N PHE A 57 26.836 -19.345 6.458 1.00 65.33 N ATOM 597 CA PHE A 57 27.988 -18.615 5.938 1.00 34.11 C ATOM 598 C PHE A 57 29.293 -19.263 6.391 1.00 0.43 C ATOM 599 O PHE A 57 30.346 -19.048 5.792 1.00 33.31 O ATOM 600 CB PHE A 57 27.943 -17.156 6.399 1.00 32.23 C ATOM 601 CG PHE A 57 26.770 -16.391 5.855 1.00 71.42 C ATOM 602 CD1 PHE A 57 26.672 -16.119 4.500 1.00 30.04 C ATOM 603 CD2 PHE A 57 25.766 -15.944 6.700 1.00 63.35 C ATOM 604 CE1 PHE A 57 25.594 -15.416 3.997 1.00 35.22 C ATOM 605 CE2 PHE A 57 24.685 -15.241 6.201 1.00 21.42 C ATOM 606 CZ PHE A 57 24.600 -14.976 4.848 1.00 34.24 C ATOM 0 H PHE A 57 26.599 -19.127 7.426 1.00 65.33 H new ATOM 0 HA PHE A 57 27.946 -18.647 4.849 1.00 34.11 H new ATOM 0 HB2 PHE A 57 27.911 -17.128 7.488 1.00 32.23 H new ATOM 0 HB3 PHE A 57 28.864 -16.659 6.094 1.00 32.23 H new ATOM 0 HD1 PHE A 57 27.447 -16.460 3.829 1.00 30.04 H new ATOM 0 HD2 PHE A 57 25.829 -16.147 7.759 1.00 63.35 H new ATOM 0 HE1 PHE A 57 25.529 -15.211 2.939 1.00 35.22 H new ATOM 0 HE2 PHE A 57 23.908 -14.899 6.869 1.00 21.42 H new ATOM 0 HZ PHE A 57 23.757 -14.426 4.457 1.00 34.24 H new ATOM 616 N GLY A 58 29.214 -20.057 7.454 1.00 42.10 N ATOM 617 CA GLY A 58 30.395 -20.724 7.970 1.00 25.11 C ATOM 618 C GLY A 58 31.189 -19.846 8.918 1.00 63.35 C ATOM 619 O GLY A 58 32.128 -20.311 9.564 1.00 20.24 O ATOM 0 H GLY A 58 28.354 -20.250 7.967 1.00 42.10 H new ATOM 0 HA2 GLY A 58 30.097 -21.636 8.488 1.00 25.11 H new ATOM 0 HA3 GLY A 58 31.032 -21.024 7.138 1.00 25.11 H new ATOM 623 N MET A 59 30.814 -18.575 8.999 1.00 14.02 N ATOM 624 CA MET A 59 31.499 -17.630 9.874 1.00 71.34 C ATOM 625 C MET A 59 30.534 -17.042 10.899 1.00 2.51 C ATOM 626 O MET A 59 29.381 -16.746 10.584 1.00 23.41 O ATOM 627 CB MET A 59 32.135 -16.509 9.050 1.00 14.52 C ATOM 628 CG MET A 59 32.770 -16.990 7.757 1.00 43.21 C ATOM 629 SD MET A 59 34.081 -18.197 8.033 1.00 32.10 S ATOM 630 CE MET A 59 35.235 -17.746 6.741 1.00 42.23 C ATOM 0 H MET A 59 30.040 -18.175 8.470 1.00 14.02 H new ATOM 0 HA MET A 59 32.283 -18.167 10.407 1.00 71.34 H new ATOM 0 HB2 MET A 59 31.374 -15.765 8.816 1.00 14.52 H new ATOM 0 HB3 MET A 59 32.893 -16.011 9.654 1.00 14.52 H new ATOM 0 HG2 MET A 59 32.002 -17.432 7.122 1.00 43.21 H new ATOM 0 HG3 MET A 59 33.177 -16.135 7.217 1.00 43.21 H new ATOM 0 HE1 MET A 59 36.102 -18.405 6.782 1.00 42.23 H new ATOM 0 HE2 MET A 59 34.750 -17.844 5.770 1.00 42.23 H new ATOM 0 HE3 MET A 59 35.556 -16.714 6.884 1.00 42.23 H new ATOM 640 N THR A 60 31.014 -16.872 12.127 1.00 34.43 N ATOM 641 CA THR A 60 30.194 -16.320 13.198 1.00 64.31 C ATOM 642 C THR A 60 29.693 -14.926 12.844 1.00 52.15 C ATOM 643 O THR A 60 30.132 -14.327 11.861 1.00 73.42 O ATOM 644 CB THR A 60 30.975 -16.251 14.525 1.00 72.55 C ATOM 645 OG1 THR A 60 32.243 -16.900 14.380 1.00 22.15 O ATOM 646 CG2 THR A 60 30.189 -16.907 15.650 1.00 50.03 C ATOM 0 H THR A 60 31.967 -17.109 12.404 1.00 34.43 H new ATOM 0 HA THR A 60 29.342 -16.989 13.320 1.00 64.31 H new ATOM 0 HB THR A 60 31.131 -15.202 14.776 1.00 72.55 H new ATOM 0 HG1 THR A 60 32.734 -16.851 15.226 1.00 22.15 H new ATOM 0 HG21 THR A 60 30.760 -16.846 16.576 1.00 50.03 H new ATOM 0 HG22 THR A 60 29.236 -16.393 15.776 1.00 50.03 H new ATOM 0 HG23 THR A 60 30.006 -17.953 15.404 1.00 50.03 H new ATOM 654 N LYS A 61 28.770 -14.411 13.650 1.00 64.10 N ATOM 655 CA LYS A 61 28.210 -13.084 13.423 1.00 31.12 C ATOM 656 C LYS A 61 29.314 -12.039 13.308 1.00 41.54 C ATOM 657 O LYS A 61 29.375 -11.293 12.330 1.00 63.31 O ATOM 658 CB LYS A 61 27.256 -12.710 14.560 1.00 50.43 C ATOM 659 CG LYS A 61 26.244 -13.794 14.887 1.00 25.42 C ATOM 660 CD LYS A 61 24.980 -13.212 15.497 1.00 41.43 C ATOM 661 CE LYS A 61 23.934 -12.915 14.433 1.00 61.00 C ATOM 662 NZ LYS A 61 22.709 -12.301 15.016 1.00 63.23 N ATOM 0 H LYS A 61 28.394 -14.893 14.467 1.00 64.10 H new ATOM 0 HA LYS A 61 27.657 -13.107 12.484 1.00 31.12 H new ATOM 0 HB2 LYS A 61 27.839 -12.488 15.454 1.00 50.43 H new ATOM 0 HB3 LYS A 61 26.724 -11.797 14.291 1.00 50.43 H new ATOM 0 HG2 LYS A 61 25.992 -14.343 13.980 1.00 25.42 H new ATOM 0 HG3 LYS A 61 26.687 -14.510 15.580 1.00 25.42 H new ATOM 0 HD2 LYS A 61 24.571 -13.912 16.226 1.00 41.43 H new ATOM 0 HD3 LYS A 61 25.223 -12.296 16.036 1.00 41.43 H new ATOM 0 HE2 LYS A 61 24.357 -12.243 13.686 1.00 61.00 H new ATOM 0 HE3 LYS A 61 23.668 -13.838 13.918 1.00 61.00 H new ATOM 0 HZ1 LYS A 61 22.086 -11.975 14.250 1.00 63.23 H new ATOM 0 HZ2 LYS A 61 22.208 -13.006 15.593 1.00 63.23 H new ATOM 0 HZ3 LYS A 61 22.976 -11.492 15.613 1.00 63.23 H new ATOM 676 N GLU A 62 30.186 -11.991 14.310 1.00 65.55 N ATOM 677 CA GLU A 62 31.289 -11.038 14.318 1.00 22.23 C ATOM 678 C GLU A 62 32.399 -11.481 13.369 1.00 24.12 C ATOM 679 O GLU A 62 32.938 -10.677 12.611 1.00 43.55 O ATOM 680 CB GLU A 62 31.846 -10.881 15.735 1.00 43.14 C ATOM 681 CG GLU A 62 30.886 -10.200 16.695 1.00 35.01 C ATOM 682 CD GLU A 62 31.559 -9.131 17.533 1.00 35.34 C ATOM 683 OE1 GLU A 62 32.284 -8.295 16.956 1.00 2.24 O ATOM 684 OE2 GLU A 62 31.360 -9.132 18.766 1.00 1.43 O ATOM 0 H GLU A 62 30.150 -12.601 15.127 1.00 65.55 H new ATOM 0 HA GLU A 62 30.907 -10.076 13.977 1.00 22.23 H new ATOM 0 HB2 GLU A 62 32.101 -11.866 16.127 1.00 43.14 H new ATOM 0 HB3 GLU A 62 32.771 -10.306 15.691 1.00 43.14 H new ATOM 0 HG2 GLU A 62 30.069 -9.752 16.129 1.00 35.01 H new ATOM 0 HG3 GLU A 62 30.445 -10.948 17.353 1.00 35.01 H new ATOM 691 N ALA A 63 32.735 -12.766 13.420 1.00 13.12 N ATOM 692 CA ALA A 63 33.779 -13.316 12.565 1.00 74.52 C ATOM 693 C ALA A 63 33.507 -13.004 11.096 1.00 3.02 C ATOM 694 O ALA A 63 34.423 -12.676 10.343 1.00 45.52 O ATOM 695 CB ALA A 63 33.894 -14.819 12.773 1.00 3.14 C ATOM 0 H ALA A 63 32.299 -13.445 14.044 1.00 13.12 H new ATOM 0 HA ALA A 63 34.724 -12.848 12.841 1.00 74.52 H new ATOM 0 HB1 ALA A 63 34.678 -15.217 12.128 1.00 3.14 H new ATOM 0 HB2 ALA A 63 34.142 -15.024 13.814 1.00 3.14 H new ATOM 0 HB3 ALA A 63 32.945 -15.294 12.526 1.00 3.14 H new ATOM 701 N PHE A 64 32.245 -13.110 10.698 1.00 51.20 N ATOM 702 CA PHE A 64 31.854 -12.841 9.319 1.00 53.21 C ATOM 703 C PHE A 64 32.115 -11.382 8.954 1.00 64.51 C ATOM 704 O PHE A 64 32.658 -11.085 7.890 1.00 13.51 O ATOM 705 CB PHE A 64 30.374 -13.172 9.112 1.00 4.32 C ATOM 706 CG PHE A 64 29.912 -12.992 7.695 1.00 74.25 C ATOM 707 CD1 PHE A 64 29.976 -14.042 6.792 1.00 41.42 C ATOM 708 CD2 PHE A 64 29.413 -11.773 7.264 1.00 60.15 C ATOM 709 CE1 PHE A 64 29.551 -13.879 5.487 1.00 43.23 C ATOM 710 CE2 PHE A 64 28.987 -11.605 5.960 1.00 12.10 C ATOM 711 CZ PHE A 64 29.057 -12.659 5.070 1.00 44.21 C ATOM 0 H PHE A 64 31.475 -13.380 11.310 1.00 51.20 H new ATOM 0 HA PHE A 64 32.456 -13.474 8.667 1.00 53.21 H new ATOM 0 HB2 PHE A 64 30.195 -14.203 9.416 1.00 4.32 H new ATOM 0 HB3 PHE A 64 29.774 -12.538 9.765 1.00 4.32 H new ATOM 0 HD1 PHE A 64 30.362 -14.998 7.112 1.00 41.42 H new ATOM 0 HD2 PHE A 64 29.356 -10.945 7.955 1.00 60.15 H new ATOM 0 HE1 PHE A 64 29.605 -14.705 4.794 1.00 43.23 H new ATOM 0 HE2 PHE A 64 28.600 -10.650 5.637 1.00 12.10 H new ATOM 0 HZ PHE A 64 28.726 -12.529 4.050 1.00 44.21 H new ATOM 721 N TYR A 65 31.725 -10.478 9.845 1.00 12.41 N ATOM 722 CA TYR A 65 31.914 -9.050 9.617 1.00 52.41 C ATOM 723 C TYR A 65 33.377 -8.734 9.320 1.00 14.11 C ATOM 724 O TYR A 65 33.691 -7.731 8.680 1.00 52.25 O ATOM 725 CB TYR A 65 31.446 -8.251 10.835 1.00 0.12 C ATOM 726 CG TYR A 65 29.981 -8.441 11.157 1.00 12.52 C ATOM 727 CD1 TYR A 65 29.041 -8.590 10.145 1.00 24.20 C ATOM 728 CD2 TYR A 65 29.537 -8.469 12.473 1.00 11.32 C ATOM 729 CE1 TYR A 65 27.701 -8.763 10.434 1.00 61.22 C ATOM 730 CE2 TYR A 65 28.199 -8.642 12.772 1.00 60.23 C ATOM 731 CZ TYR A 65 27.286 -8.788 11.749 1.00 34.44 C ATOM 732 OH TYR A 65 25.952 -8.960 12.043 1.00 61.34 O ATOM 0 H TYR A 65 31.276 -10.708 10.732 1.00 12.41 H new ATOM 0 HA TYR A 65 31.316 -8.765 8.751 1.00 52.41 H new ATOM 0 HB2 TYR A 65 32.041 -8.543 11.701 1.00 0.12 H new ATOM 0 HB3 TYR A 65 31.637 -7.192 10.660 1.00 0.12 H new ATOM 0 HD1 TYR A 65 29.363 -8.570 9.114 1.00 24.20 H new ATOM 0 HD2 TYR A 65 30.250 -8.354 13.276 1.00 11.32 H new ATOM 0 HE1 TYR A 65 26.983 -8.878 9.635 1.00 61.22 H new ATOM 0 HE2 TYR A 65 27.870 -8.663 13.801 1.00 60.23 H new ATOM 0 HH TYR A 65 25.828 -8.955 13.015 1.00 61.34 H new ATOM 742 N LYS A 66 34.269 -9.600 9.789 1.00 70.00 N ATOM 743 CA LYS A 66 35.700 -9.418 9.573 1.00 35.41 C ATOM 744 C LYS A 66 36.018 -9.326 8.084 1.00 75.11 C ATOM 745 O LYS A 66 37.038 -8.761 7.690 1.00 4.13 O ATOM 746 CB LYS A 66 36.482 -10.573 10.203 1.00 53.35 C ATOM 747 CG LYS A 66 36.165 -10.792 11.672 1.00 60.13 C ATOM 748 CD LYS A 66 36.543 -9.583 12.511 1.00 42.23 C ATOM 749 CE LYS A 66 38.042 -9.323 12.470 1.00 40.02 C ATOM 750 NZ LYS A 66 38.610 -9.138 13.834 1.00 61.13 N ATOM 0 H LYS A 66 34.026 -10.435 10.321 1.00 70.00 H new ATOM 0 HA LYS A 66 35.999 -8.484 10.048 1.00 35.41 H new ATOM 0 HB2 LYS A 66 36.267 -11.489 9.653 1.00 53.35 H new ATOM 0 HB3 LYS A 66 37.549 -10.380 10.095 1.00 53.35 H new ATOM 0 HG2 LYS A 66 35.101 -10.998 11.789 1.00 60.13 H new ATOM 0 HG3 LYS A 66 36.701 -11.669 12.034 1.00 60.13 H new ATOM 0 HD2 LYS A 66 36.010 -8.705 12.146 1.00 42.23 H new ATOM 0 HD3 LYS A 66 36.228 -9.742 13.542 1.00 42.23 H new ATOM 0 HE2 LYS A 66 38.542 -10.158 11.978 1.00 40.02 H new ATOM 0 HE3 LYS A 66 38.240 -8.435 11.870 1.00 40.02 H new ATOM 0 HZ1 LYS A 66 39.633 -8.963 13.763 1.00 61.13 H new ATOM 0 HZ2 LYS A 66 38.151 -8.326 14.294 1.00 61.13 H new ATOM 0 HZ3 LYS A 66 38.443 -9.995 14.399 1.00 61.13 H new ATOM 764 N LEU A 67 35.138 -9.884 7.260 1.00 35.13 N ATOM 765 CA LEU A 67 35.323 -9.864 5.814 1.00 41.33 C ATOM 766 C LEU A 67 34.980 -8.493 5.240 1.00 72.34 C ATOM 767 O LEU A 67 34.281 -7.690 5.859 1.00 71.54 O ATOM 768 CB LEU A 67 34.457 -10.938 5.152 1.00 1.34 C ATOM 769 CG LEU A 67 35.043 -12.350 5.126 1.00 43.25 C ATOM 770 CD1 LEU A 67 34.018 -13.344 4.604 1.00 14.33 C ATOM 771 CD2 LEU A 67 36.305 -12.388 4.276 1.00 53.20 C ATOM 0 H LEU A 67 34.289 -10.356 7.569 1.00 35.13 H new ATOM 0 HA LEU A 67 36.372 -10.073 5.605 1.00 41.33 H new ATOM 0 HB2 LEU A 67 33.498 -10.973 5.670 1.00 1.34 H new ATOM 0 HB3 LEU A 67 34.254 -10.631 4.126 1.00 1.34 H new ATOM 0 HG LEU A 67 35.306 -12.632 6.146 1.00 43.25 H new ATOM 0 HD11 LEU A 67 34.453 -14.343 4.593 1.00 14.33 H new ATOM 0 HD12 LEU A 67 33.142 -13.337 5.252 1.00 14.33 H new ATOM 0 HD13 LEU A 67 33.723 -13.065 3.592 1.00 14.33 H new ATOM 0 HD21 LEU A 67 36.708 -13.401 4.269 1.00 53.20 H new ATOM 0 HD22 LEU A 67 36.066 -12.085 3.256 1.00 53.20 H new ATOM 0 HD23 LEU A 67 37.045 -11.705 4.693 1.00 53.20 H new ATOM 783 N PRO A 68 35.480 -8.218 4.026 1.00 44.34 N ATOM 784 CA PRO A 68 35.238 -6.945 3.340 1.00 43.33 C ATOM 785 C PRO A 68 33.791 -6.800 2.883 1.00 14.22 C ATOM 786 O PRO A 68 33.011 -7.750 2.943 1.00 31.33 O ATOM 787 CB PRO A 68 36.176 -7.009 2.131 1.00 11.12 C ATOM 788 CG PRO A 68 36.372 -8.464 1.881 1.00 50.12 C ATOM 789 CD PRO A 68 36.322 -9.127 3.230 1.00 13.23 C ATOM 0 HA PRO A 68 35.418 -6.090 3.992 1.00 43.33 H new ATOM 0 HB2 PRO A 68 35.739 -6.514 1.264 1.00 11.12 H new ATOM 0 HB3 PRO A 68 37.124 -6.512 2.338 1.00 11.12 H new ATOM 0 HG2 PRO A 68 35.594 -8.855 1.225 1.00 50.12 H new ATOM 0 HG3 PRO A 68 37.327 -8.650 1.390 1.00 50.12 H new ATOM 0 HD2 PRO A 68 35.890 -10.126 3.171 1.00 13.23 H new ATOM 0 HD3 PRO A 68 37.317 -9.235 3.662 1.00 13.23 H new ATOM 797 N LYS A 69 33.436 -5.603 2.426 1.00 23.40 N ATOM 798 CA LYS A 69 32.083 -5.333 1.958 1.00 51.25 C ATOM 799 C LYS A 69 31.779 -6.118 0.686 1.00 24.30 C ATOM 800 O LYS A 69 30.723 -6.739 0.565 1.00 12.42 O ATOM 801 CB LYS A 69 31.900 -3.835 1.699 1.00 23.32 C ATOM 802 CG LYS A 69 31.155 -3.114 2.809 1.00 1.51 C ATOM 803 CD LYS A 69 31.575 -1.656 2.907 1.00 23.34 C ATOM 804 CE LYS A 69 31.947 -1.279 4.333 1.00 42.24 C ATOM 805 NZ LYS A 69 33.052 -0.281 4.372 1.00 52.11 N ATOM 0 H LYS A 69 34.068 -4.804 2.370 1.00 23.40 H new ATOM 0 HA LYS A 69 31.388 -5.650 2.735 1.00 51.25 H new ATOM 0 HB2 LYS A 69 32.880 -3.374 1.571 1.00 23.32 H new ATOM 0 HB3 LYS A 69 31.359 -3.700 0.762 1.00 23.32 H new ATOM 0 HG2 LYS A 69 30.082 -3.173 2.626 1.00 1.51 H new ATOM 0 HG3 LYS A 69 31.344 -3.613 3.759 1.00 1.51 H new ATOM 0 HD2 LYS A 69 32.424 -1.476 2.248 1.00 23.34 H new ATOM 0 HD3 LYS A 69 30.762 -1.018 2.561 1.00 23.34 H new ATOM 0 HE2 LYS A 69 31.072 -0.873 4.841 1.00 42.24 H new ATOM 0 HE3 LYS A 69 32.246 -2.174 4.879 1.00 42.24 H new ATOM 0 HZ1 LYS A 69 33.276 -0.050 5.361 1.00 52.11 H new ATOM 0 HZ2 LYS A 69 33.895 -0.678 3.909 1.00 52.11 H new ATOM 0 HZ3 LYS A 69 32.758 0.583 3.873 1.00 52.11 H new ATOM 819 N TRP A 70 32.713 -6.089 -0.259 1.00 24.04 N ATOM 820 CA TRP A 70 32.546 -6.801 -1.520 1.00 63.10 C ATOM 821 C TRP A 70 32.316 -8.289 -1.280 1.00 52.20 C ATOM 822 O TRP A 70 31.459 -8.905 -1.914 1.00 64.45 O ATOM 823 CB TRP A 70 33.774 -6.599 -2.410 1.00 33.13 C ATOM 824 CG TRP A 70 34.940 -7.454 -2.015 1.00 64.14 C ATOM 825 CD1 TRP A 70 35.934 -7.128 -1.138 1.00 23.10 C ATOM 826 CD2 TRP A 70 35.233 -8.774 -2.485 1.00 51.43 C ATOM 827 NE1 TRP A 70 36.828 -8.167 -1.034 1.00 44.30 N ATOM 828 CE2 TRP A 70 36.421 -9.188 -1.850 1.00 34.11 C ATOM 829 CE3 TRP A 70 34.608 -9.647 -3.379 1.00 51.22 C ATOM 830 CZ2 TRP A 70 36.992 -10.436 -2.083 1.00 62.31 C ATOM 831 CZ3 TRP A 70 35.176 -10.886 -3.609 1.00 3.31 C ATOM 832 CH2 TRP A 70 36.358 -11.271 -2.963 1.00 43.33 C ATOM 0 H TRP A 70 33.593 -5.580 -0.175 1.00 24.04 H new ATOM 0 HA TRP A 70 31.669 -6.394 -2.024 1.00 63.10 H new ATOM 0 HB2 TRP A 70 33.505 -6.818 -3.443 1.00 33.13 H new ATOM 0 HB3 TRP A 70 34.072 -5.551 -2.374 1.00 33.13 H new ATOM 0 HD1 TRP A 70 36.007 -6.192 -0.605 1.00 23.10 H new ATOM 0 HE1 TRP A 70 37.660 -8.176 -0.444 1.00 44.30 H new ATOM 0 HE3 TRP A 70 33.697 -9.359 -3.882 1.00 51.22 H new ATOM 0 HZ2 TRP A 70 37.903 -10.735 -1.587 1.00 62.31 H new ATOM 0 HZ3 TRP A 70 34.701 -11.568 -4.298 1.00 3.31 H new ATOM 0 HH2 TRP A 70 36.777 -12.246 -3.163 1.00 43.33 H new ATOM 843 N LYS A 71 33.084 -8.861 -0.360 1.00 65.13 N ATOM 844 CA LYS A 71 32.965 -10.277 -0.034 1.00 14.11 C ATOM 845 C LYS A 71 31.747 -10.530 0.850 1.00 43.13 C ATOM 846 O LYS A 71 31.121 -11.587 0.771 1.00 11.42 O ATOM 847 CB LYS A 71 34.230 -10.769 0.670 1.00 43.03 C ATOM 848 CG LYS A 71 34.280 -12.277 0.849 1.00 31.15 C ATOM 849 CD LYS A 71 34.532 -12.987 -0.470 1.00 31.43 C ATOM 850 CE LYS A 71 33.871 -14.357 -0.501 1.00 1.22 C ATOM 851 NZ LYS A 71 34.771 -15.420 0.025 1.00 43.04 N ATOM 0 H LYS A 71 33.797 -8.365 0.174 1.00 65.13 H new ATOM 0 HA LYS A 71 32.839 -10.829 -0.965 1.00 14.11 H new ATOM 0 HB2 LYS A 71 35.101 -10.451 0.098 1.00 43.03 H new ATOM 0 HB3 LYS A 71 34.300 -10.293 1.648 1.00 43.03 H new ATOM 0 HG2 LYS A 71 35.067 -12.534 1.558 1.00 31.15 H new ATOM 0 HG3 LYS A 71 33.340 -12.625 1.277 1.00 31.15 H new ATOM 0 HD2 LYS A 71 34.150 -12.379 -1.290 1.00 31.43 H new ATOM 0 HD3 LYS A 71 35.605 -13.096 -0.627 1.00 31.43 H new ATOM 0 HE2 LYS A 71 32.955 -14.332 0.090 1.00 1.22 H new ATOM 0 HE3 LYS A 71 33.584 -14.598 -1.524 1.00 1.22 H new ATOM 0 HZ1 LYS A 71 34.283 -16.338 -0.013 1.00 43.04 H new ATOM 0 HZ2 LYS A 71 35.634 -15.462 -0.554 1.00 43.04 H new ATOM 0 HZ3 LYS A 71 35.025 -15.204 1.010 1.00 43.04 H new ATOM 865 N GLN A 72 31.418 -9.554 1.689 1.00 34.25 N ATOM 866 CA GLN A 72 30.275 -9.672 2.587 1.00 53.32 C ATOM 867 C GLN A 72 28.972 -9.761 1.800 1.00 52.51 C ATOM 868 O GLN A 72 28.084 -10.543 2.137 1.00 41.20 O ATOM 869 CB GLN A 72 30.226 -8.480 3.544 1.00 0.12 C ATOM 870 CG GLN A 72 28.929 -8.384 4.331 1.00 71.34 C ATOM 871 CD GLN A 72 28.082 -7.198 3.916 1.00 54.42 C ATOM 872 OE1 GLN A 72 27.927 -6.915 2.728 1.00 63.41 O ATOM 873 NE2 GLN A 72 27.526 -6.495 4.896 1.00 34.43 N ATOM 0 H GLN A 72 31.926 -8.673 1.766 1.00 34.25 H new ATOM 0 HA GLN A 72 30.392 -10.588 3.165 1.00 53.32 H new ATOM 0 HB2 GLN A 72 31.060 -8.551 4.242 1.00 0.12 H new ATOM 0 HB3 GLN A 72 30.364 -7.561 2.974 1.00 0.12 H new ATOM 0 HG2 GLN A 72 28.356 -9.301 4.193 1.00 71.34 H new ATOM 0 HG3 GLN A 72 29.158 -8.308 5.394 1.00 71.34 H new ATOM 0 HE21 GLN A 72 27.680 -6.764 5.868 1.00 34.43 H new ATOM 0 HE22 GLN A 72 26.945 -5.686 4.677 1.00 34.43 H new ATOM 882 N ASN A 73 28.863 -8.953 0.750 1.00 65.23 N ATOM 883 CA ASN A 73 27.668 -8.941 -0.085 1.00 43.42 C ATOM 884 C ASN A 73 27.603 -10.188 -0.962 1.00 40.53 C ATOM 885 O ASN A 73 26.522 -10.639 -1.340 1.00 41.22 O ATOM 886 CB ASN A 73 27.645 -7.685 -0.960 1.00 71.43 C ATOM 887 CG ASN A 73 26.513 -6.745 -0.594 1.00 73.45 C ATOM 888 OD1 ASN A 73 26.172 -6.594 0.578 1.00 25.15 O ATOM 889 ND2 ASN A 73 25.923 -6.110 -1.601 1.00 2.21 N ATOM 0 H ASN A 73 29.588 -8.298 0.458 1.00 65.23 H new ATOM 0 HA ASN A 73 26.797 -8.935 0.570 1.00 43.42 H new ATOM 0 HB2 ASN A 73 28.595 -7.160 -0.862 1.00 71.43 H new ATOM 0 HB3 ASN A 73 27.548 -7.976 -2.006 1.00 71.43 H new ATOM 0 HD21 ASN A 73 25.154 -5.466 -1.417 1.00 2.21 H new ATOM 0 HD22 ASN A 73 26.240 -6.266 -2.558 1.00 2.21 H new ATOM 896 N LYS A 74 28.768 -10.740 -1.282 1.00 62.01 N ATOM 897 CA LYS A 74 28.846 -11.936 -2.113 1.00 12.14 C ATOM 898 C LYS A 74 28.351 -13.161 -1.350 1.00 41.21 C ATOM 899 O LYS A 74 27.478 -13.889 -1.824 1.00 21.11 O ATOM 900 CB LYS A 74 30.284 -12.162 -2.584 1.00 24.43 C ATOM 901 CG LYS A 74 30.760 -11.138 -3.599 1.00 25.35 C ATOM 902 CD LYS A 74 30.418 -11.559 -5.018 1.00 42.53 C ATOM 903 CE LYS A 74 31.304 -10.858 -6.036 1.00 4.54 C ATOM 904 NZ LYS A 74 31.112 -9.381 -6.016 1.00 20.03 N ATOM 0 H LYS A 74 29.672 -10.378 -0.978 1.00 62.01 H new ATOM 0 HA LYS A 74 28.205 -11.787 -2.982 1.00 12.14 H new ATOM 0 HB2 LYS A 74 30.948 -12.140 -1.720 1.00 24.43 H new ATOM 0 HB3 LYS A 74 30.362 -13.158 -3.021 1.00 24.43 H new ATOM 0 HG2 LYS A 74 30.302 -10.172 -3.385 1.00 25.35 H new ATOM 0 HG3 LYS A 74 31.838 -11.007 -3.507 1.00 25.35 H new ATOM 0 HD2 LYS A 74 30.533 -12.638 -5.116 1.00 42.53 H new ATOM 0 HD3 LYS A 74 29.373 -11.330 -5.225 1.00 42.53 H new ATOM 0 HE2 LYS A 74 32.349 -11.091 -5.830 1.00 4.54 H new ATOM 0 HE3 LYS A 74 31.083 -11.239 -7.033 1.00 4.54 H new ATOM 0 HZ1 LYS A 74 31.683 -8.947 -6.769 1.00 20.03 H new ATOM 0 HZ2 LYS A 74 30.108 -9.159 -6.171 1.00 20.03 H new ATOM 0 HZ3 LYS A 74 31.411 -9.004 -5.094 1.00 20.03 H new ATOM 918 N PHE A 75 28.912 -13.382 -0.166 1.00 60.10 N ATOM 919 CA PHE A 75 28.527 -14.519 0.662 1.00 13.13 C ATOM 920 C PHE A 75 27.041 -14.463 1.006 1.00 41.31 C ATOM 921 O PHE A 75 26.357 -15.487 1.026 1.00 30.31 O ATOM 922 CB PHE A 75 29.357 -14.546 1.947 1.00 22.34 C ATOM 923 CG PHE A 75 30.213 -15.773 2.081 1.00 22.02 C ATOM 924 CD1 PHE A 75 29.684 -17.032 1.848 1.00 44.14 C ATOM 925 CD2 PHE A 75 31.547 -15.667 2.441 1.00 31.15 C ATOM 926 CE1 PHE A 75 30.470 -18.163 1.970 1.00 43.10 C ATOM 927 CE2 PHE A 75 32.337 -16.794 2.565 1.00 51.41 C ATOM 928 CZ PHE A 75 31.798 -18.044 2.330 1.00 52.30 C ATOM 0 H PHE A 75 29.635 -12.789 0.242 1.00 60.10 H new ATOM 0 HA PHE A 75 28.718 -15.430 0.095 1.00 13.13 H new ATOM 0 HB2 PHE A 75 29.995 -13.663 1.977 1.00 22.34 H new ATOM 0 HB3 PHE A 75 28.687 -14.485 2.804 1.00 22.34 H new ATOM 0 HD1 PHE A 75 28.646 -17.131 1.568 1.00 44.14 H new ATOM 0 HD2 PHE A 75 31.974 -14.693 2.627 1.00 31.15 H new ATOM 0 HE1 PHE A 75 30.046 -19.139 1.784 1.00 43.10 H new ATOM 0 HE2 PHE A 75 33.375 -16.698 2.846 1.00 51.41 H new ATOM 0 HZ PHE A 75 32.414 -18.926 2.428 1.00 52.30 H new ATOM 938 N LYS A 76 26.547 -13.260 1.276 1.00 53.24 N ATOM 939 CA LYS A 76 25.143 -13.067 1.618 1.00 60.34 C ATOM 940 C LYS A 76 24.238 -13.825 0.651 1.00 43.20 C ATOM 941 O LYS A 76 23.493 -14.717 1.054 1.00 64.32 O ATOM 942 CB LYS A 76 24.791 -11.578 1.600 1.00 1.12 C ATOM 943 CG LYS A 76 24.720 -10.953 2.983 1.00 52.11 C ATOM 944 CD LYS A 76 25.130 -9.490 2.956 1.00 61.21 C ATOM 945 CE LYS A 76 24.226 -8.675 2.044 1.00 15.35 C ATOM 946 NZ LYS A 76 24.187 -7.240 2.443 1.00 74.34 N ATOM 0 H LYS A 76 27.099 -12.402 1.265 1.00 53.24 H new ATOM 0 HA LYS A 76 24.983 -13.460 2.622 1.00 60.34 H new ATOM 0 HB2 LYS A 76 25.534 -11.045 1.007 1.00 1.12 H new ATOM 0 HB3 LYS A 76 23.831 -11.446 1.101 1.00 1.12 H new ATOM 0 HG2 LYS A 76 23.705 -11.040 3.371 1.00 52.11 H new ATOM 0 HG3 LYS A 76 25.370 -11.501 3.665 1.00 52.11 H new ATOM 0 HD2 LYS A 76 25.093 -9.082 3.966 1.00 61.21 H new ATOM 0 HD3 LYS A 76 26.162 -9.406 2.616 1.00 61.21 H new ATOM 0 HE2 LYS A 76 24.578 -8.757 1.016 1.00 15.35 H new ATOM 0 HE3 LYS A 76 23.217 -9.087 2.069 1.00 15.35 H new ATOM 0 HZ1 LYS A 76 23.257 -6.839 2.207 1.00 74.34 H new ATOM 0 HZ2 LYS A 76 24.349 -7.160 3.467 1.00 74.34 H new ATOM 0 HZ3 LYS A 76 24.928 -6.718 1.934 1.00 74.34 H new ATOM 960 N MET A 77 24.311 -13.464 -0.627 1.00 32.24 N ATOM 961 CA MET A 77 23.500 -14.113 -1.651 1.00 22.43 C ATOM 962 C MET A 77 23.932 -15.563 -1.848 1.00 2.30 C ATOM 963 O MET A 77 23.134 -16.408 -2.251 1.00 71.01 O ATOM 964 CB MET A 77 23.607 -13.352 -2.973 1.00 63.13 C ATOM 965 CG MET A 77 25.034 -13.206 -3.478 1.00 34.22 C ATOM 966 SD MET A 77 25.157 -12.117 -4.909 1.00 12.15 S ATOM 967 CE MET A 77 26.211 -13.086 -5.983 1.00 45.14 C ATOM 0 H MET A 77 24.923 -12.727 -0.977 1.00 32.24 H new ATOM 0 HA MET A 77 22.462 -14.104 -1.318 1.00 22.43 H new ATOM 0 HB2 MET A 77 23.014 -13.868 -3.728 1.00 63.13 H new ATOM 0 HB3 MET A 77 23.171 -12.361 -2.848 1.00 63.13 H new ATOM 0 HG2 MET A 77 25.661 -12.817 -2.676 1.00 34.22 H new ATOM 0 HG3 MET A 77 25.425 -14.189 -3.740 1.00 34.22 H new ATOM 0 HE1 MET A 77 26.380 -12.543 -6.913 1.00 45.14 H new ATOM 0 HE2 MET A 77 27.166 -13.266 -5.489 1.00 45.14 H new ATOM 0 HE3 MET A 77 25.730 -14.039 -6.201 1.00 45.14 H new ATOM 977 N ALA A 78 25.199 -15.843 -1.562 1.00 3.40 N ATOM 978 CA ALA A 78 25.737 -17.190 -1.706 1.00 54.25 C ATOM 979 C ALA A 78 24.894 -18.201 -0.937 1.00 21.45 C ATOM 980 O ALA A 78 24.626 -19.300 -1.425 1.00 12.33 O ATOM 981 CB ALA A 78 27.182 -17.236 -1.235 1.00 3.11 C ATOM 0 H ALA A 78 25.873 -15.154 -1.229 1.00 3.40 H new ATOM 0 HA ALA A 78 25.704 -17.457 -2.762 1.00 54.25 H new ATOM 0 HB1 ALA A 78 27.570 -18.248 -1.349 1.00 3.11 H new ATOM 0 HB2 ALA A 78 27.781 -16.549 -1.832 1.00 3.11 H new ATOM 0 HB3 ALA A 78 27.232 -16.944 -0.186 1.00 3.11 H new ATOM 987 N VAL A 79 24.480 -17.825 0.269 1.00 45.14 N ATOM 988 CA VAL A 79 23.669 -18.700 1.107 1.00 42.11 C ATOM 989 C VAL A 79 22.186 -18.370 0.972 1.00 45.42 C ATOM 990 O VAL A 79 21.368 -18.804 1.781 1.00 61.33 O ATOM 991 CB VAL A 79 24.075 -18.593 2.589 1.00 52.53 C ATOM 992 CG1 VAL A 79 25.579 -18.409 2.719 1.00 52.14 C ATOM 993 CG2 VAL A 79 23.329 -17.451 3.263 1.00 3.12 C ATOM 0 H VAL A 79 24.693 -16.920 0.688 1.00 45.14 H new ATOM 0 HA VAL A 79 23.844 -19.719 0.763 1.00 42.11 H new ATOM 0 HB VAL A 79 23.803 -19.521 3.091 1.00 52.53 H new ATOM 0 HG11 VAL A 79 25.847 -18.335 3.773 1.00 52.14 H new ATOM 0 HG12 VAL A 79 26.090 -19.263 2.274 1.00 52.14 H new ATOM 0 HG13 VAL A 79 25.880 -17.497 2.204 1.00 52.14 H new ATOM 0 HG21 VAL A 79 23.627 -17.389 4.310 1.00 3.12 H new ATOM 0 HG22 VAL A 79 23.569 -16.514 2.761 1.00 3.12 H new ATOM 0 HG23 VAL A 79 22.256 -17.631 3.202 1.00 3.12 H new ATOM 1003 N GLN A 80 21.850 -17.598 -0.057 1.00 12.13 N ATOM 1004 CA GLN A 80 20.465 -17.208 -0.298 1.00 63.52 C ATOM 1005 C GLN A 80 19.980 -16.232 0.768 1.00 4.43 C ATOM 1006 O GLN A 80 18.793 -16.190 1.094 1.00 62.13 O ATOM 1007 CB GLN A 80 19.563 -18.444 -0.322 1.00 20.20 C ATOM 1008 CG GLN A 80 20.165 -19.622 -1.070 1.00 45.15 C ATOM 1009 CD GLN A 80 20.676 -19.241 -2.446 1.00 52.42 C ATOM 1010 OE1 GLN A 80 21.884 -19.193 -2.681 1.00 1.52 O ATOM 1011 NE2 GLN A 80 19.757 -18.968 -3.364 1.00 40.55 N ATOM 0 H GLN A 80 22.517 -17.231 -0.736 1.00 12.13 H new ATOM 0 HA GLN A 80 20.417 -16.712 -1.267 1.00 63.52 H new ATOM 0 HB2 GLN A 80 19.348 -18.747 0.703 1.00 20.20 H new ATOM 0 HB3 GLN A 80 18.611 -18.180 -0.783 1.00 20.20 H new ATOM 0 HG2 GLN A 80 20.985 -20.038 -0.485 1.00 45.15 H new ATOM 0 HG3 GLN A 80 19.414 -20.406 -1.170 1.00 45.15 H new ATOM 0 HE21 GLN A 80 18.767 -19.020 -3.126 1.00 40.55 H new ATOM 0 HE22 GLN A 80 20.041 -18.706 -4.308 1.00 40.55 H new ATOM 1020 N LEU A 81 20.907 -15.447 1.309 1.00 33.54 N ATOM 1021 CA LEU A 81 20.574 -14.470 2.340 1.00 62.10 C ATOM 1022 C LEU A 81 21.014 -13.070 1.924 1.00 22.11 C ATOM 1023 O LEU A 81 22.165 -12.683 2.128 1.00 74.50 O ATOM 1024 CB LEU A 81 21.235 -14.853 3.665 1.00 42.52 C ATOM 1025 CG LEU A 81 20.530 -15.940 4.478 1.00 50.30 C ATOM 1026 CD1 LEU A 81 21.208 -16.121 5.827 1.00 54.03 C ATOM 1027 CD2 LEU A 81 19.059 -15.599 4.660 1.00 15.21 C ATOM 0 H LEU A 81 21.894 -15.468 1.051 1.00 33.54 H new ATOM 0 HA LEU A 81 19.492 -14.467 2.469 1.00 62.10 H new ATOM 0 HB2 LEU A 81 22.252 -15.185 3.458 1.00 42.52 H new ATOM 0 HB3 LEU A 81 21.311 -13.958 4.282 1.00 42.52 H new ATOM 0 HG LEU A 81 20.600 -16.880 3.930 1.00 50.30 H new ATOM 0 HD11 LEU A 81 20.693 -16.898 6.392 1.00 54.03 H new ATOM 0 HD12 LEU A 81 22.248 -16.411 5.676 1.00 54.03 H new ATOM 0 HD13 LEU A 81 21.170 -15.184 6.382 1.00 54.03 H new ATOM 0 HD21 LEU A 81 18.573 -16.383 5.241 1.00 15.21 H new ATOM 0 HD22 LEU A 81 18.968 -14.649 5.186 1.00 15.21 H new ATOM 0 HD23 LEU A 81 18.580 -15.521 3.684 1.00 15.21 H new ATOM 1039 N PHE A 82 20.089 -12.312 1.343 1.00 73.20 N ATOM 1040 CA PHE A 82 20.381 -10.954 0.900 1.00 32.31 C ATOM 1041 C PHE A 82 19.146 -10.066 1.019 1.00 33.21 C ATOM 1042 O PHE A 82 18.396 -10.156 1.991 1.00 62.34 O ATOM 1043 CB PHE A 82 20.880 -10.963 -0.546 1.00 54.15 C ATOM 1044 CG PHE A 82 21.443 -9.645 -0.995 1.00 10.32 C ATOM 1045 CD1 PHE A 82 20.658 -8.743 -1.695 1.00 4.14 C ATOM 1046 CD2 PHE A 82 22.758 -9.308 -0.716 1.00 30.11 C ATOM 1047 CE1 PHE A 82 21.173 -7.528 -2.108 1.00 22.13 C ATOM 1048 CE2 PHE A 82 23.278 -8.095 -1.126 1.00 23.41 C ATOM 1049 CZ PHE A 82 22.486 -7.204 -1.824 1.00 33.54 C ATOM 0 H PHE A 82 19.131 -12.616 1.168 1.00 73.20 H new ATOM 0 HA PHE A 82 21.162 -10.548 1.543 1.00 32.31 H new ATOM 0 HB2 PHE A 82 21.646 -11.731 -0.653 1.00 54.15 H new ATOM 0 HB3 PHE A 82 20.057 -11.240 -1.204 1.00 54.15 H new ATOM 0 HD1 PHE A 82 19.632 -8.992 -1.921 1.00 4.14 H new ATOM 0 HD2 PHE A 82 23.383 -10.001 -0.172 1.00 30.11 H new ATOM 0 HE1 PHE A 82 20.550 -6.833 -2.652 1.00 22.13 H new ATOM 0 HE2 PHE A 82 24.304 -7.844 -0.901 1.00 23.41 H new ATOM 0 HZ PHE A 82 22.892 -6.257 -2.147 1.00 33.54 H new TER 1059 PHE A 82