USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 904 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 THR OG1 : rot -159:sc= 0.947 USER MOD Set 1.2: C 69 MET CE :methyl 160:sc= -2.01 (180deg=-4.15!) USER MOD Set 2.1: B 73 THR OG1 : rot 76:sc= -0.438 USER MOD Set 2.2: C 78 TYR OH : rot -70:sc= -3.31! USER MOD Set 2.3: D 62 GLN : amide:sc= -5.01! C(o=-8.8!,f=-13!) USER MOD Set 3.1: A 78 TYR OH : rot -75:sc= -3.52! USER MOD Set 3.2: B 62 GLN : amide:sc= -4.91! C(o=-8.8!,f=-14!) USER MOD Set 3.3: D 73 THR OG1 : rot 76:sc= -0.366 USER MOD Set 4.1: A 69 MET CE :methyl 156:sc= -2.19 (180deg=-4.44!) USER MOD Set 4.2: C 73 THR OG1 : rot -173:sc= 0.892 USER MOD Single : A 62 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.4) USER MOD Single : A 63 SER OG : rot -83:sc= 0.825 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.373 (180deg=-0.879) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 79:sc= 0.509 USER MOD Single : B 63 SER OG : rot -117:sc= -1.03! USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 159:sc= -3.51 (180deg=-5.5!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 165:sc= -1.08 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.0832 K(o=-0.083,f=-1.4) USER MOD Single : C 63 SER OG : rot -82:sc= 0.898 USER MOD Single : C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 LYS NZ :NH3+ 147:sc= -0.0349 (180deg=-0.331) USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot 63:sc= 0.706 USER MOD Single : D 63 SER OG : rot -115:sc= -1! USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 159:sc= -3.63 (180deg=-5.58!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 165:sc= -1.49! USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.954 -12.443 -17.005 1.00 30.61 N ATOM 54 CA ALA A 55 24.596 -11.108 -16.546 1.00 28.18 C ATOM 55 C ALA A 55 23.839 -11.167 -15.223 1.00 26.18 C ATOM 56 O ALA A 55 24.077 -10.358 -14.325 1.00 24.58 O ATOM 57 CB ALA A 55 23.767 -10.392 -17.601 1.00 27.38 C ATOM 0 HA ALA A 55 25.516 -10.547 -16.382 1.00 28.18 H new ATOM 0 HB1 ALA A 55 23.507 -9.395 -17.244 1.00 27.38 H new ATOM 0 HB2 ALA A 55 24.344 -10.309 -18.522 1.00 27.38 H new ATOM 0 HB3 ALA A 55 22.856 -10.958 -17.794 1.00 27.38 H new ATOM 63 N GLU A 56 22.929 -12.129 -15.106 1.00 26.46 N ATOM 64 CA GLU A 56 22.143 -12.290 -13.888 1.00 24.86 C ATOM 65 C GLU A 56 23.035 -12.700 -12.723 1.00 25.05 C ATOM 66 O GLU A 56 23.031 -12.061 -11.670 1.00 24.79 O ATOM 67 CB GLU A 56 21.041 -13.333 -14.095 1.00 25.80 C ATOM 68 CG GLU A 56 19.885 -13.198 -13.118 1.00 25.91 C ATOM 69 CD GLU A 56 18.929 -14.374 -13.179 1.00 26.80 C ATOM 70 OE1 GLU A 56 19.231 -15.419 -12.565 1.00 27.62 O ATOM 71 OE2 GLU A 56 17.876 -14.249 -13.841 1.00 26.85 O ATOM 0 H GLU A 56 22.718 -12.807 -15.838 1.00 26.46 H new ATOM 0 HA GLU A 56 21.681 -11.331 -13.653 1.00 24.86 H new ATOM 0 HB2 GLU A 56 20.658 -13.248 -15.112 1.00 25.80 H new ATOM 0 HB3 GLU A 56 21.473 -14.329 -13.999 1.00 25.80 H new ATOM 0 HG2 GLU A 56 20.279 -13.107 -12.106 1.00 25.91 H new ATOM 0 HG3 GLU A 56 19.339 -12.279 -13.332 1.00 25.91 H new ATOM 78 N ARG A 57 23.801 -13.763 -12.922 1.00 25.62 N ATOM 79 CA ARG A 57 24.706 -14.254 -11.891 1.00 25.87 C ATOM 80 C ARG A 57 25.758 -13.204 -11.562 1.00 26.25 C ATOM 81 O ARG A 57 26.041 -12.931 -10.396 1.00 26.59 O ATOM 82 CB ARG A 57 25.384 -15.548 -12.344 1.00 25.83 C ATOM 83 CG ARG A 57 24.425 -16.563 -12.945 1.00 24.99 C ATOM 84 CD ARG A 57 25.132 -17.867 -13.276 1.00 24.98 C ATOM 85 NE ARG A 57 24.315 -18.732 -14.122 1.00 24.78 N ATOM 86 CZ ARG A 57 23.336 -19.503 -13.659 1.00 23.40 C ATOM 87 NH1 ARG A 57 23.059 -19.517 -12.362 1.00 22.18 N ATOM 88 NH2 ARG A 57 22.635 -20.259 -14.491 1.00 23.39 N ATOM 0 H ARG A 57 23.814 -14.302 -13.788 1.00 25.62 H new ATOM 0 HA ARG A 57 24.122 -14.460 -10.994 1.00 25.87 H new ATOM 0 HB2 ARG A 57 26.152 -15.307 -13.079 1.00 25.83 H new ATOM 0 HB3 ARG A 57 25.890 -16.000 -11.491 1.00 25.83 H new ATOM 0 HG2 ARG A 57 23.612 -16.756 -12.245 1.00 24.99 H new ATOM 0 HG3 ARG A 57 23.977 -16.151 -13.849 1.00 24.99 H new ATOM 0 HD2 ARG A 57 26.074 -17.651 -13.781 1.00 24.98 H new ATOM 0 HD3 ARG A 57 25.378 -18.391 -12.352 1.00 24.98 H new ATOM 0 HE ARG A 57 24.506 -18.746 -15.124 1.00 24.78 H new ATOM 0 HH11 ARG A 57 23.597 -18.936 -11.719 1.00 22.18 H new ATOM 0 HH12 ARG A 57 22.308 -20.109 -12.007 1.00 22.18 H new ATOM 0 HH21 ARG A 57 22.846 -20.250 -15.489 1.00 23.39 H new ATOM 0 HH22 ARG A 57 21.884 -20.850 -14.134 1.00 23.39 H new ATOM 102 N LEU A 58 26.331 -12.615 -12.606 1.00 26.21 N ATOM 103 CA LEU A 58 27.350 -11.586 -12.441 1.00 26.60 C ATOM 104 C LEU A 58 26.847 -10.468 -11.535 1.00 24.51 C ATOM 105 O LEU A 58 27.527 -10.066 -10.592 1.00 23.26 O ATOM 106 CB LEU A 58 27.753 -11.016 -13.803 1.00 27.16 C ATOM 107 CG LEU A 58 28.791 -11.838 -14.568 1.00 27.45 C ATOM 108 CD1 LEU A 58 29.261 -11.090 -15.805 1.00 27.05 C ATOM 109 CD2 LEU A 58 29.969 -12.175 -13.667 1.00 27.93 C ATOM 0 H LEU A 58 26.106 -12.833 -13.577 1.00 26.21 H new ATOM 0 HA LEU A 58 28.223 -12.042 -11.975 1.00 26.60 H new ATOM 0 HB2 LEU A 58 26.859 -10.923 -14.420 1.00 27.16 H new ATOM 0 HB3 LEU A 58 28.145 -10.010 -13.657 1.00 27.16 H new ATOM 0 HG LEU A 58 28.324 -12.769 -14.889 1.00 27.45 H new ATOM 0 HD11 LEU A 58 29.999 -11.692 -16.335 1.00 27.05 H new ATOM 0 HD12 LEU A 58 28.411 -10.899 -16.460 1.00 27.05 H new ATOM 0 HD13 LEU A 58 29.711 -10.142 -15.508 1.00 27.05 H new ATOM 0 HD21 LEU A 58 30.699 -12.760 -14.226 1.00 27.93 H new ATOM 0 HD22 LEU A 58 30.434 -11.254 -13.317 1.00 27.93 H new ATOM 0 HD23 LEU A 58 29.619 -12.753 -12.812 1.00 27.93 H new ATOM 121 N ALA A 59 25.647 -9.973 -11.825 1.00 24.32 N ATOM 122 CA ALA A 59 25.051 -8.906 -11.032 1.00 22.46 C ATOM 123 C ALA A 59 25.056 -9.266 -9.550 1.00 22.01 C ATOM 124 O ALA A 59 25.335 -8.424 -8.697 1.00 21.55 O ATOM 125 CB ALA A 59 23.632 -8.625 -11.505 1.00 20.46 C ATOM 0 H ALA A 59 25.070 -10.294 -12.602 1.00 24.32 H new ATOM 0 HA ALA A 59 25.649 -8.005 -11.166 1.00 22.46 H new ATOM 0 HB1 ALA A 59 23.199 -7.826 -10.903 1.00 20.46 H new ATOM 0 HB2 ALA A 59 23.651 -8.322 -12.552 1.00 20.46 H new ATOM 0 HB3 ALA A 59 23.028 -9.526 -11.399 1.00 20.46 H new ATOM 131 N ASP A 60 24.753 -10.525 -9.254 1.00 22.57 N ATOM 132 CA ASP A 60 24.729 -11.003 -7.877 1.00 22.74 C ATOM 133 C ASP A 60 26.144 -11.100 -7.320 1.00 22.54 C ATOM 134 O ASP A 60 26.359 -10.979 -6.114 1.00 22.75 O ATOM 135 CB ASP A 60 24.042 -12.367 -7.799 1.00 24.79 C ATOM 136 CG ASP A 60 23.643 -12.735 -6.383 1.00 25.22 C ATOM 137 OD1 ASP A 60 23.199 -11.836 -5.638 1.00 24.21 O ATOM 138 OD2 ASP A 60 23.774 -13.922 -6.019 1.00 26.63 O ATOM 0 H ASP A 60 24.520 -11.233 -9.950 1.00 22.57 H new ATOM 0 HA ASP A 60 24.165 -10.289 -7.277 1.00 22.74 H new ATOM 0 HB2 ASP A 60 23.155 -12.361 -8.433 1.00 24.79 H new ATOM 0 HB3 ASP A 60 24.711 -13.131 -8.195 1.00 24.79 H new ATOM 143 N GLU A 61 27.108 -11.316 -8.210 1.00 22.32 N ATOM 144 CA GLU A 61 28.505 -11.427 -7.814 1.00 22.14 C ATOM 145 C GLU A 61 29.086 -10.055 -7.503 1.00 20.27 C ATOM 146 O GLU A 61 29.675 -9.841 -6.444 1.00 20.02 O ATOM 147 CB GLU A 61 29.320 -12.101 -8.920 1.00 23.15 C ATOM 148 CG GLU A 61 30.636 -12.686 -8.437 1.00 24.30 C ATOM 149 CD GLU A 61 31.154 -13.784 -9.347 1.00 26.26 C ATOM 150 OE1 GLU A 61 31.652 -13.458 -10.445 1.00 26.99 O ATOM 151 OE2 GLU A 61 31.062 -14.967 -8.962 1.00 27.31 O ATOM 0 H GLU A 61 26.945 -11.418 -9.212 1.00 22.32 H new ATOM 0 HA GLU A 61 28.556 -12.039 -6.914 1.00 22.14 H new ATOM 0 HB2 GLU A 61 28.722 -12.895 -9.368 1.00 23.15 H new ATOM 0 HB3 GLU A 61 29.522 -11.373 -9.705 1.00 23.15 H new ATOM 0 HG2 GLU A 61 31.380 -11.892 -8.371 1.00 24.30 H new ATOM 0 HG3 GLU A 61 30.505 -13.084 -7.431 1.00 24.30 H new ATOM 158 N GLN A 62 28.912 -9.128 -8.435 1.00 19.39 N ATOM 159 CA GLN A 62 29.413 -7.770 -8.267 1.00 17.98 C ATOM 160 C GLN A 62 28.887 -7.158 -6.975 1.00 16.76 C ATOM 161 O GLN A 62 29.642 -6.565 -6.204 1.00 17.03 O ATOM 162 CB GLN A 62 29.009 -6.903 -9.461 1.00 16.31 C ATOM 163 CG GLN A 62 29.427 -7.484 -10.801 1.00 17.06 C ATOM 164 CD GLN A 62 30.931 -7.608 -10.938 1.00 17.23 C ATOM 165 OE1 GLN A 62 31.687 -6.954 -10.220 1.00 16.34 O ATOM 166 NE2 GLN A 62 31.374 -8.450 -11.864 1.00 18.61 N ATOM 0 H GLN A 62 28.427 -9.292 -9.317 1.00 19.39 H new ATOM 0 HA GLN A 62 30.501 -7.812 -8.213 1.00 17.98 H new ATOM 0 HB2 GLN A 62 27.927 -6.770 -9.453 1.00 16.31 H new ATOM 0 HB3 GLN A 62 29.453 -5.914 -9.348 1.00 16.31 H new ATOM 0 HG2 GLN A 62 28.972 -8.467 -10.925 1.00 17.06 H new ATOM 0 HG3 GLN A 62 29.044 -6.852 -11.602 1.00 17.06 H new ATOM 0 HE21 GLN A 62 30.711 -8.972 -12.437 1.00 18.61 H new ATOM 0 HE22 GLN A 62 32.377 -8.575 -12.002 1.00 18.61 H new ATOM 175 N SER A 63 27.587 -7.311 -6.739 1.00 15.76 N ATOM 176 CA SER A 63 26.965 -6.778 -5.534 1.00 14.59 C ATOM 177 C SER A 63 27.567 -7.424 -4.292 1.00 13.39 C ATOM 178 O SER A 63 27.847 -6.749 -3.302 1.00 12.52 O ATOM 179 CB SER A 63 25.454 -7.010 -5.565 1.00 14.23 C ATOM 180 OG SER A 63 25.150 -8.362 -5.867 1.00 13.78 O ATOM 0 H SER A 63 26.946 -7.799 -7.365 1.00 15.76 H new ATOM 0 HA SER A 63 27.154 -5.705 -5.497 1.00 14.59 H new ATOM 0 HB2 SER A 63 25.022 -6.744 -4.600 1.00 14.23 H new ATOM 0 HB3 SER A 63 24.998 -6.357 -6.309 1.00 14.23 H new ATOM 0 HG SER A 63 25.169 -8.493 -6.838 1.00 13.78 H new ATOM 186 N GLU A 64 27.773 -8.737 -4.356 1.00 13.42 N ATOM 187 CA GLU A 64 28.352 -9.471 -3.239 1.00 12.47 C ATOM 188 C GLU A 64 29.656 -8.820 -2.796 1.00 12.26 C ATOM 189 O GLU A 64 29.970 -8.776 -1.605 1.00 11.75 O ATOM 190 CB GLU A 64 28.601 -10.929 -3.628 1.00 12.95 C ATOM 191 CG GLU A 64 27.847 -11.928 -2.766 1.00 13.52 C ATOM 192 CD GLU A 64 27.963 -13.349 -3.282 1.00 15.26 C ATOM 193 OE1 GLU A 64 28.291 -13.521 -4.475 1.00 15.20 O ATOM 194 OE2 GLU A 64 27.729 -14.287 -2.493 1.00 16.80 O ATOM 0 H GLU A 64 27.548 -9.311 -5.168 1.00 13.42 H new ATOM 0 HA GLU A 64 27.646 -9.446 -2.409 1.00 12.47 H new ATOM 0 HB2 GLU A 64 28.314 -11.072 -4.670 1.00 12.95 H new ATOM 0 HB3 GLU A 64 29.669 -11.137 -3.560 1.00 12.95 H new ATOM 0 HG2 GLU A 64 28.229 -11.884 -1.746 1.00 13.52 H new ATOM 0 HG3 GLU A 64 26.795 -11.645 -2.725 1.00 13.52 H new ATOM 201 N LEU A 65 30.410 -8.308 -3.764 1.00 13.04 N ATOM 202 CA LEU A 65 31.677 -7.648 -3.479 1.00 12.88 C ATOM 203 C LEU A 65 31.440 -6.345 -2.725 1.00 11.79 C ATOM 204 O LEU A 65 32.158 -6.022 -1.779 1.00 13.09 O ATOM 205 CB LEU A 65 32.437 -7.374 -4.778 1.00 12.61 C ATOM 206 CG LEU A 65 33.142 -8.590 -5.382 1.00 14.15 C ATOM 207 CD1 LEU A 65 33.048 -8.562 -6.900 1.00 15.32 C ATOM 208 CD2 LEU A 65 34.596 -8.637 -4.937 1.00 16.28 C ATOM 0 H LEU A 65 30.164 -8.338 -4.753 1.00 13.04 H new ATOM 0 HA LEU A 65 32.278 -8.309 -2.854 1.00 12.88 H new ATOM 0 HB2 LEU A 65 31.738 -6.975 -5.513 1.00 12.61 H new ATOM 0 HB3 LEU A 65 33.179 -6.598 -4.591 1.00 12.61 H new ATOM 0 HG LEU A 65 32.643 -9.491 -5.024 1.00 14.15 H new ATOM 0 HD11 LEU A 65 33.555 -9.435 -7.312 1.00 15.32 H new ATOM 0 HD12 LEU A 65 32.000 -8.576 -7.200 1.00 15.32 H new ATOM 0 HD13 LEU A 65 33.521 -7.656 -7.277 1.00 15.32 H new ATOM 0 HD21 LEU A 65 35.083 -9.508 -5.376 1.00 16.28 H new ATOM 0 HD22 LEU A 65 35.107 -7.732 -5.266 1.00 16.28 H new ATOM 0 HD23 LEU A 65 34.642 -8.705 -3.850 1.00 16.28 H new ATOM 220 N VAL A 66 30.420 -5.604 -3.146 1.00 9.60 N ATOM 221 CA VAL A 66 30.078 -4.342 -2.507 1.00 8.68 C ATOM 222 C VAL A 66 29.569 -4.576 -1.091 1.00 8.66 C ATOM 223 O VAL A 66 29.916 -3.843 -0.164 1.00 9.74 O ATOM 224 CB VAL A 66 29.007 -3.574 -3.306 1.00 8.68 C ATOM 225 CG1 VAL A 66 28.733 -2.219 -2.672 1.00 8.51 C ATOM 226 CG2 VAL A 66 29.434 -3.415 -4.756 1.00 8.99 C ATOM 0 H VAL A 66 29.816 -5.858 -3.928 1.00 9.60 H new ATOM 0 HA VAL A 66 30.988 -3.743 -2.475 1.00 8.68 H new ATOM 0 HB VAL A 66 28.083 -4.152 -3.284 1.00 8.68 H new ATOM 0 HG11 VAL A 66 27.974 -1.693 -3.251 1.00 8.51 H new ATOM 0 HG12 VAL A 66 28.377 -2.360 -1.651 1.00 8.51 H new ATOM 0 HG13 VAL A 66 29.651 -1.631 -2.658 1.00 8.51 H new ATOM 0 HG21 VAL A 66 28.665 -2.870 -5.304 1.00 8.99 H new ATOM 0 HG22 VAL A 66 30.372 -2.862 -4.800 1.00 8.99 H new ATOM 0 HG23 VAL A 66 29.571 -4.399 -5.205 1.00 8.99 H new ATOM 236 N LYS A 67 28.746 -5.608 -0.930 1.00 8.02 N ATOM 237 CA LYS A 67 28.190 -5.948 0.373 1.00 9.03 C ATOM 238 C LYS A 67 29.298 -6.350 1.339 1.00 10.22 C ATOM 239 O LYS A 67 29.329 -5.902 2.485 1.00 11.17 O ATOM 240 CB LYS A 67 27.174 -7.084 0.237 1.00 11.10 C ATOM 241 CG LYS A 67 26.580 -7.529 1.564 1.00 12.11 C ATOM 242 CD LYS A 67 26.448 -9.042 1.635 1.00 14.59 C ATOM 243 CE LYS A 67 26.673 -9.554 3.050 1.00 17.05 C ATOM 244 NZ LYS A 67 27.993 -10.229 3.192 1.00 18.56 N ATOM 0 H LYS A 67 28.450 -6.223 -1.688 1.00 8.02 H new ATOM 0 HA LYS A 67 27.684 -5.068 0.771 1.00 9.03 H new ATOM 0 HB2 LYS A 67 26.368 -6.763 -0.423 1.00 11.10 H new ATOM 0 HB3 LYS A 67 27.656 -7.937 -0.240 1.00 11.10 H new ATOM 0 HG2 LYS A 67 27.210 -7.179 2.382 1.00 12.11 H new ATOM 0 HG3 LYS A 67 25.600 -7.070 1.697 1.00 12.11 H new ATOM 0 HD2 LYS A 67 25.457 -9.339 1.293 1.00 14.59 H new ATOM 0 HD3 LYS A 67 27.169 -9.504 0.961 1.00 14.59 H new ATOM 0 HE2 LYS A 67 26.613 -8.722 3.751 1.00 17.05 H new ATOM 0 HE3 LYS A 67 25.878 -10.251 3.315 1.00 17.05 H new ATOM 0 HZ1 LYS A 67 28.108 -10.564 4.170 1.00 18.56 H new ATOM 0 HZ2 LYS A 67 28.041 -11.039 2.541 1.00 18.56 H new ATOM 0 HZ3 LYS A 67 28.753 -9.557 2.964 1.00 18.56 H new ATOM 258 N LYS A 68 30.208 -7.195 0.866 1.00 10.35 N ATOM 259 CA LYS A 68 31.323 -7.653 1.686 1.00 11.60 C ATOM 260 C LYS A 68 32.159 -6.470 2.158 1.00 9.86 C ATOM 261 O LYS A 68 32.675 -6.464 3.276 1.00 10.21 O ATOM 262 CB LYS A 68 32.198 -8.632 0.901 1.00 14.01 C ATOM 263 CG LYS A 68 33.290 -9.281 1.736 1.00 15.56 C ATOM 264 CD LYS A 68 33.799 -10.559 1.092 1.00 17.33 C ATOM 265 CE LYS A 68 34.326 -10.305 -0.311 1.00 18.84 C ATOM 266 NZ LYS A 68 35.159 -11.435 -0.806 1.00 21.38 N ATOM 0 H LYS A 68 30.195 -7.576 -0.080 1.00 10.35 H new ATOM 0 HA LYS A 68 30.918 -8.166 2.558 1.00 11.60 H new ATOM 0 HB2 LYS A 68 31.565 -9.412 0.477 1.00 14.01 H new ATOM 0 HB3 LYS A 68 32.657 -8.105 0.065 1.00 14.01 H new ATOM 0 HG2 LYS A 68 34.117 -8.582 1.862 1.00 15.56 H new ATOM 0 HG3 LYS A 68 32.905 -9.502 2.731 1.00 15.56 H new ATOM 0 HD2 LYS A 68 34.591 -10.987 1.707 1.00 17.33 H new ATOM 0 HD3 LYS A 68 32.994 -11.293 1.052 1.00 17.33 H new ATOM 0 HE2 LYS A 68 33.488 -10.147 -0.990 1.00 18.84 H new ATOM 0 HE3 LYS A 68 34.917 -9.389 -0.316 1.00 18.84 H new ATOM 0 HZ1 LYS A 68 35.498 -11.222 -1.766 1.00 21.38 H new ATOM 0 HZ2 LYS A 68 35.973 -11.570 -0.173 1.00 21.38 H new ATOM 0 HZ3 LYS A 68 34.588 -12.304 -0.826 1.00 21.38 H new ATOM 280 N MET A 69 32.283 -5.464 1.298 1.00 8.24 N ATOM 281 CA MET A 69 33.049 -4.268 1.624 1.00 6.85 C ATOM 282 C MET A 69 32.365 -3.478 2.734 1.00 4.57 C ATOM 283 O MET A 69 33.022 -2.944 3.628 1.00 4.49 O ATOM 284 CB MET A 69 33.214 -3.391 0.381 1.00 6.60 C ATOM 285 CG MET A 69 33.896 -2.061 0.660 1.00 5.70 C ATOM 286 SD MET A 69 33.987 -1.009 -0.802 1.00 7.01 S ATOM 287 CE MET A 69 32.288 -1.063 -1.366 1.00 7.62 C ATOM 0 H MET A 69 31.862 -5.454 0.369 1.00 8.24 H new ATOM 0 HA MET A 69 34.034 -4.576 1.974 1.00 6.85 H new ATOM 0 HB2 MET A 69 33.792 -3.937 -0.364 1.00 6.60 H new ATOM 0 HB3 MET A 69 32.232 -3.202 -0.053 1.00 6.60 H new ATOM 0 HG2 MET A 69 33.354 -1.537 1.447 1.00 5.70 H new ATOM 0 HG3 MET A 69 34.903 -2.245 1.034 1.00 5.70 H new ATOM 0 HE1 MET A 69 32.075 -0.177 -1.964 1.00 7.62 H new ATOM 0 HE2 MET A 69 32.134 -1.955 -1.973 1.00 7.62 H new ATOM 0 HE3 MET A 69 31.620 -1.090 -0.505 1.00 7.62 H new ATOM 297 N VAL A 70 31.038 -3.411 2.671 1.00 3.82 N ATOM 298 CA VAL A 70 30.260 -2.690 3.668 1.00 2.90 C ATOM 299 C VAL A 70 30.260 -3.432 5.001 1.00 4.80 C ATOM 300 O VAL A 70 30.403 -2.822 6.058 1.00 5.39 O ATOM 301 CB VAL A 70 28.806 -2.476 3.200 1.00 3.53 C ATOM 302 CG1 VAL A 70 27.977 -1.791 4.279 1.00 3.27 C ATOM 303 CG2 VAL A 70 28.782 -1.669 1.913 1.00 3.73 C ATOM 0 H VAL A 70 30.480 -3.849 1.938 1.00 3.82 H new ATOM 0 HA VAL A 70 30.732 -1.716 3.800 1.00 2.90 H new ATOM 0 HB VAL A 70 28.362 -3.453 3.009 1.00 3.53 H new ATOM 0 HG11 VAL A 70 26.957 -1.653 3.921 1.00 3.27 H new ATOM 0 HG12 VAL A 70 27.966 -2.409 5.177 1.00 3.27 H new ATOM 0 HG13 VAL A 70 28.414 -0.820 4.512 1.00 3.27 H new ATOM 0 HG21 VAL A 70 27.750 -1.525 1.593 1.00 3.73 H new ATOM 0 HG22 VAL A 70 29.248 -0.698 2.083 1.00 3.73 H new ATOM 0 HG23 VAL A 70 29.331 -2.204 1.138 1.00 3.73 H new ATOM 313 N PHE A 71 30.101 -4.750 4.945 1.00 6.61 N ATOM 314 CA PHE A 71 30.089 -5.563 6.156 1.00 8.97 C ATOM 315 C PHE A 71 31.314 -5.260 7.014 1.00 8.81 C ATOM 316 O PHE A 71 31.192 -4.781 8.140 1.00 10.10 O ATOM 317 CB PHE A 71 30.045 -7.053 5.805 1.00 11.10 C ATOM 318 CG PHE A 71 30.246 -7.955 6.992 1.00 12.35 C ATOM 319 CD1 PHE A 71 29.160 -8.338 7.790 1.00 12.29 C ATOM 320 CD2 PHE A 71 31.527 -8.419 7.324 1.00 13.87 C ATOM 321 CE1 PHE A 71 29.347 -9.169 8.899 1.00 13.62 C ATOM 322 CE2 PHE A 71 31.720 -9.249 8.430 1.00 15.43 C ATOM 323 CZ PHE A 71 30.629 -9.624 9.219 1.00 15.27 C ATOM 0 H PHE A 71 29.979 -5.276 4.079 1.00 6.61 H new ATOM 0 HA PHE A 71 29.193 -5.315 6.725 1.00 8.97 H new ATOM 0 HB2 PHE A 71 29.084 -7.281 5.344 1.00 11.10 H new ATOM 0 HB3 PHE A 71 30.814 -7.266 5.062 1.00 11.10 H new ATOM 0 HD1 PHE A 71 28.168 -7.988 7.546 1.00 12.29 H new ATOM 0 HD2 PHE A 71 32.373 -8.131 6.718 1.00 13.87 H new ATOM 0 HE1 PHE A 71 28.503 -9.459 9.507 1.00 13.62 H new ATOM 0 HE2 PHE A 71 32.711 -9.601 8.676 1.00 15.43 H new ATOM 0 HZ PHE A 71 30.777 -10.265 10.076 1.00 15.27 H new ATOM 333 N ASP A 72 32.496 -5.542 6.472 1.00 7.68 N ATOM 334 CA ASP A 72 33.741 -5.296 7.189 1.00 7.55 C ATOM 335 C ASP A 72 33.783 -3.866 7.718 1.00 6.90 C ATOM 336 O ASP A 72 34.179 -3.626 8.859 1.00 6.97 O ATOM 337 CB ASP A 72 34.941 -5.554 6.276 1.00 6.32 C ATOM 338 CG ASP A 72 36.156 -6.037 7.043 1.00 7.34 C ATOM 339 OD1 ASP A 72 36.838 -5.196 7.666 1.00 7.58 O ATOM 340 OD2 ASP A 72 36.428 -7.256 7.018 1.00 8.27 O ATOM 0 H ASP A 72 32.616 -5.940 5.541 1.00 7.68 H new ATOM 0 HA ASP A 72 33.789 -5.981 8.036 1.00 7.55 H new ATOM 0 HB2 ASP A 72 34.670 -6.296 5.525 1.00 6.32 H new ATOM 0 HB3 ASP A 72 35.192 -4.637 5.742 1.00 6.32 H new ATOM 345 N THR A 73 33.367 -2.919 6.882 1.00 7.35 N ATOM 346 CA THR A 73 33.351 -1.515 7.269 1.00 8.27 C ATOM 347 C THR A 73 32.325 -1.279 8.372 1.00 11.27 C ATOM 348 O THR A 73 32.681 -1.034 9.525 1.00 12.78 O ATOM 349 CB THR A 73 33.039 -0.632 6.054 1.00 7.39 C ATOM 350 OG1 THR A 73 34.125 -0.633 5.145 1.00 7.47 O ATOM 351 CG2 THR A 73 32.740 0.812 6.407 1.00 8.01 C ATOM 0 H THR A 73 33.037 -3.100 5.934 1.00 7.35 H new ATOM 0 HA THR A 73 34.337 -1.249 7.650 1.00 8.27 H new ATOM 0 HB THR A 73 32.144 -1.068 5.610 1.00 7.39 H new ATOM 0 HG1 THR A 73 34.070 0.157 4.568 1.00 7.47 H new ATOM 0 HG21 THR A 73 32.529 1.373 5.497 1.00 8.01 H new ATOM 0 HG22 THR A 73 31.874 0.853 7.067 1.00 8.01 H new ATOM 0 HG23 THR A 73 33.602 1.249 6.911 1.00 8.01 H new ATOM 359 N LEU A 74 31.047 -1.357 8.010 1.00 12.34 N ATOM 360 CA LEU A 74 29.964 -1.155 8.966 1.00 15.24 C ATOM 361 C LEU A 74 30.194 -1.973 10.232 1.00 16.71 C ATOM 362 O LEU A 74 29.879 -1.529 11.336 1.00 18.96 O ATOM 363 CB LEU A 74 28.624 -1.530 8.334 1.00 16.15 C ATOM 364 CG LEU A 74 28.112 -0.549 7.278 1.00 16.09 C ATOM 365 CD1 LEU A 74 26.653 -0.825 6.957 1.00 18.33 C ATOM 366 CD2 LEU A 74 28.294 0.887 7.752 1.00 16.23 C ATOM 0 H LEU A 74 30.737 -1.559 7.060 1.00 12.34 H new ATOM 0 HA LEU A 74 29.945 -0.100 9.240 1.00 15.24 H new ATOM 0 HB2 LEU A 74 28.717 -2.516 7.878 1.00 16.15 H new ATOM 0 HB3 LEU A 74 27.877 -1.613 9.124 1.00 16.15 H new ATOM 0 HG LEU A 74 28.695 -0.687 6.368 1.00 16.09 H new ATOM 0 HD11 LEU A 74 26.306 -0.117 6.204 1.00 18.33 H new ATOM 0 HD12 LEU A 74 26.550 -1.841 6.575 1.00 18.33 H new ATOM 0 HD13 LEU A 74 26.054 -0.715 7.861 1.00 18.33 H new ATOM 0 HD21 LEU A 74 27.925 1.572 6.989 1.00 16.23 H new ATOM 0 HD22 LEU A 74 27.736 1.039 8.676 1.00 16.23 H new ATOM 0 HD23 LEU A 74 29.352 1.080 7.931 1.00 16.23 H new ATOM 378 N LYS A 75 30.753 -3.166 10.065 1.00 15.75 N ATOM 379 CA LYS A 75 31.034 -4.040 11.196 1.00 17.53 C ATOM 380 C LYS A 75 31.926 -3.326 12.203 1.00 17.14 C ATOM 381 O LYS A 75 31.509 -3.030 13.323 1.00 18.82 O ATOM 382 CB LYS A 75 31.715 -5.324 10.720 1.00 17.48 C ATOM 383 CG LYS A 75 32.080 -6.277 11.847 1.00 17.48 C ATOM 384 CD LYS A 75 31.463 -7.651 11.637 1.00 18.68 C ATOM 385 CE LYS A 75 32.502 -8.752 11.769 1.00 20.70 C ATOM 386 NZ LYS A 75 32.003 -9.891 12.588 1.00 22.64 N ATOM 0 H LYS A 75 31.020 -3.549 9.158 1.00 15.75 H new ATOM 0 HA LYS A 75 30.090 -4.298 11.676 1.00 17.53 H new ATOM 0 HB2 LYS A 75 31.054 -5.838 10.022 1.00 17.48 H new ATOM 0 HB3 LYS A 75 32.619 -5.063 10.170 1.00 17.48 H new ATOM 0 HG2 LYS A 75 33.164 -6.370 11.910 1.00 17.48 H new ATOM 0 HG3 LYS A 75 31.740 -5.866 12.797 1.00 17.48 H new ATOM 0 HD2 LYS A 75 30.668 -7.810 12.366 1.00 18.68 H new ATOM 0 HD3 LYS A 75 31.004 -7.698 10.649 1.00 18.68 H new ATOM 0 HE2 LYS A 75 32.778 -9.111 10.778 1.00 20.70 H new ATOM 0 HE3 LYS A 75 33.405 -8.346 12.224 1.00 20.70 H new ATOM 0 HZ1 LYS A 75 32.547 -10.747 12.360 1.00 22.64 H new ATOM 0 HZ2 LYS A 75 32.115 -9.668 13.598 1.00 22.64 H new ATOM 0 HZ3 LYS A 75 30.997 -10.054 12.379 1.00 22.64 H new ATOM 400 N ASP A 76 33.156 -3.049 11.788 1.00 14.93 N ATOM 401 CA ASP A 76 34.116 -2.364 12.643 1.00 14.32 C ATOM 402 C ASP A 76 33.654 -0.943 12.952 1.00 14.83 C ATOM 403 O ASP A 76 33.984 -0.388 14.000 1.00 15.50 O ATOM 404 CB ASP A 76 35.492 -2.331 11.976 1.00 11.62 C ATOM 405 CG ASP A 76 36.619 -2.581 12.960 1.00 11.24 C ATOM 406 OD1 ASP A 76 36.534 -3.568 13.720 1.00 11.29 O ATOM 407 OD2 ASP A 76 37.585 -1.790 12.970 1.00 11.28 O ATOM 0 H ASP A 76 33.512 -3.289 10.863 1.00 14.93 H new ATOM 0 HA ASP A 76 34.187 -2.915 13.581 1.00 14.32 H new ATOM 0 HB2 ASP A 76 35.528 -3.083 11.188 1.00 11.62 H new ATOM 0 HB3 ASP A 76 35.638 -1.362 11.499 1.00 11.62 H new ATOM 412 N LEU A 77 32.888 -0.360 12.034 1.00 14.87 N ATOM 413 CA LEU A 77 32.380 0.995 12.210 1.00 16.13 C ATOM 414 C LEU A 77 31.380 1.047 13.363 1.00 18.52 C ATOM 415 O LEU A 77 31.563 1.794 14.323 1.00 19.40 O ATOM 416 CB LEU A 77 31.735 1.485 10.907 1.00 16.77 C ATOM 417 CG LEU A 77 30.728 2.632 11.046 1.00 18.71 C ATOM 418 CD1 LEU A 77 31.234 3.676 12.027 1.00 18.49 C ATOM 419 CD2 LEU A 77 30.449 3.260 9.689 1.00 19.41 C ATOM 0 H LEU A 77 32.606 -0.806 11.161 1.00 14.87 H new ATOM 0 HA LEU A 77 33.212 1.655 12.456 1.00 16.13 H new ATOM 0 HB2 LEU A 77 32.528 1.804 10.230 1.00 16.77 H new ATOM 0 HB3 LEU A 77 31.232 0.641 10.434 1.00 16.77 H new ATOM 0 HG LEU A 77 29.795 2.225 11.436 1.00 18.71 H new ATOM 0 HD11 LEU A 77 30.504 4.481 12.110 1.00 18.49 H new ATOM 0 HD12 LEU A 77 31.380 3.216 13.004 1.00 18.49 H new ATOM 0 HD13 LEU A 77 32.181 4.081 11.671 1.00 18.49 H new ATOM 0 HD21 LEU A 77 29.732 4.073 9.805 1.00 19.41 H new ATOM 0 HD22 LEU A 77 31.377 3.651 9.271 1.00 19.41 H new ATOM 0 HD23 LEU A 77 30.038 2.507 9.017 1.00 19.41 H new ATOM 431 N TYR A 78 30.326 0.245 13.262 1.00 19.73 N ATOM 432 CA TYR A 78 29.302 0.199 14.298 1.00 22.17 C ATOM 433 C TYR A 78 29.899 -0.258 15.624 1.00 23.85 C ATOM 434 O TYR A 78 29.380 0.064 16.693 1.00 25.94 O ATOM 435 CB TYR A 78 28.168 -0.739 13.884 1.00 22.52 C ATOM 436 CG TYR A 78 27.417 -0.280 12.654 1.00 22.77 C ATOM 437 CD1 TYR A 78 27.270 1.089 12.368 1.00 21.76 C ATOM 438 CD2 TYR A 78 26.850 -1.210 11.766 1.00 24.17 C ATOM 439 CE1 TYR A 78 26.578 1.517 11.232 1.00 22.19 C ATOM 440 CE2 TYR A 78 26.156 -0.789 10.627 1.00 24.62 C ATOM 441 CZ TYR A 78 26.023 0.574 10.366 1.00 23.64 C ATOM 442 OH TYR A 78 25.342 0.993 9.246 1.00 24.26 O ATOM 0 H TYR A 78 30.159 -0.381 12.474 1.00 19.73 H new ATOM 0 HA TYR A 78 28.900 1.204 14.425 1.00 22.17 H new ATOM 0 HB2 TYR A 78 28.579 -1.731 13.699 1.00 22.52 H new ATOM 0 HB3 TYR A 78 27.466 -0.834 14.713 1.00 22.52 H new ATOM 0 HD1 TYR A 78 27.699 1.821 13.037 1.00 21.76 H new ATOM 0 HD2 TYR A 78 26.952 -2.266 11.966 1.00 24.17 H new ATOM 0 HE1 TYR A 78 26.473 2.572 11.025 1.00 22.19 H new ATOM 0 HE2 TYR A 78 25.726 -1.516 9.954 1.00 24.62 H new ATOM 0 HH TYR A 78 24.462 1.336 9.507 1.00 24.26 H new ATOM 452 N LYS A 79 30.994 -1.008 15.548 1.00 22.99 N ATOM 453 CA LYS A 79 31.663 -1.504 16.743 1.00 24.46 C ATOM 454 C LYS A 79 32.359 -0.366 17.483 1.00 25.69 C ATOM 455 O LYS A 79 32.500 -0.401 18.706 1.00 27.17 O ATOM 456 CB LYS A 79 32.679 -2.586 16.374 1.00 23.64 C ATOM 457 CG LYS A 79 32.062 -3.964 16.193 1.00 23.40 C ATOM 458 CD LYS A 79 32.158 -4.788 17.467 1.00 25.30 C ATOM 459 CE LYS A 79 32.426 -6.253 17.163 1.00 25.25 C ATOM 460 NZ LYS A 79 32.942 -6.983 18.355 1.00 27.05 N ATOM 0 H LYS A 79 31.436 -1.285 14.671 1.00 22.99 H new ATOM 0 HA LYS A 79 30.909 -1.936 17.401 1.00 24.46 H new ATOM 0 HB2 LYS A 79 33.184 -2.299 15.452 1.00 23.64 H new ATOM 0 HB3 LYS A 79 33.441 -2.638 17.152 1.00 23.64 H new ATOM 0 HG2 LYS A 79 31.016 -3.861 15.903 1.00 23.40 H new ATOM 0 HG3 LYS A 79 32.568 -4.487 15.381 1.00 23.40 H new ATOM 0 HD2 LYS A 79 32.955 -4.394 18.097 1.00 25.30 H new ATOM 0 HD3 LYS A 79 31.230 -4.696 18.032 1.00 25.30 H new ATOM 0 HE2 LYS A 79 31.507 -6.726 16.818 1.00 25.25 H new ATOM 0 HE3 LYS A 79 33.148 -6.329 16.350 1.00 25.25 H new ATOM 0 HZ1 LYS A 79 33.112 -7.978 18.106 1.00 27.05 H new ATOM 0 HZ2 LYS A 79 33.833 -6.548 18.670 1.00 27.05 H new ATOM 0 HZ3 LYS A 79 32.242 -6.933 19.123 1.00 27.05 H new ATOM 474 N LYS A 80 32.793 0.642 16.732 1.00 25.22 N ATOM 475 CA LYS A 80 33.473 1.791 17.314 1.00 26.28 C ATOM 476 C LYS A 80 32.499 2.660 18.104 1.00 28.41 C ATOM 477 O LYS A 80 32.853 3.219 19.142 1.00 29.99 O ATOM 478 CB LYS A 80 34.143 2.621 16.218 1.00 24.64 C ATOM 479 CG LYS A 80 35.491 3.192 16.628 1.00 22.45 C ATOM 480 CD LYS A 80 35.343 4.560 17.276 1.00 22.36 C ATOM 481 CE LYS A 80 35.649 5.678 16.293 1.00 20.70 C ATOM 482 NZ LYS A 80 35.239 7.009 16.820 1.00 22.26 N ATOM 0 H LYS A 80 32.685 0.685 15.719 1.00 25.22 H new ATOM 0 HA LYS A 80 34.236 1.421 17.999 1.00 26.28 H new ATOM 0 HB2 LYS A 80 34.275 2.000 15.332 1.00 24.64 H new ATOM 0 HB3 LYS A 80 33.481 3.440 15.937 1.00 24.64 H new ATOM 0 HG2 LYS A 80 35.980 2.510 17.323 1.00 22.45 H new ATOM 0 HG3 LYS A 80 36.135 3.271 15.752 1.00 22.45 H new ATOM 0 HD2 LYS A 80 34.328 4.676 17.656 1.00 22.36 H new ATOM 0 HD3 LYS A 80 36.014 4.633 18.132 1.00 22.36 H new ATOM 0 HE2 LYS A 80 36.717 5.687 16.075 1.00 20.70 H new ATOM 0 HE3 LYS A 80 35.133 5.485 15.352 1.00 20.70 H new ATOM 0 HZ1 LYS A 80 35.465 7.744 16.120 1.00 22.26 H new ATOM 0 HZ2 LYS A 80 34.215 7.009 17.004 1.00 22.26 H new ATOM 0 HZ3 LYS A 80 35.750 7.205 17.704 1.00 22.26 H new ATOM 496 N THR A 81 31.273 2.768 17.605 1.00 28.62 N ATOM 497 CA THR A 81 30.248 3.569 18.266 1.00 30.78 C ATOM 498 C THR A 81 30.034 3.101 19.699 1.00 33.20 C ATOM 499 O THR A 81 30.520 3.719 20.646 1.00 33.82 O ATOM 500 CB THR A 81 28.932 3.495 17.491 1.00 31.18 C ATOM 501 OG1 THR A 81 28.973 2.454 16.531 1.00 29.82 O ATOM 502 CG2 THR A 81 28.592 4.777 16.762 1.00 30.58 C ATOM 0 H THR A 81 30.964 2.312 16.746 1.00 28.62 H new ATOM 0 HA THR A 81 30.590 4.604 18.287 1.00 30.78 H new ATOM 0 HB THR A 81 28.165 3.310 18.243 1.00 31.18 H new ATOM 0 HG1 THR A 81 28.819 1.594 16.974 1.00 29.82 H new ATOM 0 HG21 THR A 81 27.647 4.655 16.233 1.00 30.58 H new ATOM 0 HG22 THR A 81 28.503 5.592 17.481 1.00 30.58 H new ATOM 0 HG23 THR A 81 29.381 5.009 16.046 1.00 30.58 H new ATOM 566 N ASP B 54 24.961 -5.905 18.547 1.00 33.53 N ATOM 567 CA ASP B 54 24.062 -5.347 17.545 1.00 30.74 C ATOM 568 C ASP B 54 24.849 -4.791 16.362 1.00 30.27 C ATOM 569 O ASP B 54 24.353 -4.751 15.237 1.00 29.34 O ATOM 570 CB ASP B 54 23.197 -4.245 18.163 1.00 30.01 C ATOM 571 CG ASP B 54 21.733 -4.631 18.234 1.00 27.48 C ATOM 572 OD1 ASP B 54 21.442 -5.798 18.569 1.00 27.00 O ATOM 573 OD2 ASP B 54 20.877 -3.765 17.956 1.00 25.99 O ATOM 0 HA ASP B 54 23.415 -6.147 17.185 1.00 30.74 H new ATOM 0 HB2 ASP B 54 23.560 -4.022 19.166 1.00 30.01 H new ATOM 0 HB3 ASP B 54 23.301 -3.333 17.576 1.00 30.01 H new ATOM 578 N ALA B 55 26.079 -4.362 16.628 1.00 30.99 N ATOM 579 CA ALA B 55 26.935 -3.811 15.587 1.00 30.68 C ATOM 580 C ALA B 55 27.104 -4.797 14.438 1.00 28.78 C ATOM 581 O ALA B 55 27.102 -4.410 13.269 1.00 27.41 O ATOM 582 CB ALA B 55 28.291 -3.434 16.166 1.00 32.99 C ATOM 0 H ALA B 55 26.503 -4.386 17.555 1.00 30.99 H new ATOM 0 HA ALA B 55 26.457 -2.914 15.193 1.00 30.68 H new ATOM 0 HB1 ALA B 55 28.922 -3.023 15.378 1.00 32.99 H new ATOM 0 HB2 ALA B 55 28.157 -2.688 16.949 1.00 32.99 H new ATOM 0 HB3 ALA B 55 28.766 -4.320 16.586 1.00 32.99 H new ATOM 588 N GLU B 56 27.249 -6.074 14.777 1.00 28.88 N ATOM 589 CA GLU B 56 27.417 -7.117 13.772 1.00 27.38 C ATOM 590 C GLU B 56 26.133 -7.311 12.974 1.00 24.96 C ATOM 591 O GLU B 56 26.165 -7.459 11.753 1.00 24.89 O ATOM 592 CB GLU B 56 27.827 -8.435 14.434 1.00 28.55 C ATOM 593 CG GLU B 56 29.208 -8.916 14.024 1.00 30.39 C ATOM 594 CD GLU B 56 29.557 -10.264 14.623 1.00 30.59 C ATOM 595 OE1 GLU B 56 29.358 -10.440 15.844 1.00 30.90 O ATOM 596 OE2 GLU B 56 30.027 -11.145 13.873 1.00 30.56 O ATOM 0 H GLU B 56 27.254 -6.411 15.740 1.00 28.88 H new ATOM 0 HA GLU B 56 28.206 -6.805 13.088 1.00 27.38 H new ATOM 0 HB2 GLU B 56 27.801 -8.312 15.517 1.00 28.55 H new ATOM 0 HB3 GLU B 56 27.094 -9.202 14.182 1.00 28.55 H new ATOM 0 HG2 GLU B 56 29.258 -8.982 12.937 1.00 30.39 H new ATOM 0 HG3 GLU B 56 29.951 -8.181 14.334 1.00 30.39 H new ATOM 603 N ARG B 57 25.003 -7.310 13.673 1.00 23.12 N ATOM 604 CA ARG B 57 23.707 -7.484 13.028 1.00 20.70 C ATOM 605 C ARG B 57 23.427 -6.339 12.060 1.00 18.64 C ATOM 606 O ARG B 57 22.798 -6.531 11.019 1.00 17.54 O ATOM 607 CB ARG B 57 22.596 -7.564 14.078 1.00 19.87 C ATOM 608 CG ARG B 57 22.802 -8.675 15.096 1.00 21.61 C ATOM 609 CD ARG B 57 21.531 -9.482 15.303 1.00 20.74 C ATOM 610 NE ARG B 57 20.439 -8.662 15.821 1.00 21.55 N ATOM 611 CZ ARG B 57 19.209 -9.121 16.031 1.00 21.73 C ATOM 612 NH1 ARG B 57 18.918 -10.387 15.765 1.00 21.21 N ATOM 613 NH2 ARG B 57 18.270 -8.315 16.505 1.00 22.76 N ATOM 0 H ARG B 57 24.958 -7.191 14.685 1.00 23.12 H new ATOM 0 HA ARG B 57 23.730 -8.417 12.465 1.00 20.70 H new ATOM 0 HB2 ARG B 57 22.532 -6.610 14.601 1.00 19.87 H new ATOM 0 HB3 ARG B 57 21.641 -7.716 13.574 1.00 19.87 H new ATOM 0 HG2 ARG B 57 23.602 -9.334 14.760 1.00 21.61 H new ATOM 0 HG3 ARG B 57 23.120 -8.245 16.046 1.00 21.61 H new ATOM 0 HD2 ARG B 57 21.229 -9.932 14.357 1.00 20.74 H new ATOM 0 HD3 ARG B 57 21.730 -10.300 15.996 1.00 20.74 H new ATOM 0 HE ARG B 57 20.631 -7.683 16.033 1.00 21.55 H new ATOM 0 HH11 ARG B 57 19.638 -11.010 15.399 1.00 21.21 H new ATOM 0 HH12 ARG B 57 17.974 -10.738 15.926 1.00 21.21 H new ATOM 0 HH21 ARG B 57 18.490 -7.340 16.709 1.00 22.76 H new ATOM 0 HH22 ARG B 57 17.327 -8.669 16.665 1.00 22.76 H new ATOM 627 N LEU B 58 23.901 -5.147 12.411 1.00 18.29 N ATOM 628 CA LEU B 58 23.704 -3.969 11.573 1.00 16.38 C ATOM 629 C LEU B 58 24.554 -4.056 10.312 1.00 16.26 C ATOM 630 O LEU B 58 24.054 -3.890 9.200 1.00 15.47 O ATOM 631 CB LEU B 58 24.057 -2.701 12.352 1.00 15.64 C ATOM 632 CG LEU B 58 23.138 -2.390 13.534 1.00 15.58 C ATOM 633 CD1 LEU B 58 23.706 -1.251 14.366 1.00 16.12 C ATOM 634 CD2 LEU B 58 21.740 -2.050 13.044 1.00 13.61 C ATOM 0 H LEU B 58 24.424 -4.972 13.269 1.00 18.29 H new ATOM 0 HA LEU B 58 22.654 -3.929 11.282 1.00 16.38 H new ATOM 0 HB2 LEU B 58 25.079 -2.792 12.720 1.00 15.64 H new ATOM 0 HB3 LEU B 58 24.040 -1.855 11.665 1.00 15.64 H new ATOM 0 HG LEU B 58 23.075 -3.276 14.165 1.00 15.58 H new ATOM 0 HD11 LEU B 58 23.039 -1.044 15.203 1.00 16.12 H new ATOM 0 HD12 LEU B 58 24.688 -1.533 14.746 1.00 16.12 H new ATOM 0 HD13 LEU B 58 23.799 -0.359 13.746 1.00 16.12 H new ATOM 0 HD21 LEU B 58 21.098 -1.831 13.898 1.00 13.61 H new ATOM 0 HD22 LEU B 58 21.785 -1.178 12.391 1.00 13.61 H new ATOM 0 HD23 LEU B 58 21.332 -2.896 12.491 1.00 13.61 H new ATOM 646 N ALA B 59 25.841 -4.317 10.496 1.00 17.14 N ATOM 647 CA ALA B 59 26.768 -4.428 9.378 1.00 17.29 C ATOM 648 C ALA B 59 26.238 -5.388 8.319 1.00 18.20 C ATOM 649 O ALA B 59 26.496 -5.218 7.129 1.00 18.88 O ATOM 650 CB ALA B 59 28.134 -4.882 9.869 1.00 17.72 C ATOM 0 H ALA B 59 26.268 -4.456 11.412 1.00 17.14 H new ATOM 0 HA ALA B 59 26.867 -3.444 8.921 1.00 17.29 H new ATOM 0 HB1 ALA B 59 28.817 -4.961 9.023 1.00 17.72 H new ATOM 0 HB2 ALA B 59 28.523 -4.157 10.583 1.00 17.72 H new ATOM 0 HB3 ALA B 59 28.042 -5.854 10.353 1.00 17.72 H new ATOM 656 N ASP B 60 25.495 -6.399 8.762 1.00 18.51 N ATOM 657 CA ASP B 60 24.931 -7.387 7.850 1.00 19.69 C ATOM 658 C ASP B 60 23.651 -6.865 7.205 1.00 18.13 C ATOM 659 O ASP B 60 23.505 -6.890 5.983 1.00 18.59 O ATOM 660 CB ASP B 60 24.645 -8.692 8.594 1.00 21.57 C ATOM 661 CG ASP B 60 24.124 -9.779 7.674 1.00 22.01 C ATOM 662 OD1 ASP B 60 23.733 -9.454 6.533 1.00 21.70 O ATOM 663 OD2 ASP B 60 24.106 -10.955 8.094 1.00 22.87 O ATOM 0 H ASP B 60 25.271 -6.554 9.745 1.00 18.51 H new ATOM 0 HA ASP B 60 25.661 -7.577 7.063 1.00 19.69 H new ATOM 0 HB2 ASP B 60 25.557 -9.038 9.080 1.00 21.57 H new ATOM 0 HB3 ASP B 60 23.915 -8.506 9.382 1.00 21.57 H new ATOM 668 N GLU B 61 22.727 -6.394 8.034 1.00 16.49 N ATOM 669 CA GLU B 61 21.459 -5.866 7.544 1.00 15.27 C ATOM 670 C GLU B 61 21.691 -4.697 6.592 1.00 13.55 C ATOM 671 O GLU B 61 21.028 -4.583 5.561 1.00 13.26 O ATOM 672 CB GLU B 61 20.582 -5.423 8.715 1.00 14.69 C ATOM 673 CG GLU B 61 19.308 -4.713 8.288 1.00 12.31 C ATOM 674 CD GLU B 61 18.366 -5.617 7.518 1.00 12.66 C ATOM 675 OE1 GLU B 61 17.581 -6.343 8.162 1.00 12.75 O ATOM 676 OE2 GLU B 61 18.415 -5.599 6.270 1.00 13.24 O ATOM 0 H GLU B 61 22.832 -6.367 9.048 1.00 16.49 H new ATOM 0 HA GLU B 61 20.947 -6.659 6.998 1.00 15.27 H new ATOM 0 HB2 GLU B 61 20.318 -6.297 9.311 1.00 14.69 H new ATOM 0 HB3 GLU B 61 21.159 -4.760 9.359 1.00 14.69 H new ATOM 0 HG2 GLU B 61 18.797 -4.330 9.171 1.00 12.31 H new ATOM 0 HG3 GLU B 61 19.566 -3.853 7.670 1.00 12.31 H new ATOM 683 N GLN B 62 22.634 -3.831 6.945 1.00 12.69 N ATOM 684 CA GLN B 62 22.953 -2.670 6.124 1.00 11.66 C ATOM 685 C GLN B 62 23.716 -3.078 4.867 1.00 10.65 C ATOM 686 O GLN B 62 23.450 -2.569 3.778 1.00 10.18 O ATOM 687 CB GLN B 62 23.777 -1.664 6.930 1.00 12.26 C ATOM 688 CG GLN B 62 22.938 -0.742 7.802 1.00 13.74 C ATOM 689 CD GLN B 62 21.801 -1.457 8.506 1.00 14.29 C ATOM 690 OE1 GLN B 62 21.000 -2.147 7.877 1.00 14.22 O ATOM 691 NE2 GLN B 62 21.724 -1.290 9.821 1.00 15.22 N ATOM 0 H GLN B 62 23.191 -3.912 7.795 1.00 12.69 H new ATOM 0 HA GLN B 62 22.015 -2.205 5.819 1.00 11.66 H new ATOM 0 HB2 GLN B 62 24.479 -2.207 7.562 1.00 12.26 H new ATOM 0 HB3 GLN B 62 24.369 -1.060 6.243 1.00 12.26 H new ATOM 0 HG2 GLN B 62 23.581 -0.273 8.547 1.00 13.74 H new ATOM 0 HG3 GLN B 62 22.529 0.058 7.185 1.00 13.74 H new ATOM 0 HE21 GLN B 62 22.410 -0.709 10.302 1.00 15.22 H new ATOM 0 HE22 GLN B 62 20.979 -1.743 10.350 1.00 15.22 H new ATOM 700 N SER B 63 24.665 -3.996 5.023 1.00 10.83 N ATOM 701 CA SER B 63 25.461 -4.466 3.895 1.00 10.59 C ATOM 702 C SER B 63 24.594 -5.219 2.892 1.00 8.48 C ATOM 703 O SER B 63 24.553 -4.875 1.712 1.00 7.43 O ATOM 704 CB SER B 63 26.599 -5.366 4.380 1.00 12.94 C ATOM 705 OG SER B 63 26.095 -6.542 4.989 1.00 12.83 O ATOM 0 H SER B 63 24.901 -4.428 5.917 1.00 10.83 H new ATOM 0 HA SER B 63 25.886 -3.594 3.398 1.00 10.59 H new ATOM 0 HB2 SER B 63 27.239 -5.634 3.539 1.00 12.94 H new ATOM 0 HB3 SER B 63 27.219 -4.821 5.092 1.00 12.94 H new ATOM 0 HG SER B 63 26.358 -6.560 5.933 1.00 12.83 H new ATOM 711 N GLU B 64 23.900 -6.249 3.370 1.00 8.25 N ATOM 712 CA GLU B 64 23.033 -7.047 2.515 1.00 6.35 C ATOM 713 C GLU B 64 22.097 -6.150 1.708 1.00 4.44 C ATOM 714 O GLU B 64 21.805 -6.427 0.544 1.00 4.27 O ATOM 715 CB GLU B 64 22.228 -8.041 3.358 1.00 6.80 C ATOM 716 CG GLU B 64 21.051 -7.419 4.096 1.00 7.79 C ATOM 717 CD GLU B 64 20.141 -8.457 4.721 1.00 8.69 C ATOM 718 OE1 GLU B 64 20.658 -9.490 5.196 1.00 9.47 O ATOM 719 OE2 GLU B 64 18.911 -8.238 4.734 1.00 8.66 O ATOM 0 H GLU B 64 23.923 -6.548 4.345 1.00 8.25 H new ATOM 0 HA GLU B 64 23.656 -7.605 1.816 1.00 6.35 H new ATOM 0 HB2 GLU B 64 21.858 -8.835 2.709 1.00 6.80 H new ATOM 0 HB3 GLU B 64 22.893 -8.507 4.085 1.00 6.80 H new ATOM 0 HG2 GLU B 64 21.425 -6.754 4.874 1.00 7.79 H new ATOM 0 HG3 GLU B 64 20.475 -6.806 3.403 1.00 7.79 H new ATOM 726 N LEU B 65 21.636 -5.073 2.335 1.00 3.29 N ATOM 727 CA LEU B 65 20.741 -4.132 1.676 1.00 2.52 C ATOM 728 C LEU B 65 21.407 -3.534 0.443 1.00 2.71 C ATOM 729 O LEU B 65 20.792 -3.432 -0.619 1.00 3.69 O ATOM 730 CB LEU B 65 20.333 -3.019 2.643 1.00 2.49 C ATOM 731 CG LEU B 65 18.924 -2.465 2.434 1.00 4.04 C ATOM 732 CD1 LEU B 65 18.240 -2.226 3.771 1.00 5.50 C ATOM 733 CD2 LEU B 65 18.973 -1.180 1.621 1.00 4.10 C ATOM 0 H LEU B 65 21.868 -4.831 3.298 1.00 3.29 H new ATOM 0 HA LEU B 65 19.847 -4.672 1.362 1.00 2.52 H new ATOM 0 HB2 LEU B 65 20.411 -3.397 3.662 1.00 2.49 H new ATOM 0 HB3 LEU B 65 21.046 -2.200 2.552 1.00 2.49 H new ATOM 0 HG LEU B 65 18.343 -3.202 1.879 1.00 4.04 H new ATOM 0 HD11 LEU B 65 17.238 -1.832 3.602 1.00 5.50 H new ATOM 0 HD12 LEU B 65 18.172 -3.166 4.318 1.00 5.50 H new ATOM 0 HD13 LEU B 65 18.819 -1.509 4.353 1.00 5.50 H new ATOM 0 HD21 LEU B 65 17.961 -0.799 1.481 1.00 4.10 H new ATOM 0 HD22 LEU B 65 19.571 -0.438 2.150 1.00 4.10 H new ATOM 0 HD23 LEU B 65 19.422 -1.382 0.649 1.00 4.10 H new ATOM 745 N VAL B 66 22.671 -3.144 0.587 1.00 2.47 N ATOM 746 CA VAL B 66 23.421 -2.564 -0.518 1.00 2.86 C ATOM 747 C VAL B 66 23.433 -3.505 -1.716 1.00 4.32 C ATOM 748 O VAL B 66 23.448 -3.065 -2.866 1.00 5.09 O ATOM 749 CB VAL B 66 24.872 -2.251 -0.111 1.00 5.23 C ATOM 750 CG1 VAL B 66 25.623 -1.602 -1.264 1.00 5.93 C ATOM 751 CG2 VAL B 66 24.904 -1.361 1.122 1.00 6.57 C ATOM 0 H VAL B 66 23.195 -3.220 1.459 1.00 2.47 H new ATOM 0 HA VAL B 66 22.922 -1.633 -0.789 1.00 2.86 H new ATOM 0 HB VAL B 66 25.369 -3.189 0.135 1.00 5.23 H new ATOM 0 HG11 VAL B 66 26.647 -1.388 -0.957 1.00 5.93 H new ATOM 0 HG12 VAL B 66 25.634 -2.279 -2.118 1.00 5.93 H new ATOM 0 HG13 VAL B 66 25.127 -0.673 -1.544 1.00 5.93 H new ATOM 0 HG21 VAL B 66 25.939 -1.152 1.393 1.00 6.57 H new ATOM 0 HG22 VAL B 66 24.388 -0.425 0.908 1.00 6.57 H new ATOM 0 HG23 VAL B 66 24.408 -1.868 1.950 1.00 6.57 H new ATOM 761 N LYS B 67 23.426 -4.805 -1.438 1.00 5.74 N ATOM 762 CA LYS B 67 23.434 -5.814 -2.491 1.00 8.09 C ATOM 763 C LYS B 67 22.188 -5.699 -3.361 1.00 9.12 C ATOM 764 O LYS B 67 22.282 -5.577 -4.582 1.00 10.21 O ATOM 765 CB LYS B 67 23.519 -7.215 -1.883 1.00 10.48 C ATOM 766 CG LYS B 67 24.466 -8.145 -2.623 1.00 11.15 C ATOM 767 CD LYS B 67 24.650 -9.459 -1.880 1.00 13.77 C ATOM 768 CE LYS B 67 23.358 -10.257 -1.832 1.00 15.68 C ATOM 769 NZ LYS B 67 22.825 -10.368 -0.445 1.00 16.92 N ATOM 0 H LYS B 67 23.415 -5.185 -0.491 1.00 5.74 H new ATOM 0 HA LYS B 67 24.310 -5.644 -3.117 1.00 8.09 H new ATOM 0 HB2 LYS B 67 23.842 -7.132 -0.845 1.00 10.48 H new ATOM 0 HB3 LYS B 67 22.523 -7.658 -1.872 1.00 10.48 H new ATOM 0 HG2 LYS B 67 24.077 -8.342 -3.622 1.00 11.15 H new ATOM 0 HG3 LYS B 67 25.433 -7.658 -2.747 1.00 11.15 H new ATOM 0 HD2 LYS B 67 25.425 -10.049 -2.369 1.00 13.77 H new ATOM 0 HD3 LYS B 67 24.994 -9.259 -0.865 1.00 13.77 H new ATOM 0 HE2 LYS B 67 22.613 -9.781 -2.470 1.00 15.68 H new ATOM 0 HE3 LYS B 67 23.532 -11.255 -2.235 1.00 15.68 H new ATOM 0 HZ1 LYS B 67 21.943 -10.919 -0.455 1.00 16.92 H new ATOM 0 HZ2 LYS B 67 23.525 -10.845 0.159 1.00 16.92 H new ATOM 0 HZ3 LYS B 67 22.634 -9.417 -0.069 1.00 16.92 H new ATOM 783 N LYS B 68 21.021 -5.734 -2.727 1.00 9.41 N ATOM 784 CA LYS B 68 19.758 -5.628 -3.449 1.00 11.06 C ATOM 785 C LYS B 68 19.701 -4.330 -4.244 1.00 10.83 C ATOM 786 O LYS B 68 19.135 -4.282 -5.336 1.00 11.70 O ATOM 787 CB LYS B 68 18.581 -5.697 -2.475 1.00 10.93 C ATOM 788 CG LYS B 68 17.481 -6.649 -2.914 1.00 13.20 C ATOM 789 CD LYS B 68 16.295 -6.608 -1.963 1.00 14.84 C ATOM 790 CE LYS B 68 15.110 -7.381 -2.519 1.00 16.89 C ATOM 791 NZ LYS B 68 14.249 -7.932 -1.435 1.00 18.66 N ATOM 0 H LYS B 68 20.923 -5.835 -1.717 1.00 9.41 H new ATOM 0 HA LYS B 68 19.691 -6.465 -4.144 1.00 11.06 H new ATOM 0 HB2 LYS B 68 18.948 -6.006 -1.496 1.00 10.93 H new ATOM 0 HB3 LYS B 68 18.160 -4.699 -2.356 1.00 10.93 H new ATOM 0 HG2 LYS B 68 17.152 -6.387 -3.919 1.00 13.20 H new ATOM 0 HG3 LYS B 68 17.875 -7.664 -2.962 1.00 13.20 H new ATOM 0 HD2 LYS B 68 16.585 -7.027 -1.000 1.00 14.84 H new ATOM 0 HD3 LYS B 68 16.005 -5.572 -1.786 1.00 14.84 H new ATOM 0 HE2 LYS B 68 14.516 -6.726 -3.157 1.00 16.89 H new ATOM 0 HE3 LYS B 68 15.470 -8.196 -3.146 1.00 16.89 H new ATOM 0 HZ1 LYS B 68 13.452 -8.452 -1.855 1.00 18.66 H new ATOM 0 HZ2 LYS B 68 14.809 -8.577 -0.841 1.00 18.66 H new ATOM 0 HZ3 LYS B 68 13.884 -7.152 -0.851 1.00 18.66 H new ATOM 805 N MET B 69 20.298 -3.280 -3.689 1.00 10.26 N ATOM 806 CA MET B 69 20.321 -1.978 -4.344 1.00 10.93 C ATOM 807 C MET B 69 21.232 -2.004 -5.567 1.00 12.24 C ATOM 808 O MET B 69 20.839 -1.587 -6.656 1.00 12.94 O ATOM 809 CB MET B 69 20.792 -0.902 -3.366 1.00 9.07 C ATOM 810 CG MET B 69 20.655 0.513 -3.901 1.00 9.93 C ATOM 811 SD MET B 69 21.613 1.708 -2.951 1.00 9.88 S ATOM 812 CE MET B 69 23.234 0.947 -2.991 1.00 8.35 C ATOM 0 H MET B 69 20.773 -3.306 -2.786 1.00 10.26 H new ATOM 0 HA MET B 69 19.308 -1.743 -4.671 1.00 10.93 H new ATOM 0 HB2 MET B 69 20.220 -0.988 -2.442 1.00 9.07 H new ATOM 0 HB3 MET B 69 21.836 -1.086 -3.113 1.00 9.07 H new ATOM 0 HG2 MET B 69 20.979 0.537 -4.941 1.00 9.93 H new ATOM 0 HG3 MET B 69 19.604 0.802 -3.888 1.00 9.93 H new ATOM 0 HE1 MET B 69 23.995 1.701 -2.790 1.00 8.35 H new ATOM 0 HE2 MET B 69 23.288 0.166 -2.233 1.00 8.35 H new ATOM 0 HE3 MET B 69 23.407 0.511 -3.975 1.00 8.35 H new ATOM 822 N VAL B 70 22.450 -2.503 -5.380 1.00 12.64 N ATOM 823 CA VAL B 70 23.415 -2.585 -6.469 1.00 13.96 C ATOM 824 C VAL B 70 23.054 -3.713 -7.433 1.00 15.30 C ATOM 825 O VAL B 70 23.457 -3.698 -8.597 1.00 15.38 O ATOM 826 CB VAL B 70 24.845 -2.805 -5.939 1.00 12.58 C ATOM 827 CG1 VAL B 70 25.835 -2.924 -7.089 1.00 12.85 C ATOM 828 CG2 VAL B 70 25.242 -1.674 -5.001 1.00 10.61 C ATOM 0 H VAL B 70 22.791 -2.856 -4.486 1.00 12.64 H new ATOM 0 HA VAL B 70 23.381 -1.633 -6.999 1.00 13.96 H new ATOM 0 HB VAL B 70 24.864 -3.740 -5.379 1.00 12.58 H new ATOM 0 HG11 VAL B 70 26.838 -3.079 -6.691 1.00 12.85 H new ATOM 0 HG12 VAL B 70 25.560 -3.770 -7.720 1.00 12.85 H new ATOM 0 HG13 VAL B 70 25.817 -2.009 -7.681 1.00 12.85 H new ATOM 0 HG21 VAL B 70 26.255 -1.843 -4.635 1.00 10.61 H new ATOM 0 HG22 VAL B 70 25.204 -0.726 -5.538 1.00 10.61 H new ATOM 0 HG23 VAL B 70 24.552 -1.641 -4.158 1.00 10.61 H new ATOM 838 N PHE B 71 22.291 -4.686 -6.944 1.00 16.67 N ATOM 839 CA PHE B 71 21.875 -5.815 -7.768 1.00 18.45 C ATOM 840 C PHE B 71 20.973 -5.346 -8.904 1.00 19.75 C ATOM 841 O PHE B 71 21.103 -5.800 -10.041 1.00 20.00 O ATOM 842 CB PHE B 71 21.146 -6.855 -6.915 1.00 20.32 C ATOM 843 CG PHE B 71 20.654 -8.037 -7.701 1.00 21.84 C ATOM 844 CD1 PHE B 71 21.553 -9.004 -8.172 1.00 22.59 C ATOM 845 CD2 PHE B 71 19.288 -8.193 -7.977 1.00 22.78 C ATOM 846 CE1 PHE B 71 21.099 -10.105 -8.902 1.00 24.33 C ATOM 847 CE2 PHE B 71 18.828 -9.292 -8.708 1.00 24.33 C ATOM 848 CZ PHE B 71 19.735 -10.250 -9.171 1.00 25.13 C ATOM 0 H PHE B 71 21.949 -4.715 -5.983 1.00 16.67 H new ATOM 0 HA PHE B 71 22.766 -6.273 -8.198 1.00 18.45 H new ATOM 0 HB2 PHE B 71 21.817 -7.204 -6.130 1.00 20.32 H new ATOM 0 HB3 PHE B 71 20.299 -6.379 -6.421 1.00 20.32 H new ATOM 0 HD1 PHE B 71 22.608 -8.897 -7.968 1.00 22.59 H new ATOM 0 HD2 PHE B 71 18.584 -7.456 -7.621 1.00 22.78 H new ATOM 0 HE1 PHE B 71 21.801 -10.844 -9.258 1.00 24.33 H new ATOM 0 HE2 PHE B 71 17.774 -9.401 -8.915 1.00 24.33 H new ATOM 0 HZ PHE B 71 19.382 -11.101 -9.735 1.00 25.13 H new ATOM 858 N ASP B 72 20.062 -4.430 -8.590 1.00 20.81 N ATOM 859 CA ASP B 72 19.143 -3.895 -9.586 1.00 22.50 C ATOM 860 C ASP B 72 19.886 -3.014 -10.585 1.00 21.42 C ATOM 861 O ASP B 72 19.655 -3.094 -11.791 1.00 21.60 O ATOM 862 CB ASP B 72 18.029 -3.094 -8.908 1.00 24.26 C ATOM 863 CG ASP B 72 16.994 -2.591 -9.896 1.00 26.57 C ATOM 864 OD1 ASP B 72 16.340 -3.430 -10.551 1.00 27.26 O ATOM 865 OD2 ASP B 72 16.838 -1.357 -10.014 1.00 27.83 O ATOM 0 H ASP B 72 19.941 -4.044 -7.654 1.00 20.81 H new ATOM 0 HA ASP B 72 18.698 -4.732 -10.124 1.00 22.50 H new ATOM 0 HB2 ASP B 72 17.540 -3.718 -8.160 1.00 24.26 H new ATOM 0 HB3 ASP B 72 18.465 -2.246 -8.380 1.00 24.26 H new ATOM 870 N THR B 73 20.785 -2.176 -10.073 1.00 20.52 N ATOM 871 CA THR B 73 21.566 -1.284 -10.921 1.00 19.71 C ATOM 872 C THR B 73 22.297 -2.069 -12.005 1.00 19.88 C ATOM 873 O THR B 73 22.132 -1.802 -13.196 1.00 21.13 O ATOM 874 CB THR B 73 22.573 -0.499 -10.078 1.00 17.00 C ATOM 875 OG1 THR B 73 21.911 0.239 -9.065 1.00 16.62 O ATOM 876 CG2 THR B 73 23.403 0.474 -10.887 1.00 16.22 C ATOM 0 H THR B 73 20.989 -2.097 -9.077 1.00 20.52 H new ATOM 0 HA THR B 73 20.881 -0.585 -11.401 1.00 19.71 H new ATOM 0 HB THR B 73 23.238 -1.249 -9.650 1.00 17.00 H new ATOM 0 HG1 THR B 73 21.636 -0.367 -8.346 1.00 16.62 H new ATOM 0 HG21 THR B 73 24.096 0.997 -10.228 1.00 16.22 H new ATOM 0 HG22 THR B 73 23.965 -0.070 -11.646 1.00 16.22 H new ATOM 0 HG23 THR B 73 22.747 1.197 -11.371 1.00 16.22 H new ATOM 884 N LEU B 74 23.101 -3.041 -11.587 1.00 18.78 N ATOM 885 CA LEU B 74 23.855 -3.865 -12.524 1.00 18.92 C ATOM 886 C LEU B 74 22.926 -4.494 -13.557 1.00 20.82 C ATOM 887 O LEU B 74 23.253 -4.560 -14.743 1.00 21.16 O ATOM 888 CB LEU B 74 24.622 -4.958 -11.778 1.00 16.76 C ATOM 889 CG LEU B 74 25.617 -4.454 -10.731 1.00 14.58 C ATOM 890 CD1 LEU B 74 25.809 -5.492 -9.635 1.00 14.91 C ATOM 891 CD2 LEU B 74 26.948 -4.113 -11.382 1.00 12.13 C ATOM 0 H LEU B 74 23.247 -3.277 -10.606 1.00 18.78 H new ATOM 0 HA LEU B 74 24.568 -3.224 -13.041 1.00 18.92 H new ATOM 0 HB2 LEU B 74 23.903 -5.614 -11.287 1.00 16.76 H new ATOM 0 HB3 LEU B 74 25.161 -5.564 -12.507 1.00 16.76 H new ATOM 0 HG LEU B 74 25.213 -3.548 -10.280 1.00 14.58 H new ATOM 0 HD11 LEU B 74 26.520 -5.117 -8.899 1.00 14.91 H new ATOM 0 HD12 LEU B 74 24.853 -5.689 -9.149 1.00 14.91 H new ATOM 0 HD13 LEU B 74 26.191 -6.415 -10.071 1.00 14.91 H new ATOM 0 HD21 LEU B 74 27.644 -3.756 -10.623 1.00 12.13 H new ATOM 0 HD22 LEU B 74 27.358 -5.003 -11.860 1.00 12.13 H new ATOM 0 HD23 LEU B 74 26.798 -3.335 -12.131 1.00 12.13 H new ATOM 903 N LYS B 75 21.765 -4.954 -13.101 1.00 22.16 N ATOM 904 CA LYS B 75 20.788 -5.576 -13.989 1.00 24.24 C ATOM 905 C LYS B 75 20.520 -4.689 -15.199 1.00 26.15 C ATOM 906 O LYS B 75 20.407 -5.173 -16.326 1.00 27.74 O ATOM 907 CB LYS B 75 19.482 -5.847 -13.239 1.00 24.20 C ATOM 908 CG LYS B 75 18.472 -6.646 -14.045 1.00 25.21 C ATOM 909 CD LYS B 75 18.830 -8.124 -14.079 1.00 24.54 C ATOM 910 CE LYS B 75 18.015 -8.916 -13.070 1.00 25.31 C ATOM 911 NZ LYS B 75 16.830 -9.563 -13.700 1.00 25.53 N ATOM 0 H LYS B 75 21.478 -4.908 -12.123 1.00 22.16 H new ATOM 0 HA LYS B 75 21.199 -6.524 -14.337 1.00 24.24 H new ATOM 0 HB2 LYS B 75 19.707 -6.385 -12.318 1.00 24.20 H new ATOM 0 HB3 LYS B 75 19.034 -4.896 -12.951 1.00 24.20 H new ATOM 0 HG2 LYS B 75 17.479 -6.521 -13.613 1.00 25.21 H new ATOM 0 HG3 LYS B 75 18.428 -6.258 -15.063 1.00 25.21 H new ATOM 0 HD2 LYS B 75 18.656 -8.519 -15.080 1.00 24.54 H new ATOM 0 HD3 LYS B 75 19.892 -8.247 -13.868 1.00 24.54 H new ATOM 0 HE2 LYS B 75 18.645 -9.679 -12.613 1.00 25.31 H new ATOM 0 HE3 LYS B 75 17.685 -8.254 -12.270 1.00 25.31 H new ATOM 0 HZ1 LYS B 75 16.300 -10.094 -12.979 1.00 25.53 H new ATOM 0 HZ2 LYS B 75 16.216 -8.833 -14.114 1.00 25.53 H new ATOM 0 HZ3 LYS B 75 17.146 -10.214 -14.447 1.00 25.53 H new ATOM 925 N ASP B 76 20.422 -3.388 -14.956 1.00 26.17 N ATOM 926 CA ASP B 76 20.172 -2.426 -16.019 1.00 28.11 C ATOM 927 C ASP B 76 21.459 -2.109 -16.773 1.00 28.64 C ATOM 928 O ASP B 76 21.429 -1.728 -17.943 1.00 30.55 O ATOM 929 CB ASP B 76 19.574 -1.141 -15.443 1.00 27.95 C ATOM 930 CG ASP B 76 18.069 -1.226 -15.280 1.00 29.00 C ATOM 931 OD1 ASP B 76 17.597 -2.174 -14.618 1.00 30.01 O ATOM 932 OD2 ASP B 76 17.363 -0.345 -15.814 1.00 28.91 O ATOM 0 H ASP B 76 20.512 -2.975 -14.028 1.00 26.17 H new ATOM 0 HA ASP B 76 19.460 -2.867 -16.717 1.00 28.11 H new ATOM 0 HB2 ASP B 76 20.030 -0.933 -14.475 1.00 27.95 H new ATOM 0 HB3 ASP B 76 19.819 -0.304 -16.097 1.00 27.95 H new ATOM 937 N LEU B 77 22.590 -2.267 -16.091 1.00 26.99 N ATOM 938 CA LEU B 77 23.891 -2.000 -16.690 1.00 27.35 C ATOM 939 C LEU B 77 24.213 -3.025 -17.774 1.00 28.97 C ATOM 940 O LEU B 77 24.824 -2.696 -18.791 1.00 30.30 O ATOM 941 CB LEU B 77 24.978 -2.019 -15.615 1.00 25.15 C ATOM 942 CG LEU B 77 25.094 -0.737 -14.788 1.00 23.70 C ATOM 943 CD1 LEU B 77 25.933 -0.979 -13.543 1.00 21.28 C ATOM 944 CD2 LEU B 77 25.691 0.383 -15.626 1.00 24.63 C ATOM 0 H LEU B 77 22.630 -2.579 -15.121 1.00 26.99 H new ATOM 0 HA LEU B 77 23.858 -1.012 -17.150 1.00 27.35 H new ATOM 0 HB2 LEU B 77 24.785 -2.853 -14.940 1.00 25.15 H new ATOM 0 HB3 LEU B 77 25.938 -2.212 -16.094 1.00 25.15 H new ATOM 0 HG LEU B 77 24.094 -0.437 -14.474 1.00 23.70 H new ATOM 0 HD11 LEU B 77 26.004 -0.056 -12.967 1.00 21.28 H new ATOM 0 HD12 LEU B 77 25.465 -1.752 -12.933 1.00 21.28 H new ATOM 0 HD13 LEU B 77 26.932 -1.303 -13.835 1.00 21.28 H new ATOM 0 HD21 LEU B 77 25.767 1.288 -15.023 1.00 24.63 H new ATOM 0 HD22 LEU B 77 26.684 0.091 -15.969 1.00 24.63 H new ATOM 0 HD23 LEU B 77 25.051 0.574 -16.487 1.00 24.63 H new ATOM 956 N TYR B 78 23.801 -4.267 -17.547 1.00 29.06 N ATOM 957 CA TYR B 78 24.047 -5.341 -18.500 1.00 30.77 C ATOM 958 C TYR B 78 23.013 -5.323 -19.622 1.00 32.57 C ATOM 959 O TYR B 78 23.355 -5.151 -20.792 1.00 32.53 O ATOM 960 CB TYR B 78 24.017 -6.694 -17.786 1.00 31.97 C ATOM 961 CG TYR B 78 25.325 -7.060 -17.121 1.00 31.40 C ATOM 962 CD1 TYR B 78 26.505 -7.195 -17.874 1.00 31.83 C ATOM 963 CD2 TYR B 78 25.392 -7.274 -15.734 1.00 30.70 C ATOM 964 CE1 TYR B 78 27.715 -7.534 -17.262 1.00 31.51 C ATOM 965 CE2 TYR B 78 26.599 -7.613 -15.115 1.00 30.36 C ATOM 966 CZ TYR B 78 27.756 -7.742 -15.883 1.00 30.73 C ATOM 967 OH TYR B 78 28.945 -8.074 -15.277 1.00 30.62 O ATOM 0 H TYR B 78 23.294 -4.555 -16.710 1.00 29.06 H new ATOM 0 HA TYR B 78 25.033 -5.187 -18.939 1.00 30.77 H new ATOM 0 HB2 TYR B 78 23.229 -6.680 -17.034 1.00 31.97 H new ATOM 0 HB3 TYR B 78 23.757 -7.469 -18.507 1.00 31.97 H new ATOM 0 HD1 TYR B 78 26.476 -7.034 -18.942 1.00 31.83 H new ATOM 0 HD2 TYR B 78 24.498 -7.175 -15.137 1.00 30.70 H new ATOM 0 HE1 TYR B 78 28.613 -7.634 -17.853 1.00 31.51 H new ATOM 0 HE2 TYR B 78 26.635 -7.774 -14.048 1.00 30.36 H new ATOM 0 HH TYR B 78 28.864 -7.950 -14.308 1.00 30.62 H new ATOM 977 N LYS B 79 21.748 -5.503 -19.256 1.00 34.20 N ATOM 978 CA LYS B 79 20.661 -5.511 -20.230 1.00 36.13 C ATOM 979 C LYS B 79 20.744 -4.301 -21.156 1.00 36.71 C ATOM 980 O LYS B 79 20.319 -4.361 -22.310 1.00 36.83 O ATOM 981 CB LYS B 79 19.309 -5.526 -19.513 1.00 35.88 C ATOM 982 CG LYS B 79 19.005 -4.241 -18.759 1.00 36.00 C ATOM 983 CD LYS B 79 17.837 -3.493 -19.380 1.00 38.03 C ATOM 984 CE LYS B 79 16.716 -3.281 -18.375 1.00 37.63 C ATOM 985 NZ LYS B 79 15.804 -2.177 -18.786 1.00 39.43 N ATOM 0 H LYS B 79 21.450 -5.645 -18.291 1.00 34.20 H new ATOM 0 HA LYS B 79 20.757 -6.413 -20.835 1.00 36.13 H new ATOM 0 HB2 LYS B 79 18.521 -5.703 -20.245 1.00 35.88 H new ATOM 0 HB3 LYS B 79 19.288 -6.362 -18.813 1.00 35.88 H new ATOM 0 HG2 LYS B 79 18.777 -4.474 -17.719 1.00 36.00 H new ATOM 0 HG3 LYS B 79 19.888 -3.602 -18.757 1.00 36.00 H new ATOM 0 HD2 LYS B 79 18.179 -2.528 -19.755 1.00 38.03 H new ATOM 0 HD3 LYS B 79 17.459 -4.052 -20.236 1.00 38.03 H new ATOM 0 HE2 LYS B 79 16.145 -4.203 -18.268 1.00 37.63 H new ATOM 0 HE3 LYS B 79 17.142 -3.055 -17.398 1.00 37.63 H new ATOM 0 HZ1 LYS B 79 15.053 -2.064 -18.075 1.00 39.43 H new ATOM 0 HZ2 LYS B 79 16.344 -1.291 -18.863 1.00 39.43 H new ATOM 0 HZ3 LYS B 79 15.377 -2.404 -19.707 1.00 39.43 H new ATOM 1103 N ALA C 55 26.435 13.367 18.544 1.00 35.30 N ATOM 1104 CA ALA C 55 25.903 12.096 18.070 1.00 34.19 C ATOM 1105 C ALA C 55 25.185 12.264 16.735 1.00 31.61 C ATOM 1106 O ALA C 55 25.326 11.435 15.836 1.00 30.74 O ATOM 1107 CB ALA C 55 24.964 11.497 19.106 1.00 34.64 C ATOM 0 HA ALA C 55 26.740 11.414 17.918 1.00 34.19 H new ATOM 0 HB1 ALA C 55 24.574 10.548 18.738 1.00 34.64 H new ATOM 0 HB2 ALA C 55 25.507 11.330 20.036 1.00 34.64 H new ATOM 0 HB3 ALA C 55 24.137 12.183 19.287 1.00 34.64 H new ATOM 1113 N GLU C 56 24.418 13.344 16.609 1.00 30.43 N ATOM 1114 CA GLU C 56 23.685 13.616 15.378 1.00 28.02 C ATOM 1115 C GLU C 56 24.646 13.898 14.232 1.00 27.97 C ATOM 1116 O GLU C 56 24.575 13.269 13.176 1.00 27.95 O ATOM 1117 CB GLU C 56 22.737 14.801 15.569 1.00 27.04 C ATOM 1118 CG GLU C 56 21.591 14.829 14.572 1.00 25.87 C ATOM 1119 CD GLU C 56 20.805 16.124 14.623 1.00 25.03 C ATOM 1120 OE1 GLU C 56 21.260 17.118 14.019 1.00 26.12 O ATOM 1121 OE2 GLU C 56 19.734 16.144 15.266 1.00 23.48 O ATOM 0 H GLU C 56 24.289 14.042 17.342 1.00 30.43 H new ATOM 0 HA GLU C 56 23.097 12.732 15.131 1.00 28.02 H new ATOM 0 HB2 GLU C 56 22.328 14.770 16.579 1.00 27.04 H new ATOM 0 HB3 GLU C 56 23.305 15.727 15.484 1.00 27.04 H new ATOM 0 HG2 GLU C 56 21.986 14.688 13.566 1.00 25.87 H new ATOM 0 HG3 GLU C 56 20.920 13.993 14.771 1.00 25.87 H new ATOM 1128 N ARG C 57 25.549 14.846 14.449 1.00 28.15 N ATOM 1129 CA ARG C 57 26.532 15.210 13.438 1.00 28.44 C ATOM 1130 C ARG C 57 27.433 14.025 13.123 1.00 26.85 C ATOM 1131 O ARG C 57 27.697 13.719 11.959 1.00 26.38 O ATOM 1132 CB ARG C 57 27.375 16.396 13.911 1.00 30.44 C ATOM 1133 CG ARG C 57 26.555 17.531 14.501 1.00 31.23 C ATOM 1134 CD ARG C 57 27.428 18.725 14.850 1.00 33.46 C ATOM 1135 NE ARG C 57 26.724 19.691 15.687 1.00 35.31 N ATOM 1136 CZ ARG C 57 25.871 20.592 15.211 1.00 35.44 C ATOM 1137 NH1 ARG C 57 25.623 20.650 13.910 1.00 33.81 N ATOM 1138 NH2 ARG C 57 25.266 21.436 16.036 1.00 37.32 N ATOM 0 H ARG C 57 25.621 15.377 15.317 1.00 28.15 H new ATOM 0 HA ARG C 57 25.999 15.499 12.532 1.00 28.44 H new ATOM 0 HB2 ARG C 57 28.088 16.048 14.658 1.00 30.44 H new ATOM 0 HB3 ARG C 57 27.954 16.777 13.070 1.00 30.44 H new ATOM 0 HG2 ARG C 57 25.788 17.835 13.789 1.00 31.23 H new ATOM 0 HG3 ARG C 57 26.039 17.182 15.396 1.00 31.23 H new ATOM 0 HD2 ARG C 57 28.323 18.381 15.368 1.00 33.46 H new ATOM 0 HD3 ARG C 57 27.759 19.213 13.933 1.00 33.46 H new ATOM 0 HE ARG C 57 26.896 19.674 16.692 1.00 35.31 H new ATOM 0 HH11 ARG C 57 26.087 20.003 13.273 1.00 33.81 H new ATOM 0 HH12 ARG C 57 24.968 21.342 13.546 1.00 33.81 H new ATOM 0 HH21 ARG C 57 25.455 21.394 17.037 1.00 37.32 H new ATOM 0 HH22 ARG C 57 24.612 22.127 15.669 1.00 37.32 H new ATOM 1152 N LEU C 58 27.900 13.358 14.172 1.00 26.26 N ATOM 1153 CA LEU C 58 28.770 12.199 14.018 1.00 24.84 C ATOM 1154 C LEU C 58 28.133 11.165 13.096 1.00 22.56 C ATOM 1155 O LEU C 58 28.769 10.674 12.165 1.00 22.78 O ATOM 1156 CB LEU C 58 29.066 11.573 15.382 1.00 24.94 C ATOM 1157 CG LEU C 58 30.193 12.242 16.170 1.00 27.20 C ATOM 1158 CD1 LEU C 58 30.532 11.432 17.411 1.00 27.00 C ATOM 1159 CD2 LEU C 58 31.422 12.418 15.292 1.00 28.03 C ATOM 0 H LEU C 58 27.690 13.601 15.140 1.00 26.26 H new ATOM 0 HA LEU C 58 29.706 12.532 13.570 1.00 24.84 H new ATOM 0 HB2 LEU C 58 28.157 11.601 15.983 1.00 24.94 H new ATOM 0 HB3 LEU C 58 29.319 10.523 15.236 1.00 24.94 H new ATOM 0 HG LEU C 58 29.854 13.228 16.489 1.00 27.20 H new ATOM 0 HD11 LEU C 58 31.336 11.924 17.958 1.00 27.00 H new ATOM 0 HD12 LEU C 58 29.651 11.358 18.049 1.00 27.00 H new ATOM 0 HD13 LEU C 58 30.852 10.432 17.117 1.00 27.00 H new ATOM 0 HD21 LEU C 58 32.215 12.895 15.868 1.00 28.03 H new ATOM 0 HD22 LEU C 58 31.763 11.443 14.944 1.00 28.03 H new ATOM 0 HD23 LEU C 58 31.170 13.042 14.434 1.00 28.03 H new ATOM 1171 N ALA C 59 26.870 10.842 13.362 1.00 20.41 N ATOM 1172 CA ALA C 59 26.147 9.870 12.551 1.00 18.19 C ATOM 1173 C ALA C 59 26.227 10.231 11.073 1.00 18.33 C ATOM 1174 O ALA C 59 26.397 9.361 10.219 1.00 19.00 O ATOM 1175 CB ALA C 59 24.695 9.786 13.000 1.00 17.16 C ATOM 0 H ALA C 59 26.329 11.238 14.130 1.00 20.41 H new ATOM 0 HA ALA C 59 26.613 8.894 12.688 1.00 18.19 H new ATOM 0 HB1 ALA C 59 24.166 9.057 12.386 1.00 17.16 H new ATOM 0 HB2 ALA C 59 24.654 9.479 14.045 1.00 17.16 H new ATOM 0 HB3 ALA C 59 24.223 10.763 12.891 1.00 17.16 H new ATOM 1181 N ASP C 60 26.111 11.522 10.779 1.00 17.79 N ATOM 1182 CA ASP C 60 26.176 12.002 9.404 1.00 17.85 C ATOM 1183 C ASP C 60 27.601 11.903 8.872 1.00 18.37 C ATOM 1184 O ASP C 60 27.818 11.753 7.669 1.00 18.09 O ATOM 1185 CB ASP C 60 25.687 13.448 9.322 1.00 17.36 C ATOM 1186 CG ASP C 60 25.369 13.871 7.902 1.00 17.13 C ATOM 1187 OD1 ASP C 60 24.818 13.045 7.146 1.00 17.34 O ATOM 1188 OD2 ASP C 60 25.672 15.030 7.545 1.00 16.99 O ATOM 0 H ASP C 60 25.971 12.254 11.475 1.00 17.79 H new ATOM 0 HA ASP C 60 25.528 11.376 8.790 1.00 17.85 H new ATOM 0 HB2 ASP C 60 24.797 13.563 9.940 1.00 17.36 H new ATOM 0 HB3 ASP C 60 26.449 14.110 9.733 1.00 17.36 H new ATOM 1193 N GLU C 61 28.569 11.983 9.779 1.00 19.19 N ATOM 1194 CA GLU C 61 29.975 11.899 9.408 1.00 19.76 C ATOM 1195 C GLU C 61 30.365 10.459 9.100 1.00 20.18 C ATOM 1196 O GLU C 61 30.936 10.169 8.049 1.00 20.65 O ATOM 1197 CB GLU C 61 30.854 12.450 10.532 1.00 19.75 C ATOM 1198 CG GLU C 61 32.248 12.848 10.077 1.00 20.09 C ATOM 1199 CD GLU C 61 32.896 13.858 11.003 1.00 20.00 C ATOM 1200 OE1 GLU C 61 33.325 13.462 12.107 1.00 20.08 O ATOM 1201 OE2 GLU C 61 32.976 15.045 10.623 1.00 19.84 O ATOM 0 H GLU C 61 28.404 12.106 10.778 1.00 19.19 H new ATOM 0 HA GLU C 61 30.128 12.500 8.511 1.00 19.76 H new ATOM 0 HB2 GLU C 61 30.364 13.318 10.973 1.00 19.75 H new ATOM 0 HB3 GLU C 61 30.938 11.699 11.317 1.00 19.75 H new ATOM 0 HG2 GLU C 61 32.875 11.958 10.019 1.00 20.09 H new ATOM 0 HG3 GLU C 61 32.193 13.265 9.071 1.00 20.09 H new ATOM 1208 N GLN C 62 30.049 9.562 10.025 1.00 20.03 N ATOM 1209 CA GLN C 62 30.360 8.148 9.857 1.00 20.40 C ATOM 1210 C GLN C 62 29.775 7.621 8.550 1.00 18.91 C ATOM 1211 O GLN C 62 30.455 6.933 7.787 1.00 19.82 O ATOM 1212 CB GLN C 62 29.820 7.340 11.038 1.00 20.15 C ATOM 1213 CG GLN C 62 30.290 7.852 12.389 1.00 22.76 C ATOM 1214 CD GLN C 62 31.794 7.768 12.554 1.00 23.50 C ATOM 1215 OE1 GLN C 62 32.467 7.018 11.846 1.00 23.81 O ATOM 1216 NE2 GLN C 62 32.330 8.537 13.493 1.00 23.79 N ATOM 0 H GLN C 62 29.577 9.789 10.900 1.00 20.03 H new ATOM 0 HA GLN C 62 31.444 8.038 9.822 1.00 20.40 H new ATOM 0 HB2 GLN C 62 28.730 7.357 11.011 1.00 20.15 H new ATOM 0 HB3 GLN C 62 30.126 6.300 10.926 1.00 20.15 H new ATOM 0 HG2 GLN C 62 29.972 8.887 12.511 1.00 22.76 H new ATOM 0 HG3 GLN C 62 29.809 7.275 13.179 1.00 22.76 H new ATOM 0 HE21 GLN C 62 31.735 9.144 14.057 1.00 23.79 H new ATOM 0 HE22 GLN C 62 33.338 8.522 13.651 1.00 23.79 H new ATOM 1225 N SER C 63 28.514 7.953 8.294 1.00 16.80 N ATOM 1226 CA SER C 63 27.844 7.517 7.075 1.00 15.52 C ATOM 1227 C SER C 63 28.552 8.079 5.848 1.00 15.63 C ATOM 1228 O SER C 63 28.749 7.377 4.857 1.00 14.09 O ATOM 1229 CB SER C 63 26.379 7.958 7.083 1.00 16.07 C ATOM 1230 OG SER C 63 26.263 9.336 7.392 1.00 17.94 O ATOM 0 H SER C 63 27.937 8.522 8.913 1.00 16.80 H new ATOM 0 HA SER C 63 27.882 6.428 7.034 1.00 15.52 H new ATOM 0 HB2 SER C 63 25.932 7.762 6.109 1.00 16.07 H new ATOM 0 HB3 SER C 63 25.823 7.370 7.813 1.00 16.07 H new ATOM 0 HG SER C 63 26.313 9.459 8.363 1.00 17.94 H new ATOM 1236 N GLU C 64 28.941 9.348 5.924 1.00 17.71 N ATOM 1237 CA GLU C 64 29.636 9.999 4.821 1.00 18.35 C ATOM 1238 C GLU C 64 30.845 9.175 4.397 1.00 17.15 C ATOM 1239 O GLU C 64 31.170 9.093 3.212 1.00 16.97 O ATOM 1240 CB GLU C 64 30.078 11.407 5.225 1.00 21.02 C ATOM 1241 CG GLU C 64 29.484 12.503 4.355 1.00 21.69 C ATOM 1242 CD GLU C 64 29.787 13.893 4.881 1.00 24.35 C ATOM 1243 OE1 GLU C 64 30.112 14.016 6.080 1.00 26.04 O ATOM 1244 OE2 GLU C 64 29.699 14.858 4.092 1.00 24.81 O ATOM 0 H GLU C 64 28.787 9.944 6.737 1.00 17.71 H new ATOM 0 HA GLU C 64 28.949 10.076 3.978 1.00 18.35 H new ATOM 0 HB2 GLU C 64 29.795 11.584 6.263 1.00 21.02 H new ATOM 0 HB3 GLU C 64 31.165 11.465 5.177 1.00 21.02 H new ATOM 0 HG2 GLU C 64 29.874 12.409 3.342 1.00 21.69 H new ATOM 0 HG3 GLU C 64 28.404 12.369 4.295 1.00 21.69 H new ATOM 1251 N LEU C 65 31.502 8.558 5.374 1.00 16.37 N ATOM 1252 CA LEU C 65 32.671 7.731 5.106 1.00 15.28 C ATOM 1253 C LEU C 65 32.269 6.474 4.342 1.00 13.85 C ATOM 1254 O LEU C 65 32.954 6.057 3.408 1.00 13.95 O ATOM 1255 CB LEU C 65 33.362 7.349 6.416 1.00 15.74 C ATOM 1256 CG LEU C 65 34.219 8.452 7.040 1.00 16.76 C ATOM 1257 CD1 LEU C 65 34.095 8.431 8.555 1.00 15.62 C ATOM 1258 CD2 LEU C 65 35.673 8.298 6.619 1.00 18.51 C ATOM 0 H LEU C 65 31.244 8.616 6.359 1.00 16.37 H new ATOM 0 HA LEU C 65 33.367 8.305 4.495 1.00 15.28 H new ATOM 0 HB2 LEU C 65 32.601 7.049 7.137 1.00 15.74 H new ATOM 0 HB3 LEU C 65 33.992 6.478 6.236 1.00 15.74 H new ATOM 0 HG LEU C 65 33.857 9.415 6.680 1.00 16.76 H new ATOM 0 HD11 LEU C 65 34.711 9.222 8.982 1.00 15.62 H new ATOM 0 HD12 LEU C 65 33.054 8.590 8.837 1.00 15.62 H new ATOM 0 HD13 LEU C 65 34.430 7.466 8.934 1.00 15.62 H new ATOM 0 HD21 LEU C 65 36.269 9.091 7.072 1.00 18.51 H new ATOM 0 HD22 LEU C 65 36.047 7.329 6.950 1.00 18.51 H new ATOM 0 HD23 LEU C 65 35.746 8.364 5.533 1.00 18.51 H new ATOM 1270 N VAL C 66 31.148 5.882 4.739 1.00 12.95 N ATOM 1271 CA VAL C 66 30.647 4.680 4.088 1.00 11.81 C ATOM 1272 C VAL C 66 30.199 4.988 2.665 1.00 9.71 C ATOM 1273 O VAL C 66 30.457 4.218 1.741 1.00 9.42 O ATOM 1274 CB VAL C 66 29.467 4.065 4.864 1.00 12.52 C ATOM 1275 CG1 VAL C 66 29.021 2.763 4.218 1.00 11.68 C ATOM 1276 CG2 VAL C 66 29.842 3.845 6.321 1.00 14.82 C ATOM 0 H VAL C 66 30.569 6.216 5.510 1.00 12.95 H new ATOM 0 HA VAL C 66 31.466 3.961 4.069 1.00 11.81 H new ATOM 0 HB VAL C 66 28.631 4.764 4.830 1.00 12.52 H new ATOM 0 HG11 VAL C 66 28.187 2.345 4.781 1.00 11.68 H new ATOM 0 HG12 VAL C 66 28.707 2.955 3.192 1.00 11.68 H new ATOM 0 HG13 VAL C 66 29.850 2.055 4.217 1.00 11.68 H new ATOM 0 HG21 VAL C 66 28.996 3.410 6.853 1.00 14.82 H new ATOM 0 HG22 VAL C 66 30.694 3.168 6.379 1.00 14.82 H new ATOM 0 HG23 VAL C 66 30.105 4.799 6.777 1.00 14.82 H new ATOM 1286 N LYS C 67 29.531 6.125 2.498 1.00 8.82 N ATOM 1287 CA LYS C 67 29.051 6.544 1.187 1.00 6.83 C ATOM 1288 C LYS C 67 30.222 6.791 0.244 1.00 7.02 C ATOM 1289 O LYS C 67 30.214 6.343 -0.903 1.00 7.03 O ATOM 1290 CB LYS C 67 28.201 7.809 1.311 1.00 7.32 C ATOM 1291 CG LYS C 67 27.699 8.337 -0.022 1.00 7.60 C ATOM 1292 CD LYS C 67 27.780 9.852 -0.088 1.00 7.99 C ATOM 1293 CE LYS C 67 28.099 10.333 -1.494 1.00 7.80 C ATOM 1294 NZ LYS C 67 29.501 10.818 -1.610 1.00 8.24 N ATOM 0 H LYS C 67 29.310 6.772 3.255 1.00 8.82 H new ATOM 0 HA LYS C 67 28.434 5.745 0.775 1.00 6.83 H new ATOM 0 HB2 LYS C 67 27.347 7.601 1.955 1.00 7.32 H new ATOM 0 HB3 LYS C 67 28.789 8.585 1.802 1.00 7.32 H new ATOM 0 HG2 LYS C 67 28.288 7.905 -0.831 1.00 7.60 H new ATOM 0 HG3 LYS C 67 26.667 8.020 -0.175 1.00 7.60 H new ATOM 0 HD2 LYS C 67 26.833 10.282 0.239 1.00 7.99 H new ATOM 0 HD3 LYS C 67 28.546 10.207 0.601 1.00 7.99 H new ATOM 0 HE2 LYS C 67 27.937 9.520 -2.201 1.00 7.80 H new ATOM 0 HE3 LYS C 67 27.414 11.135 -1.767 1.00 7.80 H new ATOM 0 HZ1 LYS C 67 29.679 11.137 -2.584 1.00 8.24 H new ATOM 0 HZ2 LYS C 67 29.650 11.611 -0.953 1.00 8.24 H new ATOM 0 HZ3 LYS C 67 30.156 10.046 -1.374 1.00 8.24 H new ATOM 1308 N LYS C 68 31.232 7.502 0.736 1.00 8.06 N ATOM 1309 CA LYS C 68 32.415 7.803 -0.061 1.00 9.20 C ATOM 1310 C LYS C 68 33.085 6.514 -0.525 1.00 9.55 C ATOM 1311 O LYS C 68 33.617 6.442 -1.633 1.00 11.54 O ATOM 1312 CB LYS C 68 33.404 8.646 0.746 1.00 11.42 C ATOM 1313 CG LYS C 68 34.588 9.141 -0.069 1.00 13.16 C ATOM 1314 CD LYS C 68 35.260 10.334 0.591 1.00 12.92 C ATOM 1315 CE LYS C 68 35.721 10.004 2.002 1.00 12.36 C ATOM 1316 NZ LYS C 68 36.695 11.006 2.516 1.00 13.16 N ATOM 0 H LYS C 68 31.254 7.880 1.683 1.00 8.06 H new ATOM 0 HA LYS C 68 32.103 8.372 -0.937 1.00 9.20 H new ATOM 0 HB2 LYS C 68 32.879 9.504 1.166 1.00 11.42 H new ATOM 0 HB3 LYS C 68 33.772 8.055 1.585 1.00 11.42 H new ATOM 0 HG2 LYS C 68 35.312 8.335 -0.188 1.00 13.16 H new ATOM 0 HG3 LYS C 68 34.253 9.418 -1.068 1.00 13.16 H new ATOM 0 HD2 LYS C 68 36.115 10.649 -0.008 1.00 12.92 H new ATOM 0 HD3 LYS C 68 34.565 11.173 0.621 1.00 12.92 H new ATOM 0 HE2 LYS C 68 34.857 9.963 2.666 1.00 12.36 H new ATOM 0 HE3 LYS C 68 36.178 9.015 2.013 1.00 12.36 H new ATOM 0 HZ1 LYS C 68 36.985 10.745 3.480 1.00 13.16 H new ATOM 0 HZ2 LYS C 68 37.531 11.027 1.897 1.00 13.16 H new ATOM 0 HZ3 LYS C 68 36.251 11.946 2.530 1.00 13.16 H new ATOM 1330 N MET C 69 33.052 5.499 0.331 1.00 7.78 N ATOM 1331 CA MET C 69 33.651 4.211 0.012 1.00 8.02 C ATOM 1332 C MET C 69 32.884 3.526 -1.115 1.00 6.74 C ATOM 1333 O MET C 69 33.478 2.908 -1.999 1.00 6.21 O ATOM 1334 CB MET C 69 33.672 3.314 1.251 1.00 8.10 C ATOM 1335 CG MET C 69 34.167 1.904 0.973 1.00 7.18 C ATOM 1336 SD MET C 69 34.085 0.841 2.427 1.00 7.65 S ATOM 1337 CE MET C 69 32.401 1.130 2.965 1.00 7.88 C ATOM 0 H MET C 69 32.616 5.545 1.252 1.00 7.78 H new ATOM 0 HA MET C 69 34.675 4.382 -0.318 1.00 8.02 H new ATOM 0 HB2 MET C 69 34.308 3.771 2.009 1.00 8.10 H new ATOM 0 HB3 MET C 69 32.666 3.261 1.668 1.00 8.10 H new ATOM 0 HG2 MET C 69 33.571 1.465 0.173 1.00 7.18 H new ATOM 0 HG3 MET C 69 35.196 1.948 0.617 1.00 7.18 H new ATOM 0 HE1 MET C 69 32.080 0.312 3.610 1.00 7.88 H new ATOM 0 HE2 MET C 69 32.351 2.069 3.517 1.00 7.88 H new ATOM 0 HE3 MET C 69 31.746 1.185 2.096 1.00 7.88 H new ATOM 1347 N VAL C 70 31.560 3.643 -1.076 1.00 7.04 N ATOM 1348 CA VAL C 70 30.710 3.039 -2.092 1.00 7.62 C ATOM 1349 C VAL C 70 30.836 3.779 -3.420 1.00 8.07 C ATOM 1350 O VAL C 70 30.910 3.159 -4.478 1.00 7.99 O ATOM 1351 CB VAL C 70 29.232 3.024 -1.653 1.00 8.06 C ATOM 1352 CG1 VAL C 70 28.341 2.460 -2.752 1.00 9.45 C ATOM 1353 CG2 VAL C 70 29.070 2.224 -0.370 1.00 6.01 C ATOM 0 H VAL C 70 31.054 4.151 -0.351 1.00 7.04 H new ATOM 0 HA VAL C 70 31.047 2.011 -2.221 1.00 7.62 H new ATOM 0 HB VAL C 70 28.922 4.052 -1.465 1.00 8.06 H new ATOM 0 HG11 VAL C 70 27.304 2.461 -2.416 1.00 9.45 H new ATOM 0 HG12 VAL C 70 28.433 3.076 -3.647 1.00 9.45 H new ATOM 0 HG13 VAL C 70 28.647 1.439 -2.981 1.00 9.45 H new ATOM 0 HG21 VAL C 70 28.021 2.222 -0.072 1.00 6.01 H new ATOM 0 HG22 VAL C 70 29.402 1.199 -0.536 1.00 6.01 H new ATOM 0 HG23 VAL C 70 29.670 2.676 0.419 1.00 6.01 H new ATOM 1363 N PHE C 71 30.863 5.107 -3.358 1.00 8.97 N ATOM 1364 CA PHE C 71 30.984 5.916 -4.564 1.00 9.58 C ATOM 1365 C PHE C 71 32.171 5.451 -5.403 1.00 9.77 C ATOM 1366 O PHE C 71 32.003 4.998 -6.534 1.00 9.59 O ATOM 1367 CB PHE C 71 31.141 7.398 -4.205 1.00 10.50 C ATOM 1368 CG PHE C 71 31.485 8.267 -5.383 1.00 11.72 C ATOM 1369 CD1 PHE C 71 30.476 8.798 -6.198 1.00 13.82 C ATOM 1370 CD2 PHE C 71 32.823 8.552 -5.690 1.00 11.06 C ATOM 1371 CE1 PHE C 71 30.795 9.600 -7.298 1.00 15.22 C ATOM 1372 CE2 PHE C 71 33.149 9.351 -6.789 1.00 12.68 C ATOM 1373 CZ PHE C 71 32.134 9.876 -7.594 1.00 14.71 C ATOM 0 H PHE C 71 30.803 5.642 -2.491 1.00 8.97 H new ATOM 0 HA PHE C 71 30.073 5.794 -5.149 1.00 9.58 H new ATOM 0 HB2 PHE C 71 30.213 7.756 -3.758 1.00 10.50 H new ATOM 0 HB3 PHE C 71 31.919 7.500 -3.449 1.00 10.50 H new ATOM 0 HD1 PHE C 71 29.441 8.585 -5.974 1.00 13.82 H new ATOM 0 HD2 PHE C 71 33.610 8.149 -5.070 1.00 11.06 H new ATOM 0 HE1 PHE C 71 30.009 10.006 -7.918 1.00 15.22 H new ATOM 0 HE2 PHE C 71 34.183 9.563 -7.016 1.00 12.68 H new ATOM 0 HZ PHE C 71 32.383 10.494 -8.444 1.00 14.71 H new ATOM 1383 N ASP C 72 33.369 5.563 -4.840 1.00 10.21 N ATOM 1384 CA ASP C 72 34.581 5.149 -5.537 1.00 10.47 C ATOM 1385 C ASP C 72 34.434 3.729 -6.074 1.00 10.03 C ATOM 1386 O ASP C 72 34.813 3.441 -7.209 1.00 11.03 O ATOM 1387 CB ASP C 72 35.787 5.234 -4.602 1.00 10.85 C ATOM 1388 CG ASP C 72 37.073 5.548 -5.344 1.00 11.65 C ATOM 1389 OD1 ASP C 72 37.643 4.623 -5.961 1.00 11.16 O ATOM 1390 OD2 ASP C 72 37.508 6.717 -5.307 1.00 13.11 O ATOM 0 H ASP C 72 33.527 5.937 -3.904 1.00 10.21 H new ATOM 0 HA ASP C 72 34.739 5.824 -6.378 1.00 10.47 H new ATOM 0 HB2 ASP C 72 35.607 6.003 -3.851 1.00 10.85 H new ATOM 0 HB3 ASP C 72 35.899 4.289 -4.071 1.00 10.85 H new ATOM 1395 N THR C 73 33.875 2.846 -5.252 1.00 8.91 N ATOM 1396 CA THR C 73 33.672 1.459 -5.648 1.00 8.41 C ATOM 1397 C THR C 73 32.643 1.372 -6.770 1.00 9.56 C ATOM 1398 O THR C 73 32.983 1.085 -7.917 1.00 10.65 O ATOM 1399 CB THR C 73 33.218 0.624 -4.444 1.00 6.21 C ATOM 1400 OG1 THR C 73 34.276 0.472 -3.515 1.00 4.98 O ATOM 1401 CG2 THR C 73 32.729 -0.764 -4.810 1.00 5.24 C ATOM 0 H THR C 73 33.555 3.067 -4.309 1.00 8.91 H new ATOM 0 HA THR C 73 34.618 1.060 -6.013 1.00 8.41 H new ATOM 0 HB THR C 73 32.383 1.178 -4.015 1.00 6.21 H new ATOM 0 HG1 THR C 73 34.007 -0.156 -2.813 1.00 4.98 H new ATOM 0 HG21 THR C 73 32.426 -1.293 -3.906 1.00 5.24 H new ATOM 0 HG22 THR C 73 31.878 -0.683 -5.486 1.00 5.24 H new ATOM 0 HG23 THR C 73 33.531 -1.315 -5.301 1.00 5.24 H new ATOM 1409 N LEU C 74 31.382 1.624 -6.428 1.00 9.66 N ATOM 1410 CA LEU C 74 30.299 1.579 -7.405 1.00 11.24 C ATOM 1411 C LEU C 74 30.663 2.361 -8.662 1.00 11.65 C ATOM 1412 O LEU C 74 30.309 1.968 -9.774 1.00 12.35 O ATOM 1413 CB LEU C 74 29.013 2.134 -6.793 1.00 11.57 C ATOM 1414 CG LEU C 74 28.351 1.230 -5.752 1.00 10.68 C ATOM 1415 CD1 LEU C 74 26.940 1.707 -5.454 1.00 13.05 C ATOM 1416 CD2 LEU C 74 28.338 -0.215 -6.230 1.00 9.19 C ATOM 0 H LEU C 74 31.086 1.861 -5.481 1.00 9.66 H new ATOM 0 HA LEU C 74 30.139 0.538 -7.687 1.00 11.24 H new ATOM 0 HB2 LEU C 74 29.234 3.095 -6.329 1.00 11.57 H new ATOM 0 HB3 LEU C 74 28.299 2.323 -7.595 1.00 11.57 H new ATOM 0 HG LEU C 74 28.933 1.281 -4.832 1.00 10.68 H new ATOM 0 HD11 LEU C 74 26.484 1.052 -4.711 1.00 13.05 H new ATOM 0 HD12 LEU C 74 26.974 2.726 -5.068 1.00 13.05 H new ATOM 0 HD13 LEU C 74 26.348 1.686 -6.369 1.00 13.05 H new ATOM 0 HD21 LEU C 74 27.863 -0.843 -5.476 1.00 9.19 H new ATOM 0 HD22 LEU C 74 27.780 -0.284 -7.164 1.00 9.19 H new ATOM 0 HD23 LEU C 74 29.361 -0.554 -6.392 1.00 9.19 H new ATOM 1428 N LYS C 75 31.378 3.464 -8.479 1.00 11.34 N ATOM 1429 CA LYS C 75 31.799 4.294 -9.600 1.00 11.80 C ATOM 1430 C LYS C 75 32.601 3.467 -10.594 1.00 13.02 C ATOM 1431 O LYS C 75 32.168 3.237 -11.723 1.00 14.45 O ATOM 1432 CB LYS C 75 32.643 5.470 -9.102 1.00 9.80 C ATOM 1433 CG LYS C 75 33.156 6.367 -10.216 1.00 10.58 C ATOM 1434 CD LYS C 75 32.732 7.812 -10.008 1.00 9.86 C ATOM 1435 CE LYS C 75 33.915 8.761 -10.118 1.00 8.69 C ATOM 1436 NZ LYS C 75 33.592 9.961 -10.938 1.00 9.07 N ATOM 0 H LYS C 75 31.678 3.804 -7.565 1.00 11.34 H new ATOM 0 HA LYS C 75 30.910 4.682 -10.097 1.00 11.80 H new ATOM 0 HB2 LYS C 75 32.047 6.067 -8.412 1.00 9.80 H new ATOM 0 HB3 LYS C 75 33.492 5.084 -8.538 1.00 9.80 H new ATOM 0 HG2 LYS C 75 34.244 6.309 -10.260 1.00 10.58 H new ATOM 0 HG3 LYS C 75 32.779 6.010 -11.174 1.00 10.58 H new ATOM 0 HD2 LYS C 75 31.978 8.081 -10.748 1.00 9.86 H new ATOM 0 HD3 LYS C 75 32.268 7.919 -9.027 1.00 9.86 H new ATOM 0 HE2 LYS C 75 34.222 9.075 -9.120 1.00 8.69 H new ATOM 0 HE3 LYS C 75 34.761 8.236 -10.561 1.00 8.69 H new ATOM 0 HZ1 LYS C 75 34.114 10.783 -10.572 1.00 9.07 H new ATOM 0 HZ2 LYS C 75 33.865 9.790 -11.927 1.00 9.07 H new ATOM 0 HZ3 LYS C 75 32.571 10.150 -10.889 1.00 9.07 H new ATOM 1450 N ASP C 76 33.771 3.020 -10.158 1.00 12.77 N ATOM 1451 CA ASP C 76 34.643 2.211 -11.000 1.00 14.30 C ATOM 1452 C ASP C 76 33.993 0.869 -11.324 1.00 15.89 C ATOM 1453 O ASP C 76 34.259 0.276 -12.370 1.00 17.71 O ATOM 1454 CB ASP C 76 35.989 1.986 -10.308 1.00 13.69 C ATOM 1455 CG ASP C 76 37.157 2.081 -11.271 1.00 14.67 C ATOM 1456 OD1 ASP C 76 37.224 3.073 -12.028 1.00 16.76 O ATOM 1457 OD2 ASP C 76 38.006 1.165 -11.268 1.00 13.58 O ATOM 0 H ASP C 76 34.139 3.204 -9.225 1.00 12.77 H new ATOM 0 HA ASP C 76 34.808 2.749 -11.933 1.00 14.30 H new ATOM 0 HB2 ASP C 76 36.115 2.723 -9.515 1.00 13.69 H new ATOM 0 HB3 ASP C 76 35.991 1.004 -9.834 1.00 13.69 H new ATOM 1462 N LEU C 77 33.138 0.394 -10.422 1.00 15.37 N ATOM 1463 CA LEU C 77 32.450 -0.876 -10.614 1.00 16.93 C ATOM 1464 C LEU C 77 31.473 -0.785 -11.785 1.00 19.43 C ATOM 1465 O LEU C 77 31.567 -1.549 -12.745 1.00 21.19 O ATOM 1466 CB LEU C 77 31.719 -1.276 -9.325 1.00 15.97 C ATOM 1467 CG LEU C 77 30.563 -2.270 -9.489 1.00 16.23 C ATOM 1468 CD1 LEU C 77 30.936 -3.373 -10.468 1.00 15.71 C ATOM 1469 CD2 LEU C 77 30.176 -2.859 -8.141 1.00 17.11 C ATOM 0 H LEU C 77 32.906 0.871 -9.551 1.00 15.37 H new ATOM 0 HA LEU C 77 33.187 -1.644 -10.849 1.00 16.93 H new ATOM 0 HB2 LEU C 77 32.447 -1.706 -8.637 1.00 15.97 H new ATOM 0 HB3 LEU C 77 31.331 -0.372 -8.855 1.00 15.97 H new ATOM 0 HG LEU C 77 29.704 -1.734 -9.892 1.00 16.23 H new ATOM 0 HD11 LEU C 77 30.102 -4.067 -10.569 1.00 15.71 H new ATOM 0 HD12 LEU C 77 31.164 -2.935 -11.440 1.00 15.71 H new ATOM 0 HD13 LEU C 77 31.810 -3.908 -10.097 1.00 15.71 H new ATOM 0 HD21 LEU C 77 29.354 -3.563 -8.274 1.00 17.11 H new ATOM 0 HD22 LEU C 77 31.033 -3.378 -7.711 1.00 17.11 H new ATOM 0 HD23 LEU C 77 29.863 -2.059 -7.470 1.00 17.11 H new ATOM 1481 N TYR C 78 30.540 0.156 -11.699 1.00 19.66 N ATOM 1482 CA TYR C 78 29.551 0.347 -12.753 1.00 22.04 C ATOM 1483 C TYR C 78 30.229 0.721 -14.066 1.00 22.79 C ATOM 1484 O TYR C 78 29.691 0.476 -15.146 1.00 23.40 O ATOM 1485 CB TYR C 78 28.548 1.432 -12.354 1.00 23.71 C ATOM 1486 CG TYR C 78 27.720 1.076 -11.139 1.00 24.00 C ATOM 1487 CD1 TYR C 78 27.380 -0.259 -10.862 1.00 24.73 C ATOM 1488 CD2 TYR C 78 27.270 2.074 -10.257 1.00 23.82 C ATOM 1489 CE1 TYR C 78 26.614 -0.591 -9.740 1.00 25.26 C ATOM 1490 CE2 TYR C 78 26.505 1.751 -9.133 1.00 24.37 C ATOM 1491 CZ TYR C 78 26.181 0.418 -8.879 1.00 25.08 C ATOM 1492 OH TYR C 78 25.428 0.096 -7.774 1.00 25.87 O ATOM 0 H TYR C 78 30.448 0.798 -10.912 1.00 19.66 H new ATOM 0 HA TYR C 78 29.017 -0.593 -12.893 1.00 22.04 H new ATOM 0 HB2 TYR C 78 29.087 2.358 -12.157 1.00 23.71 H new ATOM 0 HB3 TYR C 78 27.881 1.624 -13.194 1.00 23.71 H new ATOM 0 HD1 TYR C 78 27.716 -1.041 -11.526 1.00 24.73 H new ATOM 0 HD2 TYR C 78 27.519 3.107 -10.451 1.00 23.82 H new ATOM 0 HE1 TYR C 78 26.359 -1.622 -9.541 1.00 25.26 H new ATOM 0 HE2 TYR C 78 26.166 2.529 -8.465 1.00 24.37 H new ATOM 0 HH TYR C 78 24.537 -0.197 -8.059 1.00 25.87 H new ATOM 1502 N LYS C 79 31.416 1.312 -13.966 1.00 22.84 N ATOM 1503 CA LYS C 79 32.169 1.715 -15.148 1.00 23.64 C ATOM 1504 C LYS C 79 32.714 0.493 -15.880 1.00 23.66 C ATOM 1505 O LYS C 79 32.883 0.512 -17.099 1.00 23.34 O ATOM 1506 CB LYS C 79 33.317 2.646 -14.755 1.00 21.99 C ATOM 1507 CG LYS C 79 32.894 4.095 -14.577 1.00 23.39 C ATOM 1508 CD LYS C 79 33.126 4.904 -15.845 1.00 25.11 C ATOM 1509 CE LYS C 79 33.589 6.317 -15.527 1.00 24.64 C ATOM 1510 NZ LYS C 79 34.223 6.971 -16.704 1.00 25.87 N ATOM 0 H LYS C 79 31.876 1.522 -13.080 1.00 22.84 H new ATOM 0 HA LYS C 79 31.495 2.249 -15.818 1.00 23.64 H new ATOM 0 HB2 LYS C 79 33.761 2.289 -13.825 1.00 21.99 H new ATOM 0 HB3 LYS C 79 34.093 2.594 -15.519 1.00 21.99 H new ATOM 0 HG2 LYS C 79 31.839 4.136 -14.306 1.00 23.39 H new ATOM 0 HG3 LYS C 79 33.453 4.540 -13.753 1.00 23.39 H new ATOM 0 HD2 LYS C 79 33.872 4.406 -16.464 1.00 25.11 H new ATOM 0 HD3 LYS C 79 32.205 4.944 -16.426 1.00 25.11 H new ATOM 0 HE2 LYS C 79 32.738 6.912 -15.196 1.00 24.64 H new ATOM 0 HE3 LYS C 79 34.299 6.289 -14.701 1.00 24.64 H new ATOM 0 HZ1 LYS C 79 34.525 7.932 -16.446 1.00 25.87 H new ATOM 0 HZ2 LYS C 79 35.050 6.417 -17.005 1.00 25.87 H new ATOM 0 HZ3 LYS C 79 33.537 7.021 -17.484 1.00 25.87 H new ATOM 1524 N LYS C 80 32.988 -0.568 -15.127 1.00 24.19 N ATOM 1525 CA LYS C 80 33.513 -1.798 -15.704 1.00 24.58 C ATOM 1526 C LYS C 80 32.443 -2.522 -16.517 1.00 27.34 C ATOM 1527 O LYS C 80 32.735 -3.121 -17.551 1.00 28.18 O ATOM 1528 CB LYS C 80 34.043 -2.718 -14.603 1.00 23.87 C ATOM 1529 CG LYS C 80 35.306 -3.467 -14.994 1.00 23.29 C ATOM 1530 CD LYS C 80 34.982 -4.798 -15.652 1.00 25.50 C ATOM 1531 CE LYS C 80 35.113 -5.951 -14.672 1.00 26.13 C ATOM 1532 NZ LYS C 80 34.531 -7.210 -15.213 1.00 28.60 N ATOM 0 H LYS C 80 32.855 -0.599 -14.116 1.00 24.19 H new ATOM 0 HA LYS C 80 34.332 -1.533 -16.372 1.00 24.58 H new ATOM 0 HB2 LYS C 80 34.243 -2.125 -13.711 1.00 23.87 H new ATOM 0 HB3 LYS C 80 33.269 -3.439 -14.340 1.00 23.87 H new ATOM 0 HG2 LYS C 80 35.896 -2.856 -15.677 1.00 23.29 H new ATOM 0 HG3 LYS C 80 35.919 -3.637 -14.109 1.00 23.29 H new ATOM 0 HD2 LYS C 80 33.967 -4.771 -16.050 1.00 25.50 H new ATOM 0 HD3 LYS C 80 35.651 -4.960 -16.497 1.00 25.50 H new ATOM 0 HE2 LYS C 80 36.165 -6.110 -14.437 1.00 26.13 H new ATOM 0 HE3 LYS C 80 34.613 -5.692 -13.738 1.00 26.13 H new ATOM 0 HZ1 LYS C 80 34.641 -7.972 -14.514 1.00 28.60 H new ATOM 0 HZ2 LYS C 80 33.521 -7.067 -15.414 1.00 28.60 H new ATOM 0 HZ3 LYS C 80 35.024 -7.472 -16.090 1.00 28.60 H new ATOM 1546 N THR C 81 31.204 -2.460 -16.041 1.00 28.80 N ATOM 1547 CA THR C 81 30.090 -3.110 -16.724 1.00 31.49 C ATOM 1548 C THR C 81 29.970 -2.611 -18.159 1.00 32.39 C ATOM 1549 O THR C 81 30.381 -3.289 -19.101 1.00 31.68 O ATOM 1550 CB THR C 81 28.784 -2.854 -15.973 1.00 32.51 C ATOM 1551 OG1 THR C 81 28.952 -1.833 -15.006 1.00 30.67 O ATOM 1552 CG2 THR C 81 28.255 -4.079 -15.258 1.00 33.52 C ATOM 0 H THR C 81 30.945 -1.967 -15.186 1.00 28.80 H new ATOM 0 HA THR C 81 30.284 -4.182 -16.744 1.00 31.49 H new ATOM 0 HB THR C 81 28.065 -2.559 -16.738 1.00 32.51 H new ATOM 0 HG1 THR C 81 29.182 -0.992 -15.454 1.00 30.67 H new ATOM 0 HG21 THR C 81 27.326 -3.828 -14.745 1.00 33.52 H new ATOM 0 HG22 THR C 81 28.067 -4.871 -15.983 1.00 33.52 H new ATOM 0 HG23 THR C 81 28.990 -4.421 -14.530 1.00 33.52 H new ATOM 1616 N ASP D 54 26.061 6.935 -17.109 1.00 33.12 N ATOM 1617 CA ASP D 54 25.082 6.503 -16.118 1.00 31.34 C ATOM 1618 C ASP D 54 25.771 5.845 -14.927 1.00 30.10 C ATOM 1619 O ASP D 54 25.260 5.873 -13.807 1.00 29.53 O ATOM 1620 CB ASP D 54 24.084 5.527 -16.746 1.00 31.88 C ATOM 1621 CG ASP D 54 22.686 6.108 -16.834 1.00 31.09 C ATOM 1622 OD1 ASP D 54 22.560 7.305 -17.169 1.00 32.15 O ATOM 1623 OD2 ASP D 54 21.717 5.367 -16.566 1.00 29.61 O ATOM 0 HA ASP D 54 24.545 7.384 -15.766 1.00 31.34 H new ATOM 0 HB2 ASP D 54 24.425 5.255 -17.745 1.00 31.88 H new ATOM 0 HB3 ASP D 54 24.057 4.610 -16.158 1.00 31.88 H new ATOM 1628 N ALA D 55 26.936 5.255 -15.177 1.00 29.83 N ATOM 1629 CA ALA D 55 27.698 4.592 -14.127 1.00 28.77 C ATOM 1630 C ALA D 55 27.986 5.546 -12.972 1.00 27.76 C ATOM 1631 O ALA D 55 27.921 5.161 -11.805 1.00 26.59 O ATOM 1632 CB ALA D 55 28.996 4.034 -14.692 1.00 29.44 C ATOM 0 H ALA D 55 27.372 5.223 -16.098 1.00 29.83 H new ATOM 0 HA ALA D 55 27.099 3.768 -13.740 1.00 28.77 H new ATOM 0 HB1 ALA D 55 29.556 3.541 -13.898 1.00 29.44 H new ATOM 0 HB2 ALA D 55 28.771 3.313 -15.478 1.00 29.44 H new ATOM 0 HB3 ALA D 55 29.592 4.847 -15.106 1.00 29.44 H new ATOM 1638 N GLU D 56 28.303 6.792 -13.308 1.00 28.28 N ATOM 1639 CA GLU D 56 28.599 7.803 -12.299 1.00 27.47 C ATOM 1640 C GLU D 56 27.344 8.170 -11.515 1.00 26.82 C ATOM 1641 O GLU D 56 27.381 8.312 -10.294 1.00 27.56 O ATOM 1642 CB GLU D 56 29.191 9.052 -12.953 1.00 28.37 C ATOM 1643 CG GLU D 56 30.620 9.343 -12.526 1.00 30.77 C ATOM 1644 CD GLU D 56 31.154 10.633 -13.118 1.00 32.20 C ATOM 1645 OE1 GLU D 56 30.998 10.834 -14.341 1.00 33.85 O ATOM 1646 OE2 GLU D 56 31.729 11.441 -12.359 1.00 31.75 O ATOM 0 H GLU D 56 28.362 7.126 -14.270 1.00 28.28 H new ATOM 0 HA GLU D 56 29.330 7.386 -11.606 1.00 27.47 H new ATOM 0 HB2 GLU D 56 29.161 8.934 -14.036 1.00 28.37 H new ATOM 0 HB3 GLU D 56 28.566 9.911 -12.709 1.00 28.37 H new ATOM 0 HG2 GLU D 56 30.666 9.400 -11.438 1.00 30.77 H new ATOM 0 HG3 GLU D 56 31.262 8.516 -12.829 1.00 30.77 H new ATOM 1653 N ARG D 57 26.232 8.321 -12.229 1.00 25.64 N ATOM 1654 CA ARG D 57 24.963 8.668 -11.600 1.00 25.22 C ATOM 1655 C ARG D 57 24.520 7.572 -10.637 1.00 23.63 C ATOM 1656 O ARG D 57 23.913 7.847 -9.603 1.00 23.64 O ATOM 1657 CB ARG D 57 23.887 8.897 -12.664 1.00 24.97 C ATOM 1658 CG ARG D 57 24.252 9.968 -13.678 1.00 25.18 C ATOM 1659 CD ARG D 57 23.104 10.942 -13.898 1.00 25.28 C ATOM 1660 NE ARG D 57 21.918 10.277 -14.430 1.00 24.31 N ATOM 1661 CZ ARG D 57 20.764 10.898 -14.652 1.00 23.19 C ATOM 1662 NH1 ARG D 57 20.643 12.192 -14.388 1.00 22.98 N ATOM 1663 NH2 ARG D 57 19.730 10.226 -15.140 1.00 22.42 N ATOM 0 H ARG D 57 26.185 8.209 -13.242 1.00 25.64 H new ATOM 0 HA ARG D 57 25.104 9.589 -11.035 1.00 25.22 H new ATOM 0 HB2 ARG D 57 23.702 7.960 -13.189 1.00 24.97 H new ATOM 0 HB3 ARG D 57 22.955 9.177 -12.172 1.00 24.97 H new ATOM 0 HG2 ARG D 57 25.131 10.512 -13.333 1.00 25.18 H new ATOM 0 HG3 ARG D 57 24.519 9.498 -14.625 1.00 25.18 H new ATOM 0 HD2 ARG D 57 22.855 11.428 -12.955 1.00 25.28 H new ATOM 0 HD3 ARG D 57 23.420 11.726 -14.587 1.00 25.28 H new ATOM 0 HE ARG D 57 21.978 9.281 -14.643 1.00 24.31 H new ATOM 0 HH11 ARG D 57 21.436 12.713 -14.014 1.00 22.98 H new ATOM 0 HH12 ARG D 57 19.757 12.667 -14.559 1.00 22.98 H new ATOM 0 HH21 ARG D 57 19.820 9.231 -15.346 1.00 22.42 H new ATOM 0 HH22 ARG D 57 18.845 10.704 -15.310 1.00 22.42 H new ATOM 1677 N LEU D 58 24.830 6.327 -10.985 1.00 22.38 N ATOM 1678 CA LEU D 58 24.467 5.186 -10.152 1.00 21.04 C ATOM 1679 C LEU D 58 25.304 5.159 -8.879 1.00 19.40 C ATOM 1680 O LEU D 58 24.772 5.072 -7.773 1.00 17.43 O ATOM 1681 CB LEU D 58 24.657 3.881 -10.927 1.00 21.72 C ATOM 1682 CG LEU D 58 23.719 3.693 -12.121 1.00 21.51 C ATOM 1683 CD1 LEU D 58 24.141 2.489 -12.948 1.00 20.68 C ATOM 1684 CD2 LEU D 58 22.282 3.541 -11.649 1.00 21.33 C ATOM 0 H LEU D 58 25.332 6.083 -11.839 1.00 22.38 H new ATOM 0 HA LEU D 58 23.417 5.287 -9.876 1.00 21.04 H new ATOM 0 HB2 LEU D 58 25.686 3.834 -11.282 1.00 21.72 H new ATOM 0 HB3 LEU D 58 24.518 3.046 -10.241 1.00 21.72 H new ATOM 0 HG LEU D 58 23.782 4.580 -12.752 1.00 21.51 H new ATOM 0 HD11 LEU D 58 23.462 2.372 -13.793 1.00 20.68 H new ATOM 0 HD12 LEU D 58 25.156 2.638 -13.316 1.00 20.68 H new ATOM 0 HD13 LEU D 58 24.108 1.593 -12.329 1.00 20.68 H new ATOM 0 HD21 LEU D 58 21.628 3.408 -12.511 1.00 21.33 H new ATOM 0 HD22 LEU D 58 22.203 2.671 -10.996 1.00 21.33 H new ATOM 0 HD23 LEU D 58 21.983 4.434 -11.101 1.00 21.33 H new ATOM 1696 N ALA D 59 26.618 5.236 -9.049 1.00 20.38 N ATOM 1697 CA ALA D 59 27.538 5.222 -7.918 1.00 19.16 C ATOM 1698 C ALA D 59 27.131 6.248 -6.866 1.00 18.19 C ATOM 1699 O ALA D 59 27.351 6.046 -5.672 1.00 18.57 O ATOM 1700 CB ALA D 59 28.958 5.486 -8.394 1.00 19.45 C ATOM 0 H ALA D 59 27.071 5.309 -9.960 1.00 20.38 H new ATOM 0 HA ALA D 59 27.497 4.235 -7.458 1.00 19.16 H new ATOM 0 HB1 ALA D 59 29.636 5.473 -7.541 1.00 19.45 H new ATOM 0 HB2 ALA D 59 29.253 4.713 -9.104 1.00 19.45 H new ATOM 0 HB3 ALA D 59 29.004 6.461 -8.879 1.00 19.45 H new ATOM 1706 N ASP D 60 26.536 7.348 -7.315 1.00 17.16 N ATOM 1707 CA ASP D 60 26.099 8.405 -6.408 1.00 16.24 C ATOM 1708 C ASP D 60 24.753 8.060 -5.779 1.00 13.29 C ATOM 1709 O ASP D 60 24.597 8.105 -4.559 1.00 12.36 O ATOM 1710 CB ASP D 60 26.001 9.738 -7.152 1.00 17.02 C ATOM 1711 CG ASP D 60 25.620 10.885 -6.237 1.00 17.88 C ATOM 1712 OD1 ASP D 60 25.176 10.616 -5.100 1.00 17.91 O ATOM 1713 OD2 ASP D 60 25.766 12.052 -6.656 1.00 18.69 O ATOM 0 H ASP D 60 26.345 7.531 -8.300 1.00 17.16 H new ATOM 0 HA ASP D 60 26.839 8.495 -5.613 1.00 16.24 H new ATOM 0 HB2 ASP D 60 26.958 9.957 -7.626 1.00 17.02 H new ATOM 0 HB3 ASP D 60 25.263 9.652 -7.949 1.00 17.02 H new ATOM 1718 N GLU D 61 23.784 7.717 -6.621 1.00 12.16 N ATOM 1719 CA GLU D 61 22.452 7.366 -6.146 1.00 9.35 C ATOM 1720 C GLU D 61 22.512 6.176 -5.193 1.00 8.63 C ATOM 1721 O GLU D 61 21.828 6.152 -4.170 1.00 7.45 O ATOM 1722 CB GLU D 61 21.537 7.044 -7.331 1.00 8.77 C ATOM 1723 CG GLU D 61 20.175 6.512 -6.920 1.00 8.86 C ATOM 1724 CD GLU D 61 19.355 7.534 -6.158 1.00 8.36 C ATOM 1725 OE1 GLU D 61 18.681 8.360 -6.810 1.00 10.25 O ATOM 1726 OE2 GLU D 61 19.386 7.509 -4.910 1.00 6.36 O ATOM 0 H GLU D 61 23.896 7.675 -7.634 1.00 12.16 H new ATOM 0 HA GLU D 61 22.046 8.220 -5.604 1.00 9.35 H new ATOM 0 HB2 GLU D 61 21.401 7.945 -7.929 1.00 8.77 H new ATOM 0 HB3 GLU D 61 22.028 6.309 -7.969 1.00 8.77 H new ATOM 0 HG2 GLU D 61 19.627 6.202 -7.810 1.00 8.86 H new ATOM 0 HG3 GLU D 61 20.307 5.624 -6.302 1.00 8.86 H new ATOM 1733 N GLN D 62 23.334 5.189 -5.537 1.00 9.76 N ATOM 1734 CA GLN D 62 23.483 3.997 -4.715 1.00 9.34 C ATOM 1735 C GLN D 62 24.278 4.298 -3.447 1.00 10.53 C ATOM 1736 O GLN D 62 23.933 3.829 -2.363 1.00 10.78 O ATOM 1737 CB GLN D 62 24.174 2.890 -5.514 1.00 8.54 C ATOM 1738 CG GLN D 62 23.230 2.086 -6.394 1.00 7.53 C ATOM 1739 CD GLN D 62 22.207 2.946 -7.113 1.00 5.57 C ATOM 1740 OE1 GLN D 62 21.501 3.741 -6.494 1.00 5.00 O ATOM 1741 NE2 GLN D 62 22.121 2.786 -8.428 1.00 5.65 N ATOM 0 H GLN D 62 23.907 5.193 -6.381 1.00 9.76 H new ATOM 0 HA GLN D 62 22.488 3.662 -4.422 1.00 9.34 H new ATOM 0 HB2 GLN D 62 24.948 3.335 -6.139 1.00 8.54 H new ATOM 0 HB3 GLN D 62 24.674 2.213 -4.821 1.00 8.54 H new ATOM 0 HG2 GLN D 62 23.813 1.533 -7.131 1.00 7.53 H new ATOM 0 HG3 GLN D 62 22.710 1.350 -5.781 1.00 7.53 H new ATOM 0 HE21 GLN D 62 22.726 2.115 -8.901 1.00 5.65 H new ATOM 0 HE22 GLN D 62 21.449 3.334 -8.966 1.00 5.65 H new ATOM 1750 N SER D 63 25.346 5.079 -3.589 1.00 11.46 N ATOM 1751 CA SER D 63 26.185 5.437 -2.451 1.00 12.70 C ATOM 1752 C SER D 63 25.416 6.300 -1.458 1.00 11.91 C ATOM 1753 O SER D 63 25.314 5.965 -0.277 1.00 10.68 O ATOM 1754 CB SER D 63 27.439 6.176 -2.922 1.00 15.71 C ATOM 1755 OG SER D 63 27.103 7.407 -3.536 1.00 16.63 O ATOM 0 H SER D 63 25.649 5.475 -4.479 1.00 11.46 H new ATOM 0 HA SER D 63 26.483 4.516 -1.951 1.00 12.70 H new ATOM 0 HB2 SER D 63 28.099 6.357 -2.073 1.00 15.71 H new ATOM 0 HB3 SER D 63 27.990 5.553 -3.627 1.00 15.71 H new ATOM 0 HG SER D 63 27.349 7.377 -4.484 1.00 16.63 H new ATOM 1761 N GLU D 64 24.872 7.413 -1.942 1.00 13.06 N ATOM 1762 CA GLU D 64 24.111 8.321 -1.095 1.00 13.48 C ATOM 1763 C GLU D 64 23.051 7.561 -0.302 1.00 11.12 C ATOM 1764 O GLU D 64 22.782 7.876 0.857 1.00 11.28 O ATOM 1765 CB GLU D 64 23.458 9.416 -1.946 1.00 15.25 C ATOM 1766 CG GLU D 64 22.216 8.960 -2.698 1.00 14.17 C ATOM 1767 CD GLU D 64 21.463 10.113 -3.332 1.00 16.09 C ATOM 1768 OE1 GLU D 64 22.121 11.067 -3.799 1.00 18.41 O ATOM 1769 OE2 GLU D 64 20.216 10.063 -3.361 1.00 15.28 O ATOM 0 H GLU D 64 24.945 7.706 -2.916 1.00 13.06 H new ATOM 0 HA GLU D 64 24.796 8.788 -0.387 1.00 13.48 H new ATOM 0 HB2 GLU D 64 23.192 10.253 -1.300 1.00 15.25 H new ATOM 0 HB3 GLU D 64 24.189 9.787 -2.664 1.00 15.25 H new ATOM 0 HG2 GLU D 64 22.505 8.250 -3.473 1.00 14.17 H new ATOM 0 HG3 GLU D 64 21.554 8.432 -2.012 1.00 14.17 H new ATOM 1776 N LEU D 65 22.459 6.554 -0.936 1.00 9.56 N ATOM 1777 CA LEU D 65 21.435 5.743 -0.291 1.00 7.62 C ATOM 1778 C LEU D 65 21.998 5.060 0.951 1.00 6.04 C ATOM 1779 O LEU D 65 21.360 5.040 2.003 1.00 5.29 O ATOM 1780 CB LEU D 65 20.894 4.695 -1.265 1.00 8.01 C ATOM 1781 CG LEU D 65 19.420 4.336 -1.074 1.00 9.06 C ATOM 1782 CD1 LEU D 65 18.727 4.193 -2.420 1.00 9.80 C ATOM 1783 CD2 LEU D 65 19.285 3.056 -0.262 1.00 7.98 C ATOM 0 H LEU D 65 22.671 6.281 -1.896 1.00 9.56 H new ATOM 0 HA LEU D 65 20.618 6.398 0.011 1.00 7.62 H new ATOM 0 HB2 LEU D 65 21.035 5.059 -2.283 1.00 8.01 H new ATOM 0 HB3 LEU D 65 21.489 3.787 -1.166 1.00 8.01 H new ATOM 0 HG LEU D 65 18.936 5.144 -0.525 1.00 9.06 H new ATOM 0 HD11 LEU D 65 17.679 3.937 -2.264 1.00 9.80 H new ATOM 0 HD12 LEU D 65 18.794 5.134 -2.965 1.00 9.80 H new ATOM 0 HD13 LEU D 65 19.211 3.405 -2.996 1.00 9.80 H new ATOM 0 HD21 LEU D 65 18.230 2.815 -0.135 1.00 7.98 H new ATOM 0 HD22 LEU D 65 19.784 2.239 -0.784 1.00 7.98 H new ATOM 0 HD23 LEU D 65 19.745 3.195 0.716 1.00 7.98 H new ATOM 1795 N VAL D 66 23.199 4.507 0.821 1.00 6.24 N ATOM 1796 CA VAL D 66 23.851 3.829 1.934 1.00 6.34 C ATOM 1797 C VAL D 66 23.977 4.759 3.134 1.00 6.63 C ATOM 1798 O VAL D 66 23.920 4.320 4.283 1.00 6.84 O ATOM 1799 CB VAL D 66 25.252 3.324 1.543 1.00 7.38 C ATOM 1800 CG1 VAL D 66 25.896 2.579 2.702 1.00 8.50 C ATOM 1801 CG2 VAL D 66 25.176 2.438 0.308 1.00 7.45 C ATOM 0 H VAL D 66 23.740 4.515 -0.044 1.00 6.24 H new ATOM 0 HA VAL D 66 23.228 2.974 2.197 1.00 6.34 H new ATOM 0 HB VAL D 66 25.874 4.187 1.306 1.00 7.38 H new ATOM 0 HG11 VAL D 66 26.885 2.230 2.406 1.00 8.50 H new ATOM 0 HG12 VAL D 66 25.988 3.248 3.558 1.00 8.50 H new ATOM 0 HG13 VAL D 66 25.277 1.724 2.974 1.00 8.50 H new ATOM 0 HG21 VAL D 66 26.176 2.091 0.047 1.00 7.45 H new ATOM 0 HG22 VAL D 66 24.536 1.580 0.515 1.00 7.45 H new ATOM 0 HG23 VAL D 66 24.761 3.008 -0.524 1.00 7.45 H new ATOM 1811 N LYS D 67 24.145 6.049 2.859 1.00 7.16 N ATOM 1812 CA LYS D 67 24.278 7.046 3.914 1.00 7.60 C ATOM 1813 C LYS D 67 23.018 7.099 4.769 1.00 7.06 C ATOM 1814 O LYS D 67 23.079 6.964 5.991 1.00 7.08 O ATOM 1815 CB LYS D 67 24.557 8.424 3.310 1.00 8.04 C ATOM 1816 CG LYS D 67 25.615 9.215 4.062 1.00 10.51 C ATOM 1817 CD LYS D 67 25.985 10.492 3.324 1.00 10.54 C ATOM 1818 CE LYS D 67 24.812 11.459 3.261 1.00 11.20 C ATOM 1819 NZ LYS D 67 24.316 11.642 1.869 1.00 8.96 N ATOM 0 H LYS D 67 24.192 6.428 1.913 1.00 7.16 H new ATOM 0 HA LYS D 67 25.116 6.760 4.549 1.00 7.60 H new ATOM 0 HB2 LYS D 67 24.875 8.300 2.275 1.00 8.04 H new ATOM 0 HB3 LYS D 67 23.631 8.998 3.292 1.00 8.04 H new ATOM 0 HG2 LYS D 67 25.247 9.463 5.058 1.00 10.51 H new ATOM 0 HG3 LYS D 67 26.505 8.600 4.195 1.00 10.51 H new ATOM 0 HD2 LYS D 67 26.827 10.971 3.824 1.00 10.54 H new ATOM 0 HD3 LYS D 67 26.311 10.248 2.313 1.00 10.54 H new ATOM 0 HE2 LYS D 67 24.002 11.088 3.889 1.00 11.20 H new ATOM 0 HE3 LYS D 67 25.115 12.424 3.668 1.00 11.20 H new ATOM 0 HZ1 LYS D 67 23.517 12.308 1.870 1.00 8.96 H new ATOM 0 HZ2 LYS D 67 25.081 12.020 1.275 1.00 8.96 H new ATOM 0 HZ3 LYS D 67 24.003 10.726 1.489 1.00 8.96 H new ATOM 1833 N LYS D 68 21.875 7.294 4.121 1.00 7.35 N ATOM 1834 CA LYS D 68 20.601 7.360 4.826 1.00 7.53 C ATOM 1835 C LYS D 68 20.360 6.080 5.619 1.00 7.97 C ATOM 1836 O LYS D 68 19.776 6.108 6.702 1.00 8.45 O ATOM 1837 CB LYS D 68 19.455 7.584 3.839 1.00 6.87 C ATOM 1838 CG LYS D 68 18.489 8.677 4.267 1.00 7.88 C ATOM 1839 CD LYS D 68 17.322 8.797 3.301 1.00 8.97 C ATOM 1840 CE LYS D 68 16.244 9.721 3.843 1.00 9.36 C ATOM 1841 NZ LYS D 68 15.479 10.382 2.751 1.00 10.19 N ATOM 0 H LYS D 68 21.805 7.409 3.110 1.00 7.35 H new ATOM 0 HA LYS D 68 20.639 8.200 5.519 1.00 7.53 H new ATOM 0 HB2 LYS D 68 19.871 7.839 2.864 1.00 6.87 H new ATOM 0 HB3 LYS D 68 18.904 6.651 3.717 1.00 6.87 H new ATOM 0 HG2 LYS D 68 18.114 8.462 5.268 1.00 7.88 H new ATOM 0 HG3 LYS D 68 19.016 9.629 4.322 1.00 7.88 H new ATOM 0 HD2 LYS D 68 17.679 9.175 2.343 1.00 8.97 H new ATOM 0 HD3 LYS D 68 16.898 7.810 3.117 1.00 8.97 H new ATOM 0 HE2 LYS D 68 15.560 9.151 4.472 1.00 9.36 H new ATOM 0 HE3 LYS D 68 16.702 10.481 4.477 1.00 9.36 H new ATOM 0 HZ1 LYS D 68 14.754 11.004 3.162 1.00 10.19 H new ATOM 0 HZ2 LYS D 68 16.127 10.947 2.166 1.00 10.19 H new ATOM 0 HZ3 LYS D 68 15.021 9.658 2.161 1.00 10.19 H new ATOM 1855 N MET D 69 20.817 4.960 5.071 1.00 7.96 N ATOM 1856 CA MET D 69 20.656 3.667 5.722 1.00 8.48 C ATOM 1857 C MET D 69 21.547 3.568 6.956 1.00 9.35 C ATOM 1858 O MET D 69 21.088 3.205 8.039 1.00 11.03 O ATOM 1859 CB MET D 69 20.990 2.539 4.744 1.00 7.82 C ATOM 1860 CG MET D 69 20.655 1.156 5.272 1.00 9.04 C ATOM 1861 SD MET D 69 21.453 -0.156 4.326 1.00 8.14 S ATOM 1862 CE MET D 69 23.162 0.373 4.394 1.00 6.00 C ATOM 0 H MET D 69 21.303 4.922 4.175 1.00 7.96 H new ATOM 0 HA MET D 69 19.617 3.570 6.037 1.00 8.48 H new ATOM 0 HB2 MET D 69 20.447 2.704 3.813 1.00 7.82 H new ATOM 0 HB3 MET D 69 22.053 2.580 4.505 1.00 7.82 H new ATOM 0 HG2 MET D 69 20.961 1.085 6.316 1.00 9.04 H new ATOM 0 HG3 MET D 69 19.575 1.013 5.246 1.00 9.04 H new ATOM 0 HE1 MET D 69 23.814 -0.478 4.198 1.00 6.00 H new ATOM 0 HE2 MET D 69 23.335 1.143 3.642 1.00 6.00 H new ATOM 0 HE3 MET D 69 23.379 0.776 5.383 1.00 6.00 H new ATOM 1872 N VAL D 70 22.823 3.897 6.785 1.00 8.56 N ATOM 1873 CA VAL D 70 23.777 3.849 7.885 1.00 9.21 C ATOM 1874 C VAL D 70 23.561 5.014 8.847 1.00 10.66 C ATOM 1875 O VAL D 70 23.944 4.946 10.015 1.00 10.56 O ATOM 1876 CB VAL D 70 25.229 3.871 7.370 1.00 9.25 C ATOM 1877 CG1 VAL D 70 26.215 3.855 8.529 1.00 9.08 C ATOM 1878 CG2 VAL D 70 25.477 2.696 6.436 1.00 8.91 C ATOM 0 H VAL D 70 23.220 4.200 5.895 1.00 8.56 H new ATOM 0 HA VAL D 70 23.608 2.912 8.416 1.00 9.21 H new ATOM 0 HB VAL D 70 25.381 4.795 6.812 1.00 9.25 H new ATOM 0 HG11 VAL D 70 27.233 3.871 8.141 1.00 9.08 H new ATOM 0 HG12 VAL D 70 26.052 4.731 9.157 1.00 9.08 H new ATOM 0 HG13 VAL D 70 26.066 2.952 9.121 1.00 9.08 H new ATOM 0 HG21 VAL D 70 26.507 2.725 6.080 1.00 8.91 H new ATOM 0 HG22 VAL D 70 25.304 1.763 6.972 1.00 8.91 H new ATOM 0 HG23 VAL D 70 24.798 2.757 5.586 1.00 8.91 H new ATOM 1888 N PHE D 71 22.941 6.082 8.351 1.00 12.45 N ATOM 1889 CA PHE D 71 22.671 7.256 9.169 1.00 13.99 C ATOM 1890 C PHE D 71 21.701 6.914 10.295 1.00 16.67 C ATOM 1891 O PHE D 71 21.877 7.345 11.434 1.00 17.95 O ATOM 1892 CB PHE D 71 22.098 8.384 8.309 1.00 14.37 C ATOM 1893 CG PHE D 71 21.762 9.623 9.091 1.00 13.94 C ATOM 1894 CD1 PHE D 71 22.777 10.460 9.572 1.00 13.01 C ATOM 1895 CD2 PHE D 71 20.425 9.962 9.351 1.00 14.59 C ATOM 1896 CE1 PHE D 71 22.468 11.612 10.300 1.00 12.68 C ATOM 1897 CE2 PHE D 71 20.110 11.113 10.077 1.00 14.25 C ATOM 1898 CZ PHE D 71 21.132 11.940 10.553 1.00 13.26 C ATOM 0 H PHE D 71 22.617 6.156 7.387 1.00 12.45 H new ATOM 0 HA PHE D 71 23.611 7.590 9.608 1.00 13.99 H new ATOM 0 HB2 PHE D 71 22.818 8.639 7.531 1.00 14.37 H new ATOM 0 HB3 PHE D 71 21.199 8.026 7.806 1.00 14.37 H new ATOM 0 HD1 PHE D 71 23.810 10.212 9.378 1.00 13.01 H new ATOM 0 HD2 PHE D 71 19.632 9.326 8.986 1.00 14.59 H new ATOM 0 HE1 PHE D 71 23.260 12.248 10.667 1.00 12.68 H new ATOM 0 HE2 PHE D 71 19.078 11.364 10.271 1.00 14.25 H new ATOM 0 HZ PHE D 71 20.890 12.830 11.115 1.00 13.26 H new ATOM 1908 N ASP D 72 20.678 6.132 9.966 1.00 17.76 N ATOM 1909 CA ASP D 72 19.682 5.726 10.950 1.00 20.31 C ATOM 1910 C ASP D 72 20.287 4.751 11.955 1.00 20.35 C ATOM 1911 O ASP D 72 20.050 4.859 13.158 1.00 20.42 O ATOM 1912 CB ASP D 72 18.478 5.084 10.258 1.00 21.52 C ATOM 1913 CG ASP D 72 17.375 4.723 11.233 1.00 22.66 C ATOM 1914 OD1 ASP D 72 16.832 5.641 11.882 1.00 22.95 O ATOM 1915 OD2 ASP D 72 17.055 3.520 11.348 1.00 23.38 O ATOM 0 H ASP D 72 20.517 5.767 9.027 1.00 17.76 H new ATOM 0 HA ASP D 72 19.348 6.616 11.484 1.00 20.31 H new ATOM 0 HB2 ASP D 72 18.085 5.770 9.508 1.00 21.52 H new ATOM 0 HB3 ASP D 72 18.801 4.186 9.731 1.00 21.52 H new ATOM 1920 N THR D 73 21.071 3.803 11.454 1.00 20.47 N ATOM 1921 CA THR D 73 21.714 2.813 12.309 1.00 20.73 C ATOM 1922 C THR D 73 22.529 3.490 13.406 1.00 22.45 C ATOM 1923 O THR D 73 22.315 3.245 14.594 1.00 24.16 O ATOM 1924 CB THR D 73 22.616 1.900 11.478 1.00 18.58 C ATOM 1925 OG1 THR D 73 21.874 1.255 10.458 1.00 19.17 O ATOM 1926 CG2 THR D 73 23.299 0.827 12.298 1.00 18.15 C ATOM 0 H THR D 73 21.276 3.699 10.460 1.00 20.47 H new ATOM 0 HA THR D 73 20.934 2.213 12.778 1.00 20.73 H new ATOM 0 HB THR D 73 23.380 2.554 11.057 1.00 18.58 H new ATOM 0 HG1 THR D 73 21.691 1.891 9.735 1.00 19.17 H new ATOM 0 HG21 THR D 73 23.924 0.214 11.648 1.00 18.15 H new ATOM 0 HG22 THR D 73 23.920 1.294 13.063 1.00 18.15 H new ATOM 0 HG23 THR D 73 22.546 0.199 12.775 1.00 18.15 H new ATOM 1934 N LEU D 74 23.464 4.344 13.001 1.00 22.08 N ATOM 1935 CA LEU D 74 24.311 5.058 13.950 1.00 23.76 C ATOM 1936 C LEU D 74 23.464 5.807 14.973 1.00 25.44 C ATOM 1937 O LEU D 74 23.783 5.829 16.162 1.00 27.19 O ATOM 1938 CB LEU D 74 25.227 6.038 13.214 1.00 23.65 C ATOM 1939 CG LEU D 74 26.153 5.403 12.175 1.00 22.22 C ATOM 1940 CD1 LEU D 74 26.494 6.405 11.083 1.00 22.86 C ATOM 1941 CD2 LEU D 74 27.420 4.883 12.839 1.00 21.89 C ATOM 0 H LEU D 74 23.654 4.558 12.022 1.00 22.08 H new ATOM 0 HA LEU D 74 24.924 4.326 14.475 1.00 23.76 H new ATOM 0 HB2 LEU D 74 24.609 6.787 12.718 1.00 23.65 H new ATOM 0 HB3 LEU D 74 25.837 6.564 13.949 1.00 23.65 H new ATOM 0 HG LEU D 74 25.634 4.561 11.718 1.00 22.22 H new ATOM 0 HD11 LEU D 74 27.153 5.937 10.352 1.00 22.86 H new ATOM 0 HD12 LEU D 74 25.578 6.731 10.589 1.00 22.86 H new ATOM 0 HD13 LEU D 74 26.995 7.267 11.524 1.00 22.86 H new ATOM 0 HD21 LEU D 74 28.068 4.434 12.086 1.00 21.89 H new ATOM 0 HD22 LEU D 74 27.943 5.709 13.322 1.00 21.89 H new ATOM 0 HD23 LEU D 74 27.158 4.133 13.585 1.00 21.89 H new ATOM 1953 N LYS D 75 22.380 6.418 14.504 1.00 25.02 N ATOM 1954 CA LYS D 75 21.485 7.165 15.379 1.00 26.59 C ATOM 1955 C LYS D 75 21.082 6.321 16.582 1.00 27.06 C ATOM 1956 O LYS D 75 21.016 6.814 17.708 1.00 28.20 O ATOM 1957 CB LYS D 75 20.239 7.609 14.611 1.00 26.38 C ATOM 1958 CG LYS D 75 19.334 8.537 15.404 1.00 26.25 C ATOM 1959 CD LYS D 75 19.887 9.953 15.446 1.00 25.64 C ATOM 1960 CE LYS D 75 19.199 10.850 14.431 1.00 26.43 C ATOM 1961 NZ LYS D 75 18.106 11.652 15.049 1.00 28.00 N ATOM 0 H LYS D 75 22.101 6.410 13.523 1.00 25.02 H new ATOM 0 HA LYS D 75 22.015 8.049 15.735 1.00 26.59 H new ATOM 0 HB2 LYS D 75 20.547 8.112 13.694 1.00 26.38 H new ATOM 0 HB3 LYS D 75 19.671 6.727 14.315 1.00 26.38 H new ATOM 0 HG2 LYS D 75 18.340 8.547 14.957 1.00 26.25 H new ATOM 0 HG3 LYS D 75 19.223 8.158 16.420 1.00 26.25 H new ATOM 0 HD2 LYS D 75 19.756 10.366 16.446 1.00 25.64 H new ATOM 0 HD3 LYS D 75 20.959 9.932 15.247 1.00 25.64 H new ATOM 0 HE2 LYS D 75 19.932 11.520 13.983 1.00 26.43 H new ATOM 0 HE3 LYS D 75 18.791 10.240 13.625 1.00 26.43 H new ATOM 0 HZ1 LYS D 75 17.662 12.251 14.324 1.00 28.00 H new ATOM 0 HZ2 LYS D 75 17.393 11.013 15.454 1.00 28.00 H new ATOM 0 HZ3 LYS D 75 18.499 12.253 15.801 1.00 28.00 H new ATOM 1975 N ASP D 76 20.818 5.043 16.335 1.00 26.27 N ATOM 1976 CA ASP D 76 20.428 4.122 17.392 1.00 26.75 C ATOM 1977 C ASP D 76 21.651 3.634 18.161 1.00 27.10 C ATOM 1978 O ASP D 76 21.554 3.259 19.329 1.00 28.15 O ATOM 1979 CB ASP D 76 19.668 2.931 16.804 1.00 25.50 C ATOM 1980 CG ASP D 76 18.190 3.221 16.625 1.00 26.43 C ATOM 1981 OD1 ASP D 76 17.859 4.223 15.958 1.00 26.38 O ATOM 1982 OD2 ASP D 76 17.365 2.445 17.151 1.00 27.41 O ATOM 0 H ASP D 76 20.868 4.621 15.408 1.00 26.27 H new ATOM 0 HA ASP D 76 19.774 4.653 18.084 1.00 26.75 H new ATOM 0 HB2 ASP D 76 20.103 2.666 15.840 1.00 25.50 H new ATOM 0 HB3 ASP D 76 19.790 2.067 17.457 1.00 25.50 H new ATOM 1987 N LEU D 77 22.802 3.642 17.495 1.00 26.26 N ATOM 1988 CA LEU D 77 24.048 3.202 18.109 1.00 26.50 C ATOM 1989 C LEU D 77 24.493 4.173 19.198 1.00 27.83 C ATOM 1990 O LEU D 77 25.045 3.765 20.220 1.00 28.37 O ATOM 1991 CB LEU D 77 25.140 3.073 17.046 1.00 25.91 C ATOM 1992 CG LEU D 77 25.094 1.789 16.219 1.00 26.12 C ATOM 1993 CD1 LEU D 77 25.975 1.914 14.985 1.00 23.95 C ATOM 1994 CD2 LEU D 77 25.522 0.598 17.063 1.00 27.49 C ATOM 0 H LEU D 77 22.896 3.950 16.527 1.00 26.26 H new ATOM 0 HA LEU D 77 23.876 2.228 18.568 1.00 26.50 H new ATOM 0 HB2 LEU D 77 25.069 3.925 16.370 1.00 25.91 H new ATOM 0 HB3 LEU D 77 26.111 3.136 17.536 1.00 25.91 H new ATOM 0 HG LEU D 77 24.067 1.628 15.890 1.00 26.12 H new ATOM 0 HD11 LEU D 77 25.929 0.989 14.410 1.00 23.95 H new ATOM 0 HD12 LEU D 77 25.624 2.742 14.370 1.00 23.95 H new ATOM 0 HD13 LEU D 77 27.005 2.100 15.290 1.00 23.95 H new ATOM 0 HD21 LEU D 77 25.484 -0.309 16.459 1.00 27.49 H new ATOM 0 HD22 LEU D 77 26.540 0.753 17.421 1.00 27.49 H new ATOM 0 HD23 LEU D 77 24.850 0.495 17.915 1.00 27.49 H new ATOM 2006 N TYR D 78 24.252 5.460 18.970 1.00 28.36 N ATOM 2007 CA TYR D 78 24.630 6.491 19.928 1.00 29.62 C ATOM 2008 C TYR D 78 23.590 6.614 21.037 1.00 32.55 C ATOM 2009 O TYR D 78 23.891 6.401 22.211 1.00 34.03 O ATOM 2010 CB TYR D 78 24.791 7.835 19.217 1.00 28.61 C ATOM 2011 CG TYR D 78 26.144 8.020 18.567 1.00 26.94 C ATOM 2012 CD1 TYR D 78 27.322 7.994 19.333 1.00 25.34 C ATOM 2013 CD2 TYR D 78 26.257 8.224 17.181 1.00 26.99 C ATOM 2014 CE1 TYR D 78 28.574 8.167 18.737 1.00 23.86 C ATOM 2015 CE2 TYR D 78 27.505 8.396 16.576 1.00 25.51 C ATOM 2016 CZ TYR D 78 28.659 8.367 17.359 1.00 23.96 C ATOM 2017 OH TYR D 78 29.890 8.538 16.767 1.00 22.58 O ATOM 0 H TYR D 78 23.796 5.813 18.129 1.00 28.36 H new ATOM 0 HA TYR D 78 25.581 6.204 20.378 1.00 29.62 H new ATOM 0 HB2 TYR D 78 24.016 7.929 18.456 1.00 28.61 H new ATOM 0 HB3 TYR D 78 24.630 8.638 19.936 1.00 28.61 H new ATOM 0 HD1 TYR D 78 27.259 7.838 20.400 1.00 25.34 H new ATOM 0 HD2 TYR D 78 25.364 8.248 16.573 1.00 26.99 H new ATOM 0 HE1 TYR D 78 29.470 8.146 19.339 1.00 23.86 H new ATOM 0 HE2 TYR D 78 27.575 8.550 15.509 1.00 25.51 H new ATOM 0 HH TYR D 78 29.805 8.426 15.797 1.00 22.58 H new ATOM 2027 N LYS D 79 22.365 6.961 20.656 1.00 33.53 N ATOM 2028 CA LYS D 79 21.278 7.115 21.616 1.00 36.33 C ATOM 2029 C LYS D 79 21.186 5.907 22.541 1.00 37.81 C ATOM 2030 O LYS D 79 20.756 6.023 23.689 1.00 39.40 O ATOM 2031 CB LYS D 79 19.949 7.314 20.884 1.00 37.34 C ATOM 2032 CG LYS D 79 19.484 6.082 20.122 1.00 36.85 C ATOM 2033 CD LYS D 79 18.218 5.496 20.727 1.00 39.42 C ATOM 2034 CE LYS D 79 17.091 5.438 19.709 1.00 40.17 C ATOM 2035 NZ LYS D 79 16.033 4.469 20.106 1.00 42.46 N ATOM 0 H LYS D 79 22.100 7.141 19.688 1.00 33.53 H new ATOM 0 HA LYS D 79 21.488 7.995 22.223 1.00 36.33 H new ATOM 0 HB2 LYS D 79 19.183 7.594 21.608 1.00 37.34 H new ATOM 0 HB3 LYS D 79 20.048 8.146 20.187 1.00 37.34 H new ATOM 0 HG2 LYS D 79 19.302 6.345 19.080 1.00 36.85 H new ATOM 0 HG3 LYS D 79 20.273 5.330 20.128 1.00 36.85 H new ATOM 0 HD2 LYS D 79 18.423 4.493 21.102 1.00 39.42 H new ATOM 0 HD3 LYS D 79 17.908 6.099 21.581 1.00 39.42 H new ATOM 0 HE2 LYS D 79 16.652 6.429 19.597 1.00 40.17 H new ATOM 0 HE3 LYS D 79 17.495 5.156 18.736 1.00 40.17 H new ATOM 0 HZ1 LYS D 79 15.283 4.459 19.386 1.00 42.46 H new ATOM 0 HZ2 LYS D 79 16.446 3.518 20.188 1.00 42.46 H new ATOM 0 HZ3 LYS D 79 15.630 4.751 21.022 1.00 42.46 H new