USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=24 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: B 73 THR OG1 : rot 80:sc= -0.734 USER MOD Set 1.2: D 62 GLN : amide:sc= -5.99! C(o=-6.7!,f=-9.7!) USER MOD Set 2.1: B 62 GLN : amide:sc= -6.07! C(o=-6.8!,f=-9.3!) USER MOD Set 2.2: D 73 THR OG1 : rot 80:sc= -0.707 USER MOD Set 3.1: A 69 MET CE :methyl 138:sc= -2.7! (180deg=-4.6) USER MOD Set 3.2: A 73 THR OG1 : rot -144:sc= 1.41 USER MOD Set 3.3: C 69 MET CE :methyl -113:sc= -2.76! (180deg=-4.69!) USER MOD Set 3.4: C 73 THR OG1 : rot -142:sc= 1.38 USER MOD Single : A 62 GLN : amide:sc= -0.994 K(o=-0.99,f=-3.2!) USER MOD Single : A 63 SER OG : rot 95:sc= 0.258 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -64:sc= -2.84 USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= -0.166 (180deg=-0.805) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -37:sc= -0.455 USER MOD Single : B 63 SER OG : rot -63:sc= -0.597 USER MOD Single : B 67 LYS NZ :NH3+ -162:sc= 0.644 (180deg=0.409) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 152:sc= -3.46 (180deg=-5.73!) USER MOD Single : B 75 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.03) USER MOD Single : B 78 TYR OH : rot 165:sc= -0.284 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.936 K(o=-0.94,f=-3.2!) USER MOD Single : C 63 SER OG : rot 96:sc= 0.239 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+ 180:sc= 0 (180deg=0) USER MOD Single : C 78 TYR OH : rot -63:sc= -2.63 USER MOD Single : C 79 LYS NZ :NH3+ -156:sc= -0.181 (180deg=-0.75) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot -71:sc= -0.257 USER MOD Single : D 63 SER OG : rot -53:sc= -0.508 USER MOD Single : D 67 LYS NZ :NH3+ -160:sc= 0.501 (180deg=0.307) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 152:sc= -3.36 (180deg=-5.68!) USER MOD Single : D 75 LYS NZ :NH3+ -117:sc= -0.0322 (180deg=-1.91!) USER MOD Single : D 78 TYR OH : rot 165:sc= -0.452 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.242 -12.547 -17.202 1.00 30.71 N ATOM 54 CA ALA A 55 24.860 -11.221 -16.737 1.00 28.26 C ATOM 55 C ALA A 55 24.164 -11.304 -15.384 1.00 26.31 C ATOM 56 O ALA A 55 24.438 -10.511 -14.483 1.00 24.75 O ATOM 57 CB ALA A 55 23.961 -10.539 -17.758 1.00 27.41 C ATOM 0 HA ALA A 55 25.765 -10.625 -16.619 1.00 28.26 H new ATOM 0 HB1 ALA A 55 23.684 -9.549 -17.395 1.00 27.41 H new ATOM 0 HB2 ALA A 55 24.493 -10.443 -18.705 1.00 27.41 H new ATOM 0 HB3 ALA A 55 23.061 -11.136 -17.906 1.00 27.41 H new ATOM 63 N GLU A 56 23.265 -12.274 -15.246 1.00 26.59 N ATOM 64 CA GLU A 56 22.535 -12.465 -13.999 1.00 25.03 C ATOM 65 C GLU A 56 23.485 -12.879 -12.883 1.00 25.29 C ATOM 66 O GLU A 56 23.496 -12.281 -11.807 1.00 25.04 O ATOM 67 CB GLU A 56 21.444 -13.521 -14.176 1.00 25.96 C ATOM 68 CG GLU A 56 20.184 -13.238 -13.373 1.00 26.01 C ATOM 69 CD GLU A 56 19.307 -14.463 -13.214 1.00 26.82 C ATOM 70 OE1 GLU A 56 18.834 -14.993 -14.242 1.00 27.77 O ATOM 71 OE2 GLU A 56 19.093 -14.895 -12.061 1.00 26.67 O ATOM 0 H GLU A 56 23.025 -12.939 -15.982 1.00 26.59 H new ATOM 0 HA GLU A 56 22.067 -11.519 -13.728 1.00 25.03 H new ATOM 0 HB2 GLU A 56 21.184 -13.588 -15.232 1.00 25.96 H new ATOM 0 HB3 GLU A 56 21.840 -14.493 -13.883 1.00 25.96 H new ATOM 0 HG2 GLU A 56 20.462 -12.864 -12.387 1.00 26.01 H new ATOM 0 HG3 GLU A 56 19.614 -12.449 -13.864 1.00 26.01 H new ATOM 78 N ARG A 57 24.288 -13.900 -13.153 1.00 25.90 N ATOM 79 CA ARG A 57 25.254 -14.392 -12.180 1.00 26.22 C ATOM 80 C ARG A 57 26.272 -13.309 -11.849 1.00 26.58 C ATOM 81 O ARG A 57 26.599 -13.080 -10.684 1.00 26.98 O ATOM 82 CB ARG A 57 25.970 -15.633 -12.719 1.00 26.21 C ATOM 83 CG ARG A 57 25.267 -16.938 -12.384 1.00 25.20 C ATOM 84 CD ARG A 57 25.917 -18.117 -13.090 1.00 25.26 C ATOM 85 NE ARG A 57 27.265 -18.376 -12.594 1.00 25.66 N ATOM 86 CZ ARG A 57 28.021 -19.388 -13.008 1.00 25.98 C ATOM 87 NH1 ARG A 57 27.559 -20.232 -13.921 1.00 25.91 N ATOM 88 NH2 ARG A 57 29.237 -19.559 -12.509 1.00 26.60 N ATOM 0 H ARG A 57 24.289 -14.404 -14.040 1.00 25.90 H new ATOM 0 HA ARG A 57 24.718 -14.662 -11.270 1.00 26.22 H new ATOM 0 HB2 ARG A 57 26.061 -15.547 -13.802 1.00 26.21 H new ATOM 0 HB3 ARG A 57 26.982 -15.662 -12.315 1.00 26.21 H new ATOM 0 HG2 ARG A 57 25.291 -17.099 -11.306 1.00 25.20 H new ATOM 0 HG3 ARG A 57 24.218 -16.872 -12.673 1.00 25.20 H new ATOM 0 HD2 ARG A 57 25.302 -19.006 -12.951 1.00 25.26 H new ATOM 0 HD3 ARG A 57 25.956 -17.921 -14.162 1.00 25.26 H new ATOM 0 HE ARG A 57 27.648 -17.745 -11.890 1.00 25.66 H new ATOM 0 HH11 ARG A 57 26.623 -20.105 -14.306 1.00 25.91 H new ATOM 0 HH12 ARG A 57 28.140 -21.008 -14.238 1.00 25.91 H new ATOM 0 HH21 ARG A 57 29.595 -18.913 -11.805 1.00 26.60 H new ATOM 0 HH22 ARG A 57 29.815 -20.336 -12.829 1.00 26.60 H new ATOM 102 N LEU A 58 26.762 -12.642 -12.887 1.00 26.46 N ATOM 103 CA LEU A 58 27.740 -11.574 -12.721 1.00 26.83 C ATOM 104 C LEU A 58 27.210 -10.497 -11.782 1.00 24.74 C ATOM 105 O LEU A 58 27.888 -10.093 -10.837 1.00 23.50 O ATOM 106 CB LEU A 58 28.087 -10.958 -14.078 1.00 27.35 C ATOM 107 CG LEU A 58 29.148 -11.714 -14.879 1.00 27.64 C ATOM 108 CD1 LEU A 58 29.521 -10.942 -16.135 1.00 27.20 C ATOM 109 CD2 LEU A 58 30.378 -11.966 -14.023 1.00 28.17 C ATOM 0 H LEU A 58 26.497 -12.823 -13.855 1.00 26.46 H new ATOM 0 HA LEU A 58 28.641 -12.003 -12.283 1.00 26.83 H new ATOM 0 HB2 LEU A 58 27.177 -10.897 -14.676 1.00 27.35 H new ATOM 0 HB3 LEU A 58 28.433 -9.937 -13.919 1.00 27.35 H new ATOM 0 HG LEU A 58 28.733 -12.676 -15.179 1.00 27.64 H new ATOM 0 HD11 LEU A 58 30.277 -11.496 -16.691 1.00 27.20 H new ATOM 0 HD12 LEU A 58 28.636 -10.811 -16.758 1.00 27.20 H new ATOM 0 HD13 LEU A 58 29.918 -9.965 -15.857 1.00 27.20 H new ATOM 0 HD21 LEU A 58 31.124 -12.505 -14.607 1.00 28.17 H new ATOM 0 HD22 LEU A 58 30.794 -11.014 -13.694 1.00 28.17 H new ATOM 0 HD23 LEU A 58 30.100 -12.561 -13.153 1.00 28.17 H new ATOM 121 N ALA A 59 25.991 -10.038 -12.048 1.00 24.53 N ATOM 122 CA ALA A 59 25.368 -9.009 -11.226 1.00 22.67 C ATOM 123 C ALA A 59 25.419 -9.387 -9.750 1.00 22.27 C ATOM 124 O ALA A 59 25.619 -8.533 -8.887 1.00 21.76 O ATOM 125 CB ALA A 59 23.929 -8.781 -11.667 1.00 20.65 C ATOM 0 H ALA A 59 25.416 -10.363 -12.826 1.00 24.53 H new ATOM 0 HA ALA A 59 25.926 -8.082 -11.358 1.00 22.67 H new ATOM 0 HB1 ALA A 59 23.476 -8.010 -11.044 1.00 20.65 H new ATOM 0 HB2 ALA A 59 23.914 -8.461 -12.709 1.00 20.65 H new ATOM 0 HB3 ALA A 59 23.366 -9.708 -11.564 1.00 20.65 H new ATOM 131 N ASP A 60 25.238 -10.674 -9.469 1.00 22.91 N ATOM 132 CA ASP A 60 25.267 -11.167 -8.097 1.00 23.13 C ATOM 133 C ASP A 60 26.693 -11.185 -7.559 1.00 22.90 C ATOM 134 O ASP A 60 26.923 -10.939 -6.375 1.00 23.03 O ATOM 135 CB ASP A 60 24.663 -12.572 -8.024 1.00 25.23 C ATOM 136 CG ASP A 60 23.379 -12.609 -7.220 1.00 25.15 C ATOM 137 OD1 ASP A 60 23.298 -11.896 -6.198 1.00 24.35 O ATOM 138 OD2 ASP A 60 22.453 -13.350 -7.613 1.00 26.06 O ATOM 0 H ASP A 60 25.070 -11.393 -10.173 1.00 22.91 H new ATOM 0 HA ASP A 60 24.673 -10.492 -7.481 1.00 23.13 H new ATOM 0 HB2 ASP A 60 24.467 -12.933 -9.034 1.00 25.23 H new ATOM 0 HB3 ASP A 60 25.388 -13.253 -7.578 1.00 25.23 H new ATOM 143 N GLU A 61 27.647 -11.476 -8.436 1.00 22.74 N ATOM 144 CA GLU A 61 29.052 -11.524 -8.049 1.00 22.54 C ATOM 145 C GLU A 61 29.574 -10.127 -7.738 1.00 20.64 C ATOM 146 O GLU A 61 30.224 -9.908 -6.715 1.00 20.43 O ATOM 147 CB GLU A 61 29.889 -12.159 -9.160 1.00 23.53 C ATOM 148 CG GLU A 61 30.874 -13.203 -8.659 1.00 24.82 C ATOM 149 CD GLU A 61 31.507 -13.996 -9.785 1.00 26.72 C ATOM 150 OE1 GLU A 61 30.833 -14.897 -10.328 1.00 27.62 O ATOM 151 OE2 GLU A 61 32.677 -13.719 -10.122 1.00 27.50 O ATOM 0 H GLU A 61 27.473 -11.682 -9.420 1.00 22.74 H new ATOM 0 HA GLU A 61 29.136 -12.134 -7.150 1.00 22.54 H new ATOM 0 HB2 GLU A 61 29.221 -12.621 -9.887 1.00 23.53 H new ATOM 0 HB3 GLU A 61 30.437 -11.376 -9.683 1.00 23.53 H new ATOM 0 HG2 GLU A 61 31.657 -12.711 -8.082 1.00 24.82 H new ATOM 0 HG3 GLU A 61 30.361 -13.886 -7.982 1.00 24.82 H new ATOM 158 N GLN A 62 29.282 -9.185 -8.625 1.00 19.67 N ATOM 159 CA GLN A 62 29.718 -7.805 -8.450 1.00 18.20 C ATOM 160 C GLN A 62 29.153 -7.221 -7.159 1.00 16.96 C ATOM 161 O GLN A 62 29.847 -6.509 -6.432 1.00 17.14 O ATOM 162 CB GLN A 62 29.281 -6.952 -9.643 1.00 16.52 C ATOM 163 CG GLN A 62 29.767 -7.483 -10.981 1.00 17.29 C ATOM 164 CD GLN A 62 31.272 -7.662 -11.025 1.00 17.47 C ATOM 165 OE1 GLN A 62 31.994 -7.168 -10.159 1.00 16.59 O ATOM 166 NE2 GLN A 62 31.753 -8.374 -12.038 1.00 18.84 N ATOM 0 H GLN A 62 28.744 -9.352 -9.475 1.00 19.67 H new ATOM 0 HA GLN A 62 30.806 -7.798 -8.389 1.00 18.20 H new ATOM 0 HB2 GLN A 62 28.193 -6.894 -9.658 1.00 16.52 H new ATOM 0 HB3 GLN A 62 29.652 -5.936 -9.508 1.00 16.52 H new ATOM 0 HG2 GLN A 62 29.285 -8.439 -11.185 1.00 17.29 H new ATOM 0 HG3 GLN A 62 29.463 -6.797 -11.772 1.00 17.29 H new ATOM 0 HE21 GLN A 62 31.118 -8.765 -12.734 1.00 18.84 H new ATOM 0 HE22 GLN A 62 32.758 -8.530 -12.120 1.00 18.84 H new ATOM 175 N SER A 63 27.891 -7.529 -6.880 1.00 16.04 N ATOM 176 CA SER A 63 27.232 -7.036 -5.675 1.00 14.84 C ATOM 177 C SER A 63 27.853 -7.653 -4.427 1.00 13.65 C ATOM 178 O SER A 63 27.905 -7.023 -3.371 1.00 12.60 O ATOM 179 CB SER A 63 25.736 -7.349 -5.723 1.00 14.52 C ATOM 180 OG SER A 63 25.088 -6.589 -6.729 1.00 13.39 O ATOM 0 H SER A 63 27.304 -8.117 -7.471 1.00 16.04 H new ATOM 0 HA SER A 63 27.368 -5.955 -5.631 1.00 14.84 H new ATOM 0 HB2 SER A 63 25.590 -8.412 -5.915 1.00 14.52 H new ATOM 0 HB3 SER A 63 25.285 -7.135 -4.754 1.00 14.52 H new ATOM 0 HG SER A 63 25.029 -7.118 -7.552 1.00 13.39 H new ATOM 186 N GLU A 64 28.327 -8.888 -4.556 1.00 13.88 N ATOM 187 CA GLU A 64 28.948 -9.588 -3.438 1.00 12.95 C ATOM 188 C GLU A 64 30.167 -8.823 -2.937 1.00 12.62 C ATOM 189 O GLU A 64 30.309 -8.574 -1.739 1.00 11.86 O ATOM 190 CB GLU A 64 29.355 -11.004 -3.854 1.00 13.53 C ATOM 191 CG GLU A 64 28.410 -12.081 -3.348 1.00 13.99 C ATOM 192 CD GLU A 64 29.040 -13.460 -3.353 1.00 16.07 C ATOM 193 OE1 GLU A 64 29.752 -13.792 -2.382 1.00 18.02 O ATOM 194 OE2 GLU A 64 28.823 -14.209 -4.329 1.00 15.81 O ATOM 0 H GLU A 64 28.293 -9.424 -5.423 1.00 13.88 H new ATOM 0 HA GLU A 64 28.219 -9.653 -2.630 1.00 12.95 H new ATOM 0 HB2 GLU A 64 29.402 -11.055 -4.942 1.00 13.53 H new ATOM 0 HB3 GLU A 64 30.359 -11.209 -3.482 1.00 13.53 H new ATOM 0 HG2 GLU A 64 28.093 -11.834 -2.335 1.00 13.99 H new ATOM 0 HG3 GLU A 64 27.514 -12.093 -3.968 1.00 13.99 H new ATOM 201 N LEU A 65 31.043 -8.449 -3.864 1.00 13.55 N ATOM 202 CA LEU A 65 32.250 -7.709 -3.520 1.00 13.30 C ATOM 203 C LEU A 65 31.902 -6.428 -2.768 1.00 12.17 C ATOM 204 O LEU A 65 32.528 -6.098 -1.761 1.00 13.40 O ATOM 205 CB LEU A 65 33.044 -7.376 -4.785 1.00 13.01 C ATOM 206 CG LEU A 65 33.373 -8.576 -5.675 1.00 14.38 C ATOM 207 CD1 LEU A 65 33.340 -8.177 -7.142 1.00 15.42 C ATOM 208 CD2 LEU A 65 34.732 -9.155 -5.307 1.00 16.65 C ATOM 0 H LEU A 65 30.939 -8.647 -4.859 1.00 13.55 H new ATOM 0 HA LEU A 65 32.862 -8.335 -2.871 1.00 13.30 H new ATOM 0 HB2 LEU A 65 32.478 -6.652 -5.371 1.00 13.01 H new ATOM 0 HB3 LEU A 65 33.976 -6.892 -4.494 1.00 13.01 H new ATOM 0 HG LEU A 65 32.617 -9.344 -5.512 1.00 14.38 H new ATOM 0 HD11 LEU A 65 33.576 -9.043 -7.760 1.00 15.42 H new ATOM 0 HD12 LEU A 65 32.346 -7.810 -7.397 1.00 15.42 H new ATOM 0 HD13 LEU A 65 34.074 -7.392 -7.322 1.00 15.42 H new ATOM 0 HD21 LEU A 65 34.950 -10.008 -5.950 1.00 16.65 H new ATOM 0 HD22 LEU A 65 35.500 -8.394 -5.441 1.00 16.65 H new ATOM 0 HD23 LEU A 65 34.720 -9.479 -4.266 1.00 16.65 H new ATOM 220 N VAL A 66 30.896 -5.711 -3.263 1.00 10.01 N ATOM 221 CA VAL A 66 30.463 -4.470 -2.635 1.00 9.03 C ATOM 222 C VAL A 66 29.819 -4.743 -1.279 1.00 8.91 C ATOM 223 O VAL A 66 30.126 -4.081 -0.289 1.00 10.00 O ATOM 224 CB VAL A 66 29.468 -3.703 -3.526 1.00 9.11 C ATOM 225 CG1 VAL A 66 29.016 -2.418 -2.846 1.00 8.78 C ATOM 226 CG2 VAL A 66 30.088 -3.407 -4.881 1.00 9.56 C ATOM 0 H VAL A 66 30.367 -5.969 -4.096 1.00 10.01 H new ATOM 0 HA VAL A 66 31.352 -3.855 -2.496 1.00 9.03 H new ATOM 0 HB VAL A 66 28.590 -4.330 -3.680 1.00 9.11 H new ATOM 0 HG11 VAL A 66 28.314 -1.892 -3.493 1.00 8.78 H new ATOM 0 HG12 VAL A 66 28.529 -2.658 -1.901 1.00 8.78 H new ATOM 0 HG13 VAL A 66 29.881 -1.783 -2.657 1.00 8.78 H new ATOM 0 HG21 VAL A 66 29.372 -2.865 -5.498 1.00 9.56 H new ATOM 0 HG22 VAL A 66 30.984 -2.800 -4.747 1.00 9.56 H new ATOM 0 HG23 VAL A 66 30.354 -4.343 -5.372 1.00 9.56 H new ATOM 236 N LYS A 67 28.930 -5.728 -1.240 1.00 8.18 N ATOM 237 CA LYS A 67 28.255 -6.090 -0.002 1.00 9.10 C ATOM 238 C LYS A 67 29.255 -6.638 1.010 1.00 10.40 C ATOM 239 O LYS A 67 29.032 -6.571 2.218 1.00 11.53 O ATOM 240 CB LYS A 67 27.162 -7.127 -0.276 1.00 11.02 C ATOM 241 CG LYS A 67 26.495 -7.656 0.983 1.00 11.96 C ATOM 242 CD LYS A 67 26.960 -9.067 1.308 1.00 14.55 C ATOM 243 CE LYS A 67 26.849 -9.361 2.795 1.00 16.81 C ATOM 244 NZ LYS A 67 25.956 -10.520 3.068 1.00 18.43 N ATOM 0 H LYS A 67 28.661 -6.288 -2.049 1.00 8.18 H new ATOM 0 HA LYS A 67 27.794 -5.194 0.414 1.00 9.10 H new ATOM 0 HB2 LYS A 67 26.403 -6.681 -0.919 1.00 11.02 H new ATOM 0 HB3 LYS A 67 27.595 -7.962 -0.826 1.00 11.02 H new ATOM 0 HG2 LYS A 67 26.720 -6.996 1.820 1.00 11.96 H new ATOM 0 HG3 LYS A 67 25.413 -7.649 0.853 1.00 11.96 H new ATOM 0 HD2 LYS A 67 26.362 -9.786 0.748 1.00 14.55 H new ATOM 0 HD3 LYS A 67 27.994 -9.194 0.987 1.00 14.55 H new ATOM 0 HE2 LYS A 67 27.841 -9.564 3.200 1.00 16.81 H new ATOM 0 HE3 LYS A 67 26.468 -8.480 3.312 1.00 16.81 H new ATOM 0 HZ1 LYS A 67 25.908 -10.687 4.093 1.00 18.43 H new ATOM 0 HZ2 LYS A 67 25.003 -10.317 2.705 1.00 18.43 H new ATOM 0 HZ3 LYS A 67 26.333 -11.367 2.597 1.00 18.43 H new ATOM 258 N LYS A 68 30.363 -7.173 0.506 1.00 10.38 N ATOM 259 CA LYS A 68 31.404 -7.726 1.363 1.00 11.70 C ATOM 260 C LYS A 68 32.270 -6.614 1.947 1.00 10.04 C ATOM 261 O LYS A 68 32.611 -6.637 3.130 1.00 10.26 O ATOM 262 CB LYS A 68 32.274 -8.708 0.578 1.00 14.12 C ATOM 263 CG LYS A 68 33.367 -9.356 1.412 1.00 15.68 C ATOM 264 CD LYS A 68 34.129 -10.401 0.616 1.00 17.45 C ATOM 265 CE LYS A 68 34.902 -9.773 -0.531 1.00 18.76 C ATOM 266 NZ LYS A 68 36.293 -10.295 -0.616 1.00 21.01 N ATOM 0 H LYS A 68 30.562 -7.235 -0.492 1.00 10.38 H new ATOM 0 HA LYS A 68 30.922 -8.258 2.183 1.00 11.70 H new ATOM 0 HB2 LYS A 68 31.638 -9.488 0.158 1.00 14.12 H new ATOM 0 HB3 LYS A 68 32.732 -8.184 -0.261 1.00 14.12 H new ATOM 0 HG2 LYS A 68 34.058 -8.591 1.765 1.00 15.68 H new ATOM 0 HG3 LYS A 68 32.926 -9.819 2.295 1.00 15.68 H new ATOM 0 HD2 LYS A 68 34.818 -10.930 1.274 1.00 17.45 H new ATOM 0 HD3 LYS A 68 33.431 -11.141 0.224 1.00 17.45 H new ATOM 0 HE2 LYS A 68 34.383 -9.970 -1.469 1.00 18.76 H new ATOM 0 HE3 LYS A 68 34.928 -8.691 -0.402 1.00 18.76 H new ATOM 0 HZ1 LYS A 68 36.786 -9.841 -1.411 1.00 21.01 H new ATOM 0 HZ2 LYS A 68 36.797 -10.085 0.269 1.00 21.01 H new ATOM 0 HZ3 LYS A 68 36.269 -11.324 -0.765 1.00 21.01 H new ATOM 280 N MET A 69 32.621 -5.640 1.111 1.00 8.62 N ATOM 281 CA MET A 69 33.446 -4.523 1.551 1.00 7.31 C ATOM 282 C MET A 69 32.693 -3.660 2.559 1.00 4.95 C ATOM 283 O MET A 69 33.301 -3.008 3.409 1.00 4.67 O ATOM 284 CB MET A 69 33.897 -3.678 0.354 1.00 7.27 C ATOM 285 CG MET A 69 32.804 -2.800 -0.230 1.00 4.94 C ATOM 286 SD MET A 69 33.454 -1.523 -1.326 1.00 6.53 S ATOM 287 CE MET A 69 32.123 -0.327 -1.276 1.00 7.74 C ATOM 0 H MET A 69 32.347 -5.603 0.129 1.00 8.62 H new ATOM 0 HA MET A 69 34.332 -4.928 2.040 1.00 7.31 H new ATOM 0 HB2 MET A 69 34.730 -3.046 0.662 1.00 7.27 H new ATOM 0 HB3 MET A 69 34.271 -4.342 -0.426 1.00 7.27 H new ATOM 0 HG2 MET A 69 32.098 -3.422 -0.781 1.00 4.94 H new ATOM 0 HG3 MET A 69 32.248 -2.329 0.581 1.00 4.94 H new ATOM 0 HE1 MET A 69 32.539 0.678 -1.205 1.00 7.74 H new ATOM 0 HE2 MET A 69 31.526 -0.409 -2.184 1.00 7.74 H new ATOM 0 HE3 MET A 69 31.492 -0.520 -0.408 1.00 7.74 H new ATOM 297 N VAL A 70 31.366 -3.666 2.463 1.00 4.23 N ATOM 298 CA VAL A 70 30.532 -2.891 3.370 1.00 3.11 C ATOM 299 C VAL A 70 30.407 -3.597 4.718 1.00 4.85 C ATOM 300 O VAL A 70 30.514 -2.967 5.770 1.00 5.34 O ATOM 301 CB VAL A 70 29.127 -2.643 2.775 1.00 3.47 C ATOM 302 CG1 VAL A 70 28.187 -2.023 3.804 1.00 3.11 C ATOM 303 CG2 VAL A 70 29.227 -1.750 1.551 1.00 3.45 C ATOM 0 H VAL A 70 30.848 -4.200 1.765 1.00 4.23 H new ATOM 0 HA VAL A 70 31.016 -1.925 3.515 1.00 3.11 H new ATOM 0 HB VAL A 70 28.712 -3.608 2.482 1.00 3.47 H new ATOM 0 HG11 VAL A 70 27.208 -1.862 3.352 1.00 3.11 H new ATOM 0 HG12 VAL A 70 28.087 -2.695 4.657 1.00 3.11 H new ATOM 0 HG13 VAL A 70 28.593 -1.069 4.139 1.00 3.11 H new ATOM 0 HG21 VAL A 70 28.231 -1.582 1.141 1.00 3.45 H new ATOM 0 HG22 VAL A 70 29.669 -0.794 1.833 1.00 3.45 H new ATOM 0 HG23 VAL A 70 29.853 -2.231 0.800 1.00 3.45 H new ATOM 313 N PHE A 71 30.186 -4.908 4.679 1.00 6.69 N ATOM 314 CA PHE A 71 30.053 -5.694 5.900 1.00 9.03 C ATOM 315 C PHE A 71 31.210 -5.405 6.851 1.00 8.89 C ATOM 316 O PHE A 71 31.002 -4.973 7.984 1.00 10.20 O ATOM 317 CB PHE A 71 30.004 -7.189 5.570 1.00 11.23 C ATOM 318 CG PHE A 71 30.069 -8.073 6.783 1.00 12.47 C ATOM 319 CD1 PHE A 71 29.093 -7.983 7.785 1.00 14.09 C ATOM 320 CD2 PHE A 71 31.112 -8.998 6.936 1.00 12.38 C ATOM 321 CE1 PHE A 71 29.155 -8.799 8.917 1.00 15.42 C ATOM 322 CE2 PHE A 71 31.179 -9.817 8.066 1.00 13.89 C ATOM 323 CZ PHE A 71 30.199 -9.718 9.058 1.00 15.32 C ATOM 0 H PHE A 71 30.096 -5.446 3.817 1.00 6.69 H new ATOM 0 HA PHE A 71 29.121 -5.412 6.389 1.00 9.03 H new ATOM 0 HB2 PHE A 71 29.085 -7.402 5.024 1.00 11.23 H new ATOM 0 HB3 PHE A 71 30.834 -7.434 4.907 1.00 11.23 H new ATOM 0 HD1 PHE A 71 28.284 -7.275 7.681 1.00 14.09 H new ATOM 0 HD2 PHE A 71 31.871 -9.078 6.172 1.00 12.38 H new ATOM 0 HE1 PHE A 71 28.397 -8.720 9.682 1.00 15.42 H new ATOM 0 HE2 PHE A 71 31.987 -10.526 8.173 1.00 13.89 H new ATOM 0 HZ PHE A 71 30.248 -10.351 9.932 1.00 15.32 H new ATOM 333 N ASP A 72 32.430 -5.639 6.379 1.00 7.77 N ATOM 334 CA ASP A 72 33.617 -5.392 7.185 1.00 7.69 C ATOM 335 C ASP A 72 33.626 -3.954 7.688 1.00 6.97 C ATOM 336 O ASP A 72 33.889 -3.697 8.863 1.00 7.04 O ATOM 337 CB ASP A 72 34.881 -5.669 6.368 1.00 6.51 C ATOM 338 CG ASP A 72 35.890 -6.507 7.127 1.00 7.91 C ATOM 339 OD1 ASP A 72 35.754 -6.625 8.363 1.00 9.39 O ATOM 340 OD2 ASP A 72 36.818 -7.045 6.486 1.00 7.93 O ATOM 0 H ASP A 72 32.621 -5.999 5.444 1.00 7.77 H new ATOM 0 HA ASP A 72 33.598 -6.064 8.043 1.00 7.69 H new ATOM 0 HB2 ASP A 72 34.608 -6.181 5.445 1.00 6.51 H new ATOM 0 HB3 ASP A 72 35.340 -4.722 6.083 1.00 6.51 H new ATOM 345 N THR A 73 33.328 -3.021 6.789 1.00 7.30 N ATOM 346 CA THR A 73 33.294 -1.607 7.140 1.00 8.13 C ATOM 347 C THR A 73 32.243 -1.352 8.216 1.00 11.14 C ATOM 348 O THR A 73 32.575 -1.035 9.358 1.00 12.65 O ATOM 349 CB THR A 73 32.997 -0.759 5.896 1.00 7.19 C ATOM 350 OG1 THR A 73 34.105 -0.764 5.012 1.00 7.24 O ATOM 351 CG2 THR A 73 32.668 0.690 6.207 1.00 7.76 C ATOM 0 H THR A 73 33.107 -3.219 5.813 1.00 7.30 H new ATOM 0 HA THR A 73 34.270 -1.322 7.533 1.00 8.13 H new ATOM 0 HB THR A 73 32.119 -1.220 5.443 1.00 7.19 H new ATOM 0 HG1 THR A 73 34.186 0.114 4.584 1.00 7.24 H new ATOM 0 HG21 THR A 73 32.470 1.226 5.278 1.00 7.76 H new ATOM 0 HG22 THR A 73 31.786 0.734 6.846 1.00 7.76 H new ATOM 0 HG23 THR A 73 33.511 1.153 6.720 1.00 7.76 H new ATOM 359 N LEU A 74 30.975 -1.493 7.842 1.00 12.23 N ATOM 360 CA LEU A 74 29.877 -1.277 8.778 1.00 15.12 C ATOM 361 C LEU A 74 30.072 -2.096 10.047 1.00 16.62 C ATOM 362 O LEU A 74 29.788 -1.627 11.149 1.00 18.83 O ATOM 363 CB LEU A 74 28.540 -1.627 8.120 1.00 16.03 C ATOM 364 CG LEU A 74 28.087 -0.661 7.021 1.00 15.89 C ATOM 365 CD1 LEU A 74 26.611 -0.855 6.717 1.00 18.18 C ATOM 366 CD2 LEU A 74 28.364 0.782 7.427 1.00 15.87 C ATOM 0 H LEU A 74 30.683 -1.755 6.900 1.00 12.23 H new ATOM 0 HA LEU A 74 29.869 -0.222 9.053 1.00 15.12 H new ATOM 0 HB2 LEU A 74 28.612 -2.628 7.696 1.00 16.03 H new ATOM 0 HB3 LEU A 74 27.771 -1.662 8.891 1.00 16.03 H new ATOM 0 HG LEU A 74 28.657 -0.878 6.117 1.00 15.89 H new ATOM 0 HD11 LEU A 74 26.306 -0.161 5.934 1.00 18.18 H new ATOM 0 HD12 LEU A 74 26.440 -1.878 6.381 1.00 18.18 H new ATOM 0 HD13 LEU A 74 26.026 -0.666 7.617 1.00 18.18 H new ATOM 0 HD21 LEU A 74 28.035 1.453 6.633 1.00 15.87 H new ATOM 0 HD22 LEU A 74 27.822 1.012 8.344 1.00 15.87 H new ATOM 0 HD23 LEU A 74 29.433 0.914 7.594 1.00 15.87 H new ATOM 378 N LYS A 75 30.566 -3.317 9.888 1.00 15.74 N ATOM 379 CA LYS A 75 30.809 -4.194 11.026 1.00 17.54 C ATOM 380 C LYS A 75 31.700 -3.498 12.044 1.00 17.15 C ATOM 381 O LYS A 75 31.263 -3.153 13.141 1.00 18.79 O ATOM 382 CB LYS A 75 31.469 -5.494 10.566 1.00 17.54 C ATOM 383 CG LYS A 75 31.877 -6.407 11.710 1.00 17.50 C ATOM 384 CD LYS A 75 31.834 -7.871 11.302 1.00 18.45 C ATOM 385 CE LYS A 75 33.123 -8.589 11.671 1.00 20.38 C ATOM 386 NZ LYS A 75 33.025 -10.057 11.447 1.00 21.72 N ATOM 0 H LYS A 75 30.806 -3.722 8.983 1.00 15.74 H new ATOM 0 HA LYS A 75 29.851 -4.429 11.491 1.00 17.54 H new ATOM 0 HB2 LYS A 75 30.781 -6.030 9.912 1.00 17.54 H new ATOM 0 HB3 LYS A 75 32.351 -5.254 9.972 1.00 17.54 H new ATOM 0 HG2 LYS A 75 32.884 -6.150 12.040 1.00 17.50 H new ATOM 0 HG3 LYS A 75 31.213 -6.246 12.559 1.00 17.50 H new ATOM 0 HD2 LYS A 75 30.991 -8.361 11.789 1.00 18.45 H new ATOM 0 HD3 LYS A 75 31.669 -7.946 10.227 1.00 18.45 H new ATOM 0 HE2 LYS A 75 33.945 -8.186 11.080 1.00 20.38 H new ATOM 0 HE3 LYS A 75 33.359 -8.397 12.718 1.00 20.38 H new ATOM 0 HZ1 LYS A 75 33.924 -10.509 11.711 1.00 21.72 H new ATOM 0 HZ2 LYS A 75 32.257 -10.447 12.030 1.00 21.72 H new ATOM 0 HZ3 LYS A 75 32.825 -10.242 10.443 1.00 21.72 H new ATOM 400 N ASP A 76 32.954 -3.292 11.664 1.00 14.96 N ATOM 401 CA ASP A 76 33.920 -2.631 12.531 1.00 14.34 C ATOM 402 C ASP A 76 33.489 -1.200 12.836 1.00 14.79 C ATOM 403 O ASP A 76 33.806 -0.660 13.896 1.00 15.46 O ATOM 404 CB ASP A 76 35.304 -2.630 11.878 1.00 11.66 C ATOM 405 CG ASP A 76 36.239 -3.646 12.505 1.00 11.25 C ATOM 406 OD1 ASP A 76 35.744 -4.553 13.208 1.00 11.49 O ATOM 407 OD2 ASP A 76 37.465 -3.534 12.295 1.00 10.97 O ATOM 0 H ASP A 76 33.327 -3.574 10.758 1.00 14.96 H new ATOM 0 HA ASP A 76 33.967 -3.184 13.469 1.00 14.34 H new ATOM 0 HB2 ASP A 76 35.201 -2.843 10.814 1.00 11.66 H new ATOM 0 HB3 ASP A 76 35.742 -1.636 11.963 1.00 11.66 H new ATOM 412 N LEU A 77 32.766 -0.590 11.900 1.00 14.78 N ATOM 413 CA LEU A 77 32.294 0.778 12.073 1.00 15.98 C ATOM 414 C LEU A 77 31.297 0.862 13.225 1.00 18.38 C ATOM 415 O LEU A 77 31.532 1.562 14.210 1.00 19.21 O ATOM 416 CB LEU A 77 31.665 1.280 10.766 1.00 16.61 C ATOM 417 CG LEU A 77 30.694 2.461 10.894 1.00 18.50 C ATOM 418 CD1 LEU A 77 31.198 3.470 11.915 1.00 18.26 C ATOM 419 CD2 LEU A 77 30.493 3.126 9.542 1.00 19.15 C ATOM 0 H LEU A 77 32.496 -1.022 11.016 1.00 14.78 H new ATOM 0 HA LEU A 77 33.142 1.416 12.320 1.00 15.98 H new ATOM 0 HB2 LEU A 77 32.468 1.568 10.087 1.00 16.61 H new ATOM 0 HB3 LEU A 77 31.135 0.450 10.299 1.00 16.61 H new ATOM 0 HG LEU A 77 29.734 2.079 11.242 1.00 18.50 H new ATOM 0 HD11 LEU A 77 30.492 4.298 11.988 1.00 18.26 H new ATOM 0 HD12 LEU A 77 31.292 2.987 12.888 1.00 18.26 H new ATOM 0 HD13 LEU A 77 32.171 3.849 11.602 1.00 18.26 H new ATOM 0 HD21 LEU A 77 29.802 3.962 9.647 1.00 19.15 H new ATOM 0 HD22 LEU A 77 31.450 3.491 9.170 1.00 19.15 H new ATOM 0 HD23 LEU A 77 30.082 2.402 8.838 1.00 19.15 H new ATOM 431 N TYR A 78 30.188 0.141 13.099 1.00 19.64 N ATOM 432 CA TYR A 78 29.166 0.137 14.138 1.00 22.08 C ATOM 433 C TYR A 78 29.765 -0.288 15.474 1.00 23.75 C ATOM 434 O TYR A 78 29.266 0.084 16.536 1.00 25.79 O ATOM 435 CB TYR A 78 28.019 -0.800 13.755 1.00 22.49 C ATOM 436 CG TYR A 78 27.249 -0.347 12.537 1.00 22.77 C ATOM 437 CD1 TYR A 78 27.047 1.020 12.278 1.00 21.82 C ATOM 438 CD2 TYR A 78 26.717 -1.281 11.632 1.00 24.16 C ATOM 439 CE1 TYR A 78 26.335 1.442 11.153 1.00 22.28 C ATOM 440 CE2 TYR A 78 26.004 -0.866 10.503 1.00 24.64 C ATOM 441 CZ TYR A 78 25.817 0.496 10.269 1.00 23.72 C ATOM 442 OH TYR A 78 25.116 0.909 9.158 1.00 24.37 O ATOM 0 H TYR A 78 29.975 -0.445 12.292 1.00 19.64 H new ATOM 0 HA TYR A 78 28.774 1.149 14.237 1.00 22.08 H new ATOM 0 HB2 TYR A 78 28.421 -1.796 13.571 1.00 22.49 H new ATOM 0 HB3 TYR A 78 27.333 -0.884 14.598 1.00 22.49 H new ATOM 0 HD1 TYR A 78 27.449 1.755 12.960 1.00 21.82 H new ATOM 0 HD2 TYR A 78 26.861 -2.336 11.811 1.00 24.16 H new ATOM 0 HE1 TYR A 78 26.186 2.496 10.969 1.00 22.28 H new ATOM 0 HE2 TYR A 78 25.601 -1.596 9.817 1.00 24.64 H new ATOM 0 HH TYR A 78 24.299 1.370 9.440 1.00 24.37 H new ATOM 452 N LYS A 79 30.840 -1.066 15.412 1.00 22.92 N ATOM 453 CA LYS A 79 31.513 -1.540 16.614 1.00 24.38 C ATOM 454 C LYS A 79 32.158 -0.380 17.364 1.00 25.62 C ATOM 455 O LYS A 79 32.313 -0.426 18.585 1.00 27.07 O ATOM 456 CB LYS A 79 32.574 -2.582 16.252 1.00 23.54 C ATOM 457 CG LYS A 79 32.278 -3.968 16.800 1.00 23.58 C ATOM 458 CD LYS A 79 32.915 -5.053 15.946 1.00 23.67 C ATOM 459 CE LYS A 79 33.050 -6.359 16.710 1.00 24.47 C ATOM 460 NZ LYS A 79 33.907 -6.208 17.919 1.00 26.01 N ATOM 0 H LYS A 79 31.264 -1.382 14.540 1.00 22.92 H new ATOM 0 HA LYS A 79 30.768 -2.001 17.262 1.00 24.38 H new ATOM 0 HB2 LYS A 79 32.659 -2.640 15.167 1.00 23.54 H new ATOM 0 HB3 LYS A 79 33.541 -2.250 16.630 1.00 23.54 H new ATOM 0 HG2 LYS A 79 32.649 -4.043 17.822 1.00 23.58 H new ATOM 0 HG3 LYS A 79 31.200 -4.122 16.841 1.00 23.58 H new ATOM 0 HD2 LYS A 79 32.312 -5.214 15.052 1.00 23.67 H new ATOM 0 HD3 LYS A 79 33.899 -4.723 15.612 1.00 23.67 H new ATOM 0 HE2 LYS A 79 32.062 -6.710 17.007 1.00 24.47 H new ATOM 0 HE3 LYS A 79 33.475 -7.120 16.056 1.00 24.47 H new ATOM 0 HZ1 LYS A 79 34.321 -7.129 18.168 1.00 26.01 H new ATOM 0 HZ2 LYS A 79 34.669 -5.528 17.722 1.00 26.01 H new ATOM 0 HZ3 LYS A 79 33.330 -5.862 18.712 1.00 26.01 H new ATOM 474 N LYS A 80 32.530 0.660 16.626 1.00 25.20 N ATOM 475 CA LYS A 80 33.157 1.834 17.222 1.00 26.28 C ATOM 476 C LYS A 80 32.218 2.503 18.218 1.00 28.52 C ATOM 477 O LYS A 80 32.635 2.915 19.301 1.00 30.05 O ATOM 478 CB LYS A 80 33.560 2.831 16.135 1.00 24.83 C ATOM 479 CG LYS A 80 34.487 3.929 16.629 1.00 22.95 C ATOM 480 CD LYS A 80 33.737 5.232 16.853 1.00 23.10 C ATOM 481 CE LYS A 80 34.649 6.310 17.415 1.00 21.98 C ATOM 482 NZ LYS A 80 34.772 7.472 16.492 1.00 22.21 N ATOM 0 H LYS A 80 32.408 0.714 15.615 1.00 25.20 H new ATOM 0 HA LYS A 80 34.051 1.507 17.754 1.00 26.28 H new ATOM 0 HB2 LYS A 80 34.049 2.292 15.323 1.00 24.83 H new ATOM 0 HB3 LYS A 80 32.661 3.286 15.720 1.00 24.83 H new ATOM 0 HG2 LYS A 80 34.960 3.616 17.560 1.00 22.95 H new ATOM 0 HG3 LYS A 80 35.285 4.087 15.903 1.00 22.95 H new ATOM 0 HD2 LYS A 80 33.307 5.572 15.911 1.00 23.10 H new ATOM 0 HD3 LYS A 80 32.907 5.062 17.539 1.00 23.10 H new ATOM 0 HE2 LYS A 80 34.261 6.649 18.375 1.00 21.98 H new ATOM 0 HE3 LYS A 80 35.637 5.889 17.601 1.00 21.98 H new ATOM 0 HZ1 LYS A 80 35.402 8.184 16.913 1.00 22.21 H new ATOM 0 HZ2 LYS A 80 35.166 7.154 15.584 1.00 22.21 H new ATOM 0 HZ3 LYS A 80 33.833 7.891 16.334 1.00 22.21 H new ATOM 496 N THR A 81 30.950 2.607 17.845 1.00 28.84 N ATOM 497 CA THR A 81 29.947 3.224 18.704 1.00 31.07 C ATOM 498 C THR A 81 29.769 2.424 19.989 1.00 33.37 C ATOM 499 O THR A 81 30.263 2.809 21.049 1.00 34.01 O ATOM 500 CB THR A 81 28.610 3.334 17.970 1.00 31.51 C ATOM 501 OG1 THR A 81 28.152 2.056 17.568 1.00 30.86 O ATOM 502 CG2 THR A 81 28.673 4.207 16.735 1.00 30.25 C ATOM 0 H THR A 81 30.590 2.272 16.951 1.00 28.84 H new ATOM 0 HA THR A 81 30.293 4.225 18.962 1.00 31.07 H new ATOM 0 HB THR A 81 27.927 3.793 18.685 1.00 31.51 H new ATOM 0 HG1 THR A 81 28.914 1.510 17.285 1.00 30.86 H new ATOM 0 HG21 THR A 81 27.691 4.241 16.263 1.00 30.25 H new ATOM 0 HG22 THR A 81 28.975 5.215 17.017 1.00 30.25 H new ATOM 0 HG23 THR A 81 29.398 3.794 16.034 1.00 30.25 H new ATOM 566 N ASP B 54 24.744 -5.583 18.413 1.00 33.31 N ATOM 567 CA ASP B 54 23.939 -4.904 17.406 1.00 30.59 C ATOM 568 C ASP B 54 24.794 -4.483 16.215 1.00 30.20 C ATOM 569 O ASP B 54 24.343 -4.521 15.070 1.00 29.32 O ATOM 570 CB ASP B 54 23.249 -3.680 18.010 1.00 30.05 C ATOM 571 CG ASP B 54 22.050 -4.052 18.859 1.00 28.18 C ATOM 572 OD1 ASP B 54 22.161 -5.007 19.657 1.00 28.28 O ATOM 573 OD2 ASP B 54 21.001 -3.389 18.727 1.00 26.64 O ATOM 0 HA ASP B 54 23.180 -5.604 17.056 1.00 30.59 H new ATOM 0 HB2 ASP B 54 23.964 -3.127 18.619 1.00 30.05 H new ATOM 0 HB3 ASP B 54 22.930 -3.014 17.208 1.00 30.05 H new ATOM 578 N ALA B 55 26.030 -4.084 16.491 1.00 30.92 N ATOM 579 CA ALA B 55 26.946 -3.656 15.440 1.00 30.67 C ATOM 580 C ALA B 55 27.034 -4.703 14.337 1.00 28.72 C ATOM 581 O ALA B 55 27.053 -4.371 13.151 1.00 27.36 O ATOM 582 CB ALA B 55 28.326 -3.382 16.021 1.00 33.00 C ATOM 0 H ALA B 55 26.421 -4.048 17.432 1.00 30.92 H new ATOM 0 HA ALA B 55 26.559 -2.735 15.005 1.00 30.67 H new ATOM 0 HB1 ALA B 55 28.999 -3.063 15.225 1.00 33.00 H new ATOM 0 HB2 ALA B 55 28.255 -2.596 16.772 1.00 33.00 H new ATOM 0 HB3 ALA B 55 28.714 -4.290 16.482 1.00 33.00 H new ATOM 588 N GLU B 56 27.084 -5.969 14.735 1.00 28.75 N ATOM 589 CA GLU B 56 27.166 -7.068 13.781 1.00 27.20 C ATOM 590 C GLU B 56 25.853 -7.224 13.022 1.00 24.75 C ATOM 591 O GLU B 56 25.839 -7.283 11.792 1.00 24.60 O ATOM 592 CB GLU B 56 27.510 -8.373 14.502 1.00 28.32 C ATOM 593 CG GLU B 56 27.796 -9.531 13.560 1.00 29.24 C ATOM 594 CD GLU B 56 27.640 -10.881 14.232 1.00 29.10 C ATOM 595 OE1 GLU B 56 26.487 -11.285 14.492 1.00 28.04 O ATOM 596 OE2 GLU B 56 28.671 -11.534 14.499 1.00 30.21 O ATOM 0 H GLU B 56 27.069 -6.260 15.713 1.00 28.75 H new ATOM 0 HA GLU B 56 27.956 -6.839 13.065 1.00 27.20 H new ATOM 0 HB2 GLU B 56 28.380 -8.209 15.137 1.00 28.32 H new ATOM 0 HB3 GLU B 56 26.683 -8.645 15.158 1.00 28.32 H new ATOM 0 HG2 GLU B 56 27.122 -9.475 12.705 1.00 29.24 H new ATOM 0 HG3 GLU B 56 28.810 -9.437 13.172 1.00 29.24 H new ATOM 603 N ARG B 57 24.751 -7.285 13.762 1.00 22.99 N ATOM 604 CA ARG B 57 23.434 -7.430 13.155 1.00 20.56 C ATOM 605 C ARG B 57 23.150 -6.273 12.205 1.00 18.48 C ATOM 606 O ARG B 57 22.565 -6.461 11.139 1.00 17.36 O ATOM 607 CB ARG B 57 22.354 -7.497 14.236 1.00 19.83 C ATOM 608 CG ARG B 57 22.716 -8.406 15.400 1.00 21.76 C ATOM 609 CD ARG B 57 21.543 -9.284 15.806 1.00 21.16 C ATOM 610 NE ARG B 57 21.658 -9.745 17.187 1.00 23.64 N ATOM 611 CZ ARG B 57 20.836 -10.633 17.738 1.00 24.40 C ATOM 612 NH1 ARG B 57 19.845 -11.155 17.026 1.00 23.01 N ATOM 613 NH2 ARG B 57 21.003 -10.999 19.002 1.00 26.78 N ATOM 0 H ARG B 57 24.744 -7.236 14.781 1.00 22.99 H new ATOM 0 HA ARG B 57 23.421 -8.359 12.585 1.00 20.56 H new ATOM 0 HB2 ARG B 57 22.167 -6.492 14.615 1.00 19.83 H new ATOM 0 HB3 ARG B 57 21.424 -7.847 13.788 1.00 19.83 H new ATOM 0 HG2 ARG B 57 23.563 -9.034 15.123 1.00 21.76 H new ATOM 0 HG3 ARG B 57 23.031 -7.802 16.251 1.00 21.76 H new ATOM 0 HD2 ARG B 57 20.614 -8.727 15.686 1.00 21.16 H new ATOM 0 HD3 ARG B 57 21.487 -10.145 15.140 1.00 21.16 H new ATOM 0 HE ARG B 57 22.411 -9.365 17.761 1.00 23.64 H new ATOM 0 HH11 ARG B 57 19.713 -10.875 16.054 1.00 23.01 H new ATOM 0 HH12 ARG B 57 19.216 -11.836 17.451 1.00 23.01 H new ATOM 0 HH21 ARG B 57 21.763 -10.599 19.553 1.00 26.78 H new ATOM 0 HH22 ARG B 57 20.372 -11.680 19.423 1.00 26.78 H new ATOM 627 N LEU B 58 23.573 -5.077 12.599 1.00 18.14 N ATOM 628 CA LEU B 58 23.372 -3.885 11.783 1.00 16.22 C ATOM 629 C LEU B 58 24.128 -4.001 10.467 1.00 15.97 C ATOM 630 O LEU B 58 23.533 -3.972 9.389 1.00 15.17 O ATOM 631 CB LEU B 58 23.833 -2.639 12.540 1.00 15.60 C ATOM 632 CG LEU B 58 22.896 -2.172 13.656 1.00 15.58 C ATOM 633 CD1 LEU B 58 23.564 -1.095 14.495 1.00 16.24 C ATOM 634 CD2 LEU B 58 21.588 -1.659 13.074 1.00 13.70 C ATOM 0 H LEU B 58 24.058 -4.907 13.480 1.00 18.14 H new ATOM 0 HA LEU B 58 22.307 -3.796 11.567 1.00 16.22 H new ATOM 0 HB2 LEU B 58 24.815 -2.837 12.970 1.00 15.60 H new ATOM 0 HB3 LEU B 58 23.957 -1.824 11.826 1.00 15.60 H new ATOM 0 HG LEU B 58 22.676 -3.024 14.300 1.00 15.58 H new ATOM 0 HD11 LEU B 58 22.884 -0.774 15.284 1.00 16.24 H new ATOM 0 HD12 LEU B 58 24.475 -1.494 14.941 1.00 16.24 H new ATOM 0 HD13 LEU B 58 23.813 -0.243 13.862 1.00 16.24 H new ATOM 0 HD21 LEU B 58 20.934 -1.331 13.882 1.00 13.70 H new ATOM 0 HD22 LEU B 58 21.790 -0.820 12.408 1.00 13.70 H new ATOM 0 HD23 LEU B 58 21.101 -2.457 12.514 1.00 13.70 H new ATOM 646 N ALA B 59 25.445 -4.135 10.566 1.00 16.77 N ATOM 647 CA ALA B 59 26.297 -4.261 9.390 1.00 16.82 C ATOM 648 C ALA B 59 25.742 -5.297 8.417 1.00 17.76 C ATOM 649 O ALA B 59 25.962 -5.208 7.210 1.00 18.42 O ATOM 650 CB ALA B 59 27.713 -4.632 9.807 1.00 17.24 C ATOM 0 H ALA B 59 25.948 -4.159 11.453 1.00 16.77 H new ATOM 0 HA ALA B 59 26.318 -3.298 8.880 1.00 16.82 H new ATOM 0 HB1 ALA B 59 28.341 -4.724 8.921 1.00 17.24 H new ATOM 0 HB2 ALA B 59 28.115 -3.856 10.458 1.00 17.24 H new ATOM 0 HB3 ALA B 59 27.698 -5.582 10.341 1.00 17.24 H new ATOM 656 N ASP B 60 25.020 -6.275 8.953 1.00 18.13 N ATOM 657 CA ASP B 60 24.433 -7.327 8.131 1.00 19.37 C ATOM 658 C ASP B 60 23.240 -6.799 7.344 1.00 17.85 C ATOM 659 O ASP B 60 23.253 -6.787 6.112 1.00 18.37 O ATOM 660 CB ASP B 60 24.006 -8.508 9.003 1.00 21.12 C ATOM 661 CG ASP B 60 23.537 -9.694 8.183 1.00 21.62 C ATOM 662 OD1 ASP B 60 23.594 -9.612 6.937 1.00 21.71 O ATOM 663 OD2 ASP B 60 23.115 -10.703 8.784 1.00 22.15 O ATOM 0 H ASP B 60 24.827 -6.361 9.951 1.00 18.13 H new ATOM 0 HA ASP B 60 25.189 -7.666 7.423 1.00 19.37 H new ATOM 0 HB2 ASP B 60 24.843 -8.813 9.632 1.00 21.12 H new ATOM 0 HB3 ASP B 60 23.204 -8.192 9.671 1.00 21.12 H new ATOM 668 N GLU B 61 22.210 -6.357 8.057 1.00 16.16 N ATOM 669 CA GLU B 61 21.018 -5.824 7.415 1.00 14.94 C ATOM 670 C GLU B 61 21.378 -4.654 6.504 1.00 13.30 C ATOM 671 O GLU B 61 20.855 -4.537 5.396 1.00 13.04 O ATOM 672 CB GLU B 61 19.997 -5.378 8.465 1.00 14.30 C ATOM 673 CG GLU B 61 20.575 -4.460 9.528 1.00 13.21 C ATOM 674 CD GLU B 61 19.504 -3.814 10.385 1.00 12.92 C ATOM 675 OE1 GLU B 61 18.324 -3.840 9.978 1.00 11.48 O ATOM 676 OE2 GLU B 61 19.845 -3.285 11.463 1.00 14.37 O ATOM 0 H GLU B 61 22.178 -6.358 9.076 1.00 16.16 H new ATOM 0 HA GLU B 61 20.574 -6.614 6.809 1.00 14.94 H new ATOM 0 HB2 GLU B 61 19.174 -4.867 7.965 1.00 14.30 H new ATOM 0 HB3 GLU B 61 19.577 -6.260 8.949 1.00 14.30 H new ATOM 0 HG2 GLU B 61 21.251 -5.029 10.166 1.00 13.21 H new ATOM 0 HG3 GLU B 61 21.169 -3.682 9.048 1.00 13.21 H new ATOM 683 N GLN B 62 22.276 -3.797 6.976 1.00 12.48 N ATOM 684 CA GLN B 62 22.712 -2.641 6.204 1.00 11.56 C ATOM 685 C GLN B 62 23.508 -3.073 4.976 1.00 10.54 C ATOM 686 O GLN B 62 23.360 -2.499 3.897 1.00 10.15 O ATOM 687 CB GLN B 62 23.560 -1.716 7.077 1.00 12.29 C ATOM 688 CG GLN B 62 22.752 -0.713 7.887 1.00 13.77 C ATOM 689 CD GLN B 62 21.495 -1.309 8.495 1.00 14.21 C ATOM 690 OE1 GLN B 62 20.696 -1.943 7.805 1.00 14.11 O ATOM 691 NE2 GLN B 62 21.310 -1.097 9.793 1.00 15.09 N ATOM 0 H GLN B 62 22.717 -3.882 7.892 1.00 12.48 H new ATOM 0 HA GLN B 62 21.826 -2.103 5.866 1.00 11.56 H new ATOM 0 HB2 GLN B 62 24.155 -2.323 7.760 1.00 12.29 H new ATOM 0 HB3 GLN B 62 24.259 -1.174 6.441 1.00 12.29 H new ATOM 0 HG2 GLN B 62 23.378 -0.311 8.684 1.00 13.77 H new ATOM 0 HG3 GLN B 62 22.476 0.124 7.246 1.00 13.77 H new ATOM 0 HE21 GLN B 62 21.998 -0.566 10.326 1.00 15.09 H new ATOM 0 HE22 GLN B 62 20.479 -1.465 10.257 1.00 15.09 H new ATOM 700 N SER B 63 24.352 -4.089 5.145 1.00 10.64 N ATOM 701 CA SER B 63 25.166 -4.592 4.044 1.00 10.37 C ATOM 702 C SER B 63 24.301 -5.323 3.025 1.00 8.23 C ATOM 703 O SER B 63 24.288 -4.975 1.844 1.00 7.15 O ATOM 704 CB SER B 63 26.256 -5.528 4.570 1.00 12.67 C ATOM 705 OG SER B 63 25.692 -6.632 5.256 1.00 12.56 O ATOM 0 H SER B 63 24.489 -4.577 6.030 1.00 10.64 H new ATOM 0 HA SER B 63 25.638 -3.740 3.554 1.00 10.37 H new ATOM 0 HB2 SER B 63 26.866 -5.885 3.740 1.00 12.67 H new ATOM 0 HB3 SER B 63 26.919 -4.980 5.240 1.00 12.67 H new ATOM 0 HG SER B 63 25.207 -6.313 6.045 1.00 12.56 H new ATOM 711 N GLU B 64 23.577 -6.336 3.488 1.00 8.02 N ATOM 712 CA GLU B 64 22.706 -7.111 2.617 1.00 6.11 C ATOM 713 C GLU B 64 21.793 -6.193 1.811 1.00 4.28 C ATOM 714 O GLU B 64 21.486 -6.469 0.651 1.00 4.17 O ATOM 715 CB GLU B 64 21.875 -8.092 3.444 1.00 6.65 C ATOM 716 CG GLU B 64 20.757 -7.433 4.236 1.00 7.79 C ATOM 717 CD GLU B 64 19.892 -8.437 4.971 1.00 8.78 C ATOM 718 OE1 GLU B 64 20.318 -9.605 5.103 1.00 10.37 O ATOM 719 OE2 GLU B 64 18.787 -8.058 5.415 1.00 8.37 O ATOM 0 H GLU B 64 23.577 -6.638 4.462 1.00 8.02 H new ATOM 0 HA GLU B 64 23.327 -7.673 1.920 1.00 6.11 H new ATOM 0 HB2 GLU B 64 21.444 -8.840 2.778 1.00 6.65 H new ATOM 0 HB3 GLU B 64 22.533 -8.620 4.133 1.00 6.65 H new ATOM 0 HG2 GLU B 64 21.188 -6.736 4.955 1.00 7.79 H new ATOM 0 HG3 GLU B 64 20.133 -6.848 3.559 1.00 7.79 H new ATOM 726 N LEU B 65 21.366 -5.097 2.432 1.00 3.16 N ATOM 727 CA LEU B 65 20.493 -4.135 1.771 1.00 2.57 C ATOM 728 C LEU B 65 21.182 -3.533 0.552 1.00 2.70 C ATOM 729 O LEU B 65 20.575 -3.390 -0.509 1.00 3.58 O ATOM 730 CB LEU B 65 20.089 -3.026 2.743 1.00 2.83 C ATOM 731 CG LEU B 65 18.792 -2.295 2.389 1.00 4.24 C ATOM 732 CD1 LEU B 65 18.127 -1.754 3.645 1.00 5.63 C ATOM 733 CD2 LEU B 65 19.069 -1.171 1.402 1.00 4.17 C ATOM 0 H LEU B 65 21.611 -4.854 3.392 1.00 3.16 H new ATOM 0 HA LEU B 65 19.596 -4.660 1.441 1.00 2.57 H new ATOM 0 HB2 LEU B 65 19.985 -3.457 3.739 1.00 2.83 H new ATOM 0 HB3 LEU B 65 20.897 -2.296 2.794 1.00 2.83 H new ATOM 0 HG LEU B 65 18.111 -3.005 1.919 1.00 4.24 H new ATOM 0 HD11 LEU B 65 17.206 -1.237 3.375 1.00 5.63 H new ATOM 0 HD12 LEU B 65 17.896 -2.579 4.319 1.00 5.63 H new ATOM 0 HD13 LEU B 65 18.802 -1.057 4.143 1.00 5.63 H new ATOM 0 HD21 LEU B 65 18.136 -0.661 1.160 1.00 4.17 H new ATOM 0 HD22 LEU B 65 19.767 -0.461 1.846 1.00 4.17 H new ATOM 0 HD23 LEU B 65 19.503 -1.585 0.492 1.00 4.17 H new ATOM 745 N VAL B 66 22.455 -3.183 0.710 1.00 2.56 N ATOM 746 CA VAL B 66 23.225 -2.597 -0.380 1.00 2.91 C ATOM 747 C VAL B 66 23.249 -3.523 -1.591 1.00 4.32 C ATOM 748 O VAL B 66 23.103 -3.078 -2.730 1.00 4.96 O ATOM 749 CB VAL B 66 24.671 -2.294 0.051 1.00 5.18 C ATOM 750 CG1 VAL B 66 25.364 -1.422 -0.983 1.00 5.77 C ATOM 751 CG2 VAL B 66 24.692 -1.631 1.420 1.00 6.68 C ATOM 0 H VAL B 66 22.974 -3.295 1.581 1.00 2.56 H new ATOM 0 HA VAL B 66 22.734 -1.662 -0.649 1.00 2.91 H new ATOM 0 HB VAL B 66 25.215 -3.236 0.121 1.00 5.18 H new ATOM 0 HG11 VAL B 66 26.385 -1.218 -0.661 1.00 5.77 H new ATOM 0 HG12 VAL B 66 25.382 -1.940 -1.942 1.00 5.77 H new ATOM 0 HG13 VAL B 66 24.822 -0.482 -1.088 1.00 5.77 H new ATOM 0 HG21 VAL B 66 25.723 -1.424 1.708 1.00 6.68 H new ATOM 0 HG22 VAL B 66 24.132 -0.697 1.380 1.00 6.68 H new ATOM 0 HG23 VAL B 66 24.237 -2.296 2.154 1.00 6.68 H new ATOM 761 N LYS B 67 23.433 -4.812 -1.336 1.00 5.78 N ATOM 762 CA LYS B 67 23.476 -5.807 -2.401 1.00 8.08 C ATOM 763 C LYS B 67 22.223 -5.731 -3.266 1.00 9.11 C ATOM 764 O LYS B 67 22.304 -5.529 -4.479 1.00 10.11 O ATOM 765 CB LYS B 67 23.618 -7.211 -1.809 1.00 10.49 C ATOM 766 CG LYS B 67 24.080 -8.254 -2.813 1.00 11.28 C ATOM 767 CD LYS B 67 23.887 -9.664 -2.279 1.00 14.00 C ATOM 768 CE LYS B 67 23.593 -10.649 -3.398 1.00 15.79 C ATOM 769 NZ LYS B 67 24.823 -11.352 -3.859 1.00 17.36 N ATOM 0 H LYS B 67 23.555 -5.194 -0.398 1.00 5.78 H new ATOM 0 HA LYS B 67 24.342 -5.596 -3.029 1.00 8.08 H new ATOM 0 HB2 LYS B 67 24.327 -7.177 -0.982 1.00 10.49 H new ATOM 0 HB3 LYS B 67 22.658 -7.519 -1.394 1.00 10.49 H new ATOM 0 HG2 LYS B 67 23.524 -8.137 -3.743 1.00 11.28 H new ATOM 0 HG3 LYS B 67 25.132 -8.094 -3.048 1.00 11.28 H new ATOM 0 HD2 LYS B 67 24.783 -9.977 -1.744 1.00 14.00 H new ATOM 0 HD3 LYS B 67 23.067 -9.673 -1.561 1.00 14.00 H new ATOM 0 HE2 LYS B 67 22.864 -11.382 -3.053 1.00 15.79 H new ATOM 0 HE3 LYS B 67 23.141 -10.120 -4.237 1.00 15.79 H new ATOM 0 HZ1 LYS B 67 24.653 -11.772 -4.795 1.00 17.36 H new ATOM 0 HZ2 LYS B 67 25.608 -10.673 -3.922 1.00 17.36 H new ATOM 0 HZ3 LYS B 67 25.068 -12.103 -3.182 1.00 17.36 H new ATOM 783 N LYS B 68 21.064 -5.892 -2.636 1.00 9.48 N ATOM 784 CA LYS B 68 19.793 -5.838 -3.349 1.00 11.12 C ATOM 785 C LYS B 68 19.687 -4.556 -4.169 1.00 10.88 C ATOM 786 O LYS B 68 19.164 -4.562 -5.283 1.00 11.72 O ATOM 787 CB LYS B 68 18.627 -5.924 -2.363 1.00 10.98 C ATOM 788 CG LYS B 68 18.015 -7.312 -2.267 1.00 13.06 C ATOM 789 CD LYS B 68 18.615 -8.107 -1.120 1.00 14.42 C ATOM 790 CE LYS B 68 17.616 -9.099 -0.548 1.00 16.36 C ATOM 791 NZ LYS B 68 18.215 -10.450 -0.370 1.00 18.57 N ATOM 0 H LYS B 68 20.979 -6.061 -1.634 1.00 9.48 H new ATOM 0 HA LYS B 68 19.748 -6.689 -4.028 1.00 11.12 H new ATOM 0 HB2 LYS B 68 18.973 -5.619 -1.375 1.00 10.98 H new ATOM 0 HB3 LYS B 68 17.855 -5.215 -2.663 1.00 10.98 H new ATOM 0 HG2 LYS B 68 16.937 -7.227 -2.127 1.00 13.06 H new ATOM 0 HG3 LYS B 68 18.174 -7.846 -3.204 1.00 13.06 H new ATOM 0 HD2 LYS B 68 19.500 -8.640 -1.469 1.00 14.42 H new ATOM 0 HD3 LYS B 68 18.942 -7.425 -0.335 1.00 14.42 H new ATOM 0 HE2 LYS B 68 17.251 -8.734 0.412 1.00 16.36 H new ATOM 0 HE3 LYS B 68 16.754 -9.169 -1.211 1.00 16.36 H new ATOM 0 HZ1 LYS B 68 17.502 -11.097 0.022 1.00 18.57 H new ATOM 0 HZ2 LYS B 68 18.540 -10.810 -1.290 1.00 18.57 H new ATOM 0 HZ3 LYS B 68 19.022 -10.389 0.283 1.00 18.57 H new ATOM 805 N MET B 69 20.188 -3.460 -3.610 1.00 10.35 N ATOM 806 CA MET B 69 20.152 -2.171 -4.289 1.00 11.04 C ATOM 807 C MET B 69 21.049 -2.179 -5.522 1.00 12.36 C ATOM 808 O MET B 69 20.630 -1.787 -6.611 1.00 13.10 O ATOM 809 CB MET B 69 20.592 -1.057 -3.338 1.00 9.19 C ATOM 810 CG MET B 69 20.336 0.341 -3.879 1.00 10.14 C ATOM 811 SD MET B 69 21.306 1.602 -3.030 1.00 10.08 S ATOM 812 CE MET B 69 22.950 0.900 -3.143 1.00 8.53 C ATOM 0 H MET B 69 20.624 -3.439 -2.688 1.00 10.35 H new ATOM 0 HA MET B 69 19.126 -1.987 -4.607 1.00 11.04 H new ATOM 0 HB2 MET B 69 20.068 -1.172 -2.389 1.00 9.19 H new ATOM 0 HB3 MET B 69 21.656 -1.168 -3.130 1.00 9.19 H new ATOM 0 HG2 MET B 69 20.570 0.363 -4.943 1.00 10.14 H new ATOM 0 HG3 MET B 69 19.276 0.576 -3.781 1.00 10.14 H new ATOM 0 HE1 MET B 69 23.689 1.701 -3.139 1.00 8.53 H new ATOM 0 HE2 MET B 69 23.124 0.242 -2.292 1.00 8.53 H new ATOM 0 HE3 MET B 69 23.039 0.329 -4.067 1.00 8.53 H new ATOM 822 N VAL B 70 22.286 -2.624 -5.339 1.00 12.74 N ATOM 823 CA VAL B 70 23.248 -2.679 -6.433 1.00 14.07 C ATOM 824 C VAL B 70 22.915 -3.802 -7.410 1.00 15.43 C ATOM 825 O VAL B 70 23.286 -3.744 -8.582 1.00 15.51 O ATOM 826 CB VAL B 70 24.682 -2.869 -5.904 1.00 12.68 C ATOM 827 CG1 VAL B 70 25.676 -2.943 -7.053 1.00 12.89 C ATOM 828 CG2 VAL B 70 25.044 -1.741 -4.949 1.00 10.74 C ATOM 0 H VAL B 70 22.647 -2.952 -4.443 1.00 12.74 H new ATOM 0 HA VAL B 70 23.187 -1.726 -6.959 1.00 14.07 H new ATOM 0 HB VAL B 70 24.728 -3.812 -5.359 1.00 12.68 H new ATOM 0 HG11 VAL B 70 26.682 -3.077 -6.656 1.00 12.89 H new ATOM 0 HG12 VAL B 70 25.425 -3.785 -7.698 1.00 12.89 H new ATOM 0 HG13 VAL B 70 25.634 -2.019 -7.630 1.00 12.89 H new ATOM 0 HG21 VAL B 70 26.060 -1.887 -4.582 1.00 10.74 H new ATOM 0 HG22 VAL B 70 24.981 -0.787 -5.472 1.00 10.74 H new ATOM 0 HG23 VAL B 70 24.351 -1.740 -4.108 1.00 10.74 H new ATOM 838 N PHE B 71 22.212 -4.821 -6.927 1.00 16.80 N ATOM 839 CA PHE B 71 21.832 -5.948 -7.772 1.00 18.59 C ATOM 840 C PHE B 71 20.975 -5.478 -8.941 1.00 19.88 C ATOM 841 O PHE B 71 21.238 -5.819 -10.094 1.00 20.02 O ATOM 842 CB PHE B 71 21.076 -7.001 -6.959 1.00 20.51 C ATOM 843 CG PHE B 71 20.794 -8.258 -7.732 1.00 21.93 C ATOM 844 CD1 PHE B 71 21.759 -8.793 -8.596 1.00 22.15 C ATOM 845 CD2 PHE B 71 19.562 -8.913 -7.605 1.00 23.39 C ATOM 846 CE1 PHE B 71 21.501 -9.961 -9.320 1.00 23.81 C ATOM 847 CE2 PHE B 71 19.297 -10.082 -8.326 1.00 24.92 C ATOM 848 CZ PHE B 71 20.268 -10.605 -9.184 1.00 25.13 C ATOM 0 H PHE B 71 21.895 -4.890 -5.960 1.00 16.80 H new ATOM 0 HA PHE B 71 22.744 -6.398 -8.165 1.00 18.59 H new ATOM 0 HB2 PHE B 71 21.657 -7.251 -6.071 1.00 20.51 H new ATOM 0 HB3 PHE B 71 20.134 -6.576 -6.614 1.00 20.51 H new ATOM 0 HD1 PHE B 71 22.713 -8.298 -8.704 1.00 22.15 H new ATOM 0 HD2 PHE B 71 18.809 -8.511 -6.943 1.00 23.39 H new ATOM 0 HE1 PHE B 71 22.252 -10.364 -9.983 1.00 23.81 H new ATOM 0 HE2 PHE B 71 18.344 -10.579 -8.220 1.00 24.92 H new ATOM 0 HZ PHE B 71 20.066 -11.507 -9.742 1.00 25.13 H new ATOM 858 N ASP B 72 19.950 -4.689 -8.638 1.00 21.04 N ATOM 859 CA ASP B 72 19.058 -4.168 -9.666 1.00 22.73 C ATOM 860 C ASP B 72 19.813 -3.239 -10.610 1.00 21.58 C ATOM 861 O ASP B 72 19.673 -3.328 -11.830 1.00 21.69 O ATOM 862 CB ASP B 72 17.883 -3.424 -9.029 1.00 24.54 C ATOM 863 CG ASP B 72 16.582 -3.653 -9.772 1.00 27.04 C ATOM 864 OD1 ASP B 72 16.635 -3.954 -10.984 1.00 27.43 O ATOM 865 OD2 ASP B 72 15.509 -3.533 -9.144 1.00 28.71 O ATOM 0 H ASP B 72 19.717 -4.397 -7.689 1.00 21.04 H new ATOM 0 HA ASP B 72 18.671 -5.010 -10.239 1.00 22.73 H new ATOM 0 HB2 ASP B 72 17.769 -3.748 -7.995 1.00 24.54 H new ATOM 0 HB3 ASP B 72 18.102 -2.356 -9.006 1.00 24.54 H new ATOM 870 N THR B 73 20.619 -2.351 -10.036 1.00 20.72 N ATOM 871 CA THR B 73 21.402 -1.408 -10.826 1.00 19.85 C ATOM 872 C THR B 73 22.206 -2.136 -11.897 1.00 19.98 C ATOM 873 O THR B 73 22.168 -1.771 -13.073 1.00 21.12 O ATOM 874 CB THR B 73 22.342 -0.612 -9.919 1.00 17.14 C ATOM 875 OG1 THR B 73 21.606 0.196 -9.018 1.00 16.90 O ATOM 876 CG2 THR B 73 23.286 0.294 -10.681 1.00 16.23 C ATOM 0 H THR B 73 20.747 -2.265 -9.028 1.00 20.72 H new ATOM 0 HA THR B 73 20.713 -0.721 -11.318 1.00 19.85 H new ATOM 0 HB THR B 73 22.931 -1.360 -9.388 1.00 17.14 H new ATOM 0 HG1 THR B 73 21.287 -0.353 -8.272 1.00 16.90 H new ATOM 0 HG21 THR B 73 23.924 0.829 -9.978 1.00 16.23 H new ATOM 0 HG22 THR B 73 23.905 -0.305 -11.349 1.00 16.23 H new ATOM 0 HG23 THR B 73 22.710 1.011 -11.265 1.00 16.23 H new ATOM 884 N LEU B 74 22.933 -3.169 -11.482 1.00 18.98 N ATOM 885 CA LEU B 74 23.748 -3.952 -12.404 1.00 19.09 C ATOM 886 C LEU B 74 22.878 -4.624 -13.460 1.00 20.99 C ATOM 887 O LEU B 74 23.235 -4.665 -14.637 1.00 21.31 O ATOM 888 CB LEU B 74 24.550 -5.006 -11.639 1.00 16.91 C ATOM 889 CG LEU B 74 25.612 -4.447 -10.690 1.00 14.72 C ATOM 890 CD1 LEU B 74 26.009 -5.491 -9.658 1.00 14.91 C ATOM 891 CD2 LEU B 74 26.827 -3.977 -11.473 1.00 12.41 C ATOM 0 H LEU B 74 22.974 -3.483 -10.512 1.00 18.98 H new ATOM 0 HA LEU B 74 24.439 -3.275 -12.906 1.00 19.09 H new ATOM 0 HB2 LEU B 74 23.858 -5.621 -11.064 1.00 16.91 H new ATOM 0 HB3 LEU B 74 25.037 -5.663 -12.359 1.00 16.91 H new ATOM 0 HG LEU B 74 25.190 -3.591 -10.164 1.00 14.72 H new ATOM 0 HD11 LEU B 74 26.765 -5.075 -8.992 1.00 14.91 H new ATOM 0 HD12 LEU B 74 25.133 -5.780 -9.077 1.00 14.91 H new ATOM 0 HD13 LEU B 74 26.414 -6.367 -10.164 1.00 14.91 H new ATOM 0 HD21 LEU B 74 27.573 -3.582 -10.784 1.00 12.41 H new ATOM 0 HD22 LEU B 74 27.251 -4.816 -12.025 1.00 12.41 H new ATOM 0 HD23 LEU B 74 26.529 -3.196 -12.172 1.00 12.41 H new ATOM 903 N LYS B 75 21.732 -5.148 -13.033 1.00 22.35 N ATOM 904 CA LYS B 75 20.811 -5.817 -13.946 1.00 24.43 C ATOM 905 C LYS B 75 20.535 -4.944 -15.166 1.00 26.34 C ATOM 906 O LYS B 75 20.444 -5.438 -16.290 1.00 27.94 O ATOM 907 CB LYS B 75 19.499 -6.149 -13.232 1.00 24.44 C ATOM 908 CG LYS B 75 18.716 -7.276 -13.887 1.00 25.33 C ATOM 909 CD LYS B 75 18.653 -8.502 -12.991 1.00 24.50 C ATOM 910 CE LYS B 75 17.455 -9.376 -13.328 1.00 26.23 C ATOM 911 NZ LYS B 75 17.784 -10.394 -14.365 1.00 25.69 N ATOM 0 H LYS B 75 21.420 -5.122 -12.062 1.00 22.35 H new ATOM 0 HA LYS B 75 21.275 -6.745 -14.280 1.00 24.43 H new ATOM 0 HB2 LYS B 75 19.716 -6.422 -12.199 1.00 24.44 H new ATOM 0 HB3 LYS B 75 18.876 -5.255 -13.201 1.00 24.44 H new ATOM 0 HG2 LYS B 75 17.705 -6.936 -14.112 1.00 25.33 H new ATOM 0 HG3 LYS B 75 19.182 -7.541 -14.836 1.00 25.33 H new ATOM 0 HD2 LYS B 75 19.570 -9.081 -13.100 1.00 24.50 H new ATOM 0 HD3 LYS B 75 18.595 -8.190 -11.948 1.00 24.50 H new ATOM 0 HE2 LYS B 75 17.106 -9.877 -12.425 1.00 26.23 H new ATOM 0 HE3 LYS B 75 16.636 -8.749 -13.681 1.00 26.23 H new ATOM 0 HZ1 LYS B 75 17.098 -10.331 -15.144 1.00 25.69 H new ATOM 0 HZ2 LYS B 75 18.741 -10.219 -14.732 1.00 25.69 H new ATOM 0 HZ3 LYS B 75 17.743 -11.344 -13.944 1.00 25.69 H new ATOM 925 N ASP B 76 20.410 -3.642 -14.933 1.00 26.35 N ATOM 926 CA ASP B 76 20.153 -2.693 -16.006 1.00 28.29 C ATOM 927 C ASP B 76 21.446 -2.346 -16.735 1.00 28.78 C ATOM 928 O ASP B 76 21.451 -2.134 -17.949 1.00 30.71 O ATOM 929 CB ASP B 76 19.510 -1.423 -15.448 1.00 28.13 C ATOM 930 CG ASP B 76 19.236 -0.390 -16.524 1.00 28.98 C ATOM 931 OD1 ASP B 76 18.481 -0.703 -17.468 1.00 29.21 O ATOM 932 OD2 ASP B 76 19.778 0.730 -16.423 1.00 29.56 O ATOM 0 H ASP B 76 20.483 -3.220 -14.007 1.00 26.35 H new ATOM 0 HA ASP B 76 19.466 -3.155 -16.715 1.00 28.29 H new ATOM 0 HB2 ASP B 76 18.575 -1.681 -14.950 1.00 28.13 H new ATOM 0 HB3 ASP B 76 20.165 -0.990 -14.692 1.00 28.13 H new ATOM 937 N LEU B 77 22.542 -2.292 -15.985 1.00 27.08 N ATOM 938 CA LEU B 77 23.847 -1.975 -16.552 1.00 27.41 C ATOM 939 C LEU B 77 24.225 -2.977 -17.637 1.00 29.01 C ATOM 940 O LEU B 77 24.738 -2.602 -18.692 1.00 30.43 O ATOM 941 CB LEU B 77 24.910 -1.971 -15.450 1.00 25.22 C ATOM 942 CG LEU B 77 25.018 -0.667 -14.656 1.00 23.81 C ATOM 943 CD1 LEU B 77 25.845 -0.879 -13.397 1.00 21.39 C ATOM 944 CD2 LEU B 77 25.623 0.433 -15.514 1.00 24.75 C ATOM 0 H LEU B 77 22.552 -2.464 -14.980 1.00 27.08 H new ATOM 0 HA LEU B 77 23.794 -0.984 -17.003 1.00 27.41 H new ATOM 0 HB2 LEU B 77 24.695 -2.784 -14.756 1.00 25.22 H new ATOM 0 HB3 LEU B 77 25.879 -2.185 -15.901 1.00 25.22 H new ATOM 0 HG LEU B 77 24.015 -0.358 -14.362 1.00 23.81 H new ATOM 0 HD11 LEU B 77 25.912 0.058 -12.844 1.00 21.39 H new ATOM 0 HD12 LEU B 77 25.370 -1.636 -12.773 1.00 21.39 H new ATOM 0 HD13 LEU B 77 26.846 -1.211 -13.671 1.00 21.39 H new ATOM 0 HD21 LEU B 77 25.692 1.352 -14.932 1.00 24.75 H new ATOM 0 HD22 LEU B 77 26.620 0.134 -15.839 1.00 24.75 H new ATOM 0 HD23 LEU B 77 24.992 0.602 -16.387 1.00 24.75 H new ATOM 956 N TYR B 78 23.965 -4.253 -17.371 1.00 28.99 N ATOM 957 CA TYR B 78 24.275 -5.312 -18.324 1.00 30.67 C ATOM 958 C TYR B 78 23.217 -5.382 -19.421 1.00 32.49 C ATOM 959 O TYR B 78 23.538 -5.460 -20.606 1.00 32.55 O ATOM 960 CB TYR B 78 24.365 -6.659 -17.605 1.00 31.78 C ATOM 961 CG TYR B 78 25.718 -6.932 -16.987 1.00 31.19 C ATOM 962 CD1 TYR B 78 26.903 -6.635 -17.682 1.00 31.44 C ATOM 963 CD2 TYR B 78 25.822 -7.489 -15.701 1.00 30.66 C ATOM 964 CE1 TYR B 78 28.155 -6.888 -17.113 1.00 31.07 C ATOM 965 CE2 TYR B 78 27.071 -7.744 -15.125 1.00 30.32 C ATOM 966 CZ TYR B 78 28.232 -7.441 -15.835 1.00 30.48 C ATOM 967 OH TYR B 78 29.462 -7.690 -15.271 1.00 30.33 O ATOM 0 H TYR B 78 23.540 -4.579 -16.503 1.00 28.99 H new ATOM 0 HA TYR B 78 25.237 -5.085 -18.783 1.00 30.67 H new ATOM 0 HB2 TYR B 78 23.605 -6.695 -16.824 1.00 31.78 H new ATOM 0 HB3 TYR B 78 24.132 -7.454 -18.313 1.00 31.78 H new ATOM 0 HD1 TYR B 78 26.846 -6.205 -18.671 1.00 31.44 H new ATOM 0 HD2 TYR B 78 24.924 -7.724 -15.149 1.00 30.66 H new ATOM 0 HE1 TYR B 78 29.057 -6.657 -17.660 1.00 31.07 H new ATOM 0 HE2 TYR B 78 27.136 -8.173 -14.136 1.00 30.32 H new ATOM 0 HH TYR B 78 29.356 -7.845 -14.309 1.00 30.33 H new ATOM 977 N LYS B 79 21.952 -5.355 -19.013 1.00 34.04 N ATOM 978 CA LYS B 79 20.839 -5.416 -19.954 1.00 35.99 C ATOM 979 C LYS B 79 20.968 -4.339 -21.028 1.00 36.64 C ATOM 980 O LYS B 79 20.474 -4.499 -22.143 1.00 36.83 O ATOM 981 CB LYS B 79 19.512 -5.255 -19.211 1.00 35.69 C ATOM 982 CG LYS B 79 18.307 -5.149 -20.130 1.00 37.53 C ATOM 983 CD LYS B 79 17.060 -5.726 -19.482 1.00 38.96 C ATOM 984 CE LYS B 79 16.124 -4.629 -19.002 1.00 38.57 C ATOM 985 NZ LYS B 79 14.736 -5.130 -18.801 1.00 40.42 N ATOM 0 H LYS B 79 21.672 -5.291 -18.034 1.00 34.04 H new ATOM 0 HA LYS B 79 20.862 -6.390 -20.442 1.00 35.99 H new ATOM 0 HB2 LYS B 79 19.374 -6.105 -18.543 1.00 35.69 H new ATOM 0 HB3 LYS B 79 19.561 -4.363 -18.586 1.00 35.69 H new ATOM 0 HG2 LYS B 79 18.135 -4.104 -20.386 1.00 37.53 H new ATOM 0 HG3 LYS B 79 18.511 -5.676 -21.062 1.00 37.53 H new ATOM 0 HD2 LYS B 79 16.539 -6.364 -20.196 1.00 38.96 H new ATOM 0 HD3 LYS B 79 17.345 -6.357 -18.640 1.00 38.96 H new ATOM 0 HE2 LYS B 79 16.500 -4.216 -18.066 1.00 38.57 H new ATOM 0 HE3 LYS B 79 16.115 -3.816 -19.728 1.00 38.57 H new ATOM 0 HZ1 LYS B 79 14.130 -4.351 -18.474 1.00 40.42 H new ATOM 0 HZ2 LYS B 79 14.367 -5.501 -19.700 1.00 40.42 H new ATOM 0 HZ3 LYS B 79 14.740 -5.888 -18.089 1.00 40.42 H new ATOM 1103 N ALA C 55 26.683 13.465 18.686 1.00 35.81 N ATOM 1104 CA ALA C 55 26.130 12.204 18.211 1.00 34.68 C ATOM 1105 C ALA C 55 25.475 12.380 16.846 1.00 32.13 C ATOM 1106 O ALA C 55 25.652 11.554 15.951 1.00 31.27 O ATOM 1107 CB ALA C 55 25.130 11.652 19.215 1.00 35.07 C ATOM 0 HA ALA C 55 26.947 11.490 18.106 1.00 34.68 H new ATOM 0 HB1 ALA C 55 24.726 10.710 18.845 1.00 35.07 H new ATOM 0 HB2 ALA C 55 25.628 11.484 20.170 1.00 35.07 H new ATOM 0 HB3 ALA C 55 24.318 12.367 19.350 1.00 35.07 H new ATOM 1113 N GLU C 56 24.723 13.466 16.693 1.00 30.95 N ATOM 1114 CA GLU C 56 24.049 13.756 15.434 1.00 28.57 C ATOM 1115 C GLU C 56 25.067 14.033 14.337 1.00 28.59 C ATOM 1116 O GLU C 56 25.016 13.439 13.260 1.00 28.60 O ATOM 1117 CB GLU C 56 23.111 14.954 15.594 1.00 27.59 C ATOM 1118 CG GLU C 56 21.840 14.845 14.768 1.00 26.39 C ATOM 1119 CD GLU C 56 21.143 16.180 14.594 1.00 25.53 C ATOM 1120 OE1 GLU C 56 20.729 16.771 15.614 1.00 24.91 O ATOM 1121 OE2 GLU C 56 21.010 16.634 13.438 1.00 25.69 O ATOM 0 H GLU C 56 24.566 14.158 17.425 1.00 30.95 H new ATOM 0 HA GLU C 56 23.459 12.884 15.152 1.00 28.57 H new ATOM 0 HB2 GLU C 56 22.843 15.058 16.646 1.00 27.59 H new ATOM 0 HB3 GLU C 56 23.643 15.862 15.309 1.00 27.59 H new ATOM 0 HG2 GLU C 56 22.082 14.435 13.788 1.00 26.39 H new ATOM 0 HG3 GLU C 56 21.158 14.143 15.248 1.00 26.39 H new ATOM 1128 N ARG C 57 25.997 14.936 14.624 1.00 28.80 N ATOM 1129 CA ARG C 57 27.040 15.290 13.670 1.00 29.14 C ATOM 1130 C ARG C 57 27.905 14.077 13.355 1.00 27.52 C ATOM 1131 O ARG C 57 28.220 13.806 12.196 1.00 27.11 O ATOM 1132 CB ARG C 57 27.908 16.420 14.225 1.00 31.14 C ATOM 1133 CG ARG C 57 27.399 17.809 13.878 1.00 31.84 C ATOM 1134 CD ARG C 57 28.192 18.887 14.600 1.00 34.09 C ATOM 1135 NE ARG C 57 29.572 18.959 14.129 1.00 35.87 N ATOM 1136 CZ ARG C 57 30.451 19.856 14.559 1.00 37.22 C ATOM 1137 NH1 ARG C 57 30.094 20.756 15.466 1.00 37.05 N ATOM 1138 NH2 ARG C 57 31.689 19.856 14.083 1.00 38.83 N ATOM 0 H ARG C 57 26.050 15.437 15.511 1.00 28.80 H new ATOM 0 HA ARG C 57 26.564 15.631 12.751 1.00 29.14 H new ATOM 0 HB2 ARG C 57 27.964 16.324 15.309 1.00 31.14 H new ATOM 0 HB3 ARG C 57 28.922 16.308 13.842 1.00 31.14 H new ATOM 0 HG2 ARG C 57 27.467 17.965 12.801 1.00 31.84 H new ATOM 0 HG3 ARG C 57 26.345 17.889 14.146 1.00 31.84 H new ATOM 0 HD2 ARG C 57 27.708 19.853 14.453 1.00 34.09 H new ATOM 0 HD3 ARG C 57 28.185 18.686 15.671 1.00 34.09 H new ATOM 0 HE ARG C 57 29.878 18.282 13.430 1.00 35.87 H new ATOM 0 HH11 ARG C 57 29.143 20.759 15.834 1.00 37.05 H new ATOM 0 HH12 ARG C 57 30.771 21.444 15.795 1.00 37.05 H new ATOM 0 HH21 ARG C 57 31.967 19.166 13.385 1.00 38.83 H new ATOM 0 HH22 ARG C 57 32.363 20.546 14.415 1.00 38.83 H new ATOM 1152 N LEU C 58 28.280 13.349 14.400 1.00 26.82 N ATOM 1153 CA LEU C 58 29.105 12.156 14.249 1.00 25.35 C ATOM 1154 C LEU C 58 28.447 11.162 13.296 1.00 23.06 C ATOM 1155 O LEU C 58 29.079 10.672 12.361 1.00 23.26 O ATOM 1156 CB LEU C 58 29.342 11.497 15.609 1.00 25.40 C ATOM 1157 CG LEU C 58 30.482 12.100 16.432 1.00 27.64 C ATOM 1158 CD1 LEU C 58 30.722 11.286 17.693 1.00 27.38 C ATOM 1159 CD2 LEU C 58 31.751 12.181 15.599 1.00 28.44 C ATOM 0 H LEU C 58 28.025 13.565 15.364 1.00 26.82 H new ATOM 0 HA LEU C 58 30.065 12.457 13.829 1.00 25.35 H new ATOM 0 HB2 LEU C 58 28.422 11.559 16.191 1.00 25.40 H new ATOM 0 HB3 LEU C 58 29.549 10.438 15.451 1.00 25.40 H new ATOM 0 HG LEU C 58 30.197 13.110 16.727 1.00 27.64 H new ATOM 0 HD11 LEU C 58 31.537 11.731 18.264 1.00 27.38 H new ATOM 0 HD12 LEU C 58 29.816 11.278 18.299 1.00 27.38 H new ATOM 0 HD13 LEU C 58 30.986 10.264 17.422 1.00 27.38 H new ATOM 0 HD21 LEU C 58 32.553 12.612 16.198 1.00 28.44 H new ATOM 0 HD22 LEU C 58 32.038 11.181 15.275 1.00 28.44 H new ATOM 0 HD23 LEU C 58 31.573 12.808 14.726 1.00 28.44 H new ATOM 1171 N ALA C 59 27.173 10.873 13.541 1.00 20.91 N ATOM 1172 CA ALA C 59 26.428 9.940 12.704 1.00 18.67 C ATOM 1173 C ALA C 59 26.558 10.307 11.230 1.00 18.84 C ATOM 1174 O ALA C 59 26.652 9.433 10.368 1.00 19.44 O ATOM 1175 CB ALA C 59 24.964 9.913 13.117 1.00 17.62 C ATOM 0 H ALA C 59 26.636 11.271 14.311 1.00 20.91 H new ATOM 0 HA ALA C 59 26.850 8.945 12.844 1.00 18.67 H new ATOM 0 HB1 ALA C 59 24.420 9.212 12.484 1.00 17.62 H new ATOM 0 HB2 ALA C 59 24.885 9.598 14.158 1.00 17.62 H new ATOM 0 HB3 ALA C 59 24.536 10.909 13.006 1.00 17.62 H new ATOM 1181 N ASP C 60 26.563 11.607 10.948 1.00 18.40 N ATOM 1182 CA ASP C 60 26.684 12.092 9.580 1.00 18.50 C ATOM 1183 C ASP C 60 28.109 11.913 9.066 1.00 18.98 C ATOM 1184 O ASP C 60 28.324 11.638 7.886 1.00 18.67 O ATOM 1185 CB ASP C 60 26.282 13.565 9.501 1.00 18.12 C ATOM 1186 CG ASP C 60 25.030 13.780 8.674 1.00 17.22 C ATOM 1187 OD1 ASP C 60 24.871 13.085 7.648 1.00 17.71 O ATOM 1188 OD2 ASP C 60 24.207 14.641 9.052 1.00 16.19 O ATOM 0 H ASP C 60 26.485 12.342 11.650 1.00 18.40 H new ATOM 0 HA ASP C 60 26.013 11.507 8.952 1.00 18.50 H new ATOM 0 HB2 ASP C 60 26.119 13.949 10.508 1.00 18.12 H new ATOM 0 HB3 ASP C 60 27.102 14.140 9.070 1.00 18.12 H new ATOM 1193 N GLU C 61 29.079 12.068 9.962 1.00 19.81 N ATOM 1194 CA GLU C 61 30.483 11.921 9.601 1.00 20.34 C ATOM 1195 C GLU C 61 30.814 10.466 9.297 1.00 20.70 C ATOM 1196 O GLU C 61 31.450 10.158 8.288 1.00 21.22 O ATOM 1197 CB GLU C 61 31.380 12.437 10.728 1.00 20.32 C ATOM 1198 CG GLU C 61 32.507 13.335 10.246 1.00 20.67 C ATOM 1199 CD GLU C 61 33.221 14.035 11.385 1.00 20.60 C ATOM 1200 OE1 GLU C 61 32.667 15.020 11.918 1.00 20.34 O ATOM 1201 OE2 GLU C 61 34.335 13.599 11.745 1.00 20.89 O ATOM 0 H GLU C 61 28.917 12.295 10.943 1.00 19.81 H new ATOM 0 HA GLU C 61 30.666 12.512 8.704 1.00 20.34 H new ATOM 0 HB2 GLU C 61 30.769 12.987 11.444 1.00 20.32 H new ATOM 0 HB3 GLU C 61 31.807 11.587 11.260 1.00 20.32 H new ATOM 0 HG2 GLU C 61 33.226 12.740 9.683 1.00 20.67 H new ATOM 0 HG3 GLU C 61 32.105 14.081 9.561 1.00 20.67 H new ATOM 1208 N GLN C 62 30.377 9.574 10.176 1.00 20.44 N ATOM 1209 CA GLN C 62 30.622 8.148 10.005 1.00 20.75 C ATOM 1210 C GLN C 62 30.007 7.647 8.703 1.00 19.25 C ATOM 1211 O GLN C 62 30.609 6.846 7.987 1.00 20.07 O ATOM 1212 CB GLN C 62 30.051 7.362 11.188 1.00 20.47 C ATOM 1213 CG GLN C 62 30.581 7.822 12.535 1.00 23.08 C ATOM 1214 CD GLN C 62 32.096 7.798 12.603 1.00 23.75 C ATOM 1215 OE1 GLN C 62 32.759 7.216 11.744 1.00 23.99 O ATOM 1216 NE2 GLN C 62 32.652 8.431 13.629 1.00 24.08 N ATOM 0 H GLN C 62 29.850 9.813 11.016 1.00 20.44 H new ATOM 0 HA GLN C 62 31.700 7.992 9.964 1.00 20.75 H new ATOM 0 HB2 GLN C 62 28.965 7.453 11.184 1.00 20.47 H new ATOM 0 HB3 GLN C 62 30.283 6.305 11.057 1.00 20.47 H new ATOM 0 HG2 GLN C 62 30.228 8.834 12.734 1.00 23.08 H new ATOM 0 HG3 GLN C 62 30.175 7.182 13.319 1.00 23.08 H new ATOM 0 HE21 GLN C 62 32.064 8.900 14.318 1.00 24.08 H new ATOM 0 HE22 GLN C 62 33.667 8.448 13.728 1.00 24.08 H new ATOM 1225 N SER C 63 28.804 8.125 8.402 1.00 17.24 N ATOM 1226 CA SER C 63 28.107 7.729 7.184 1.00 15.97 C ATOM 1227 C SER C 63 28.830 8.253 5.949 1.00 16.05 C ATOM 1228 O SER C 63 28.817 7.619 4.893 1.00 14.38 O ATOM 1229 CB SER C 63 26.666 8.243 7.205 1.00 16.60 C ATOM 1230 OG SER C 63 25.901 7.580 8.196 1.00 17.02 O ATOM 0 H SER C 63 28.292 8.787 8.985 1.00 17.24 H new ATOM 0 HA SER C 63 28.095 6.640 7.140 1.00 15.97 H new ATOM 0 HB2 SER C 63 26.662 9.316 7.396 1.00 16.60 H new ATOM 0 HB3 SER C 63 26.209 8.092 6.227 1.00 16.60 H new ATOM 0 HG SER C 63 25.886 8.120 9.014 1.00 17.02 H new ATOM 1236 N GLU C 64 29.465 9.414 6.088 1.00 18.24 N ATOM 1237 CA GLU C 64 30.196 10.019 4.982 1.00 18.82 C ATOM 1238 C GLU C 64 31.308 9.093 4.503 1.00 17.47 C ATOM 1239 O GLU C 64 31.438 8.827 3.308 1.00 17.01 O ATOM 1240 CB GLU C 64 30.788 11.365 5.408 1.00 21.52 C ATOM 1241 CG GLU C 64 30.010 12.564 4.890 1.00 22.25 C ATOM 1242 CD GLU C 64 30.826 13.841 4.910 1.00 25.00 C ATOM 1243 OE1 GLU C 64 31.594 14.070 3.952 1.00 25.47 O ATOM 1244 OE2 GLU C 64 30.698 14.613 5.884 1.00 26.84 O ATOM 0 H GLU C 64 29.487 9.952 6.954 1.00 18.24 H new ATOM 0 HA GLU C 64 29.498 10.182 4.161 1.00 18.82 H new ATOM 0 HB2 GLU C 64 30.824 11.408 6.497 1.00 21.52 H new ATOM 0 HB3 GLU C 64 31.816 11.429 5.053 1.00 21.52 H new ATOM 0 HG2 GLU C 64 29.679 12.365 3.871 1.00 22.25 H new ATOM 0 HG3 GLU C 64 29.114 12.700 5.496 1.00 22.25 H new ATOM 1251 N LEU C 65 32.106 8.604 5.445 1.00 16.90 N ATOM 1252 CA LEU C 65 33.206 7.704 5.122 1.00 15.71 C ATOM 1253 C LEU C 65 32.700 6.484 4.360 1.00 14.22 C ATOM 1254 O LEU C 65 33.291 6.074 3.361 1.00 14.26 O ATOM 1255 CB LEU C 65 33.923 7.264 6.400 1.00 16.10 C ATOM 1256 CG LEU C 65 34.398 8.409 7.298 1.00 16.97 C ATOM 1257 CD1 LEU C 65 34.282 8.020 8.765 1.00 15.60 C ATOM 1258 CD2 LEU C 65 35.829 8.794 6.956 1.00 19.05 C ATOM 0 H LEU C 65 32.012 8.816 6.438 1.00 16.90 H new ATOM 0 HA LEU C 65 33.911 8.240 4.487 1.00 15.71 H new ATOM 0 HB2 LEU C 65 33.252 6.625 6.974 1.00 16.10 H new ATOM 0 HB3 LEU C 65 34.785 6.656 6.125 1.00 16.10 H new ATOM 0 HG LEU C 65 33.759 9.274 7.122 1.00 16.97 H new ATOM 0 HD11 LEU C 65 34.624 8.846 9.389 1.00 15.60 H new ATOM 0 HD12 LEU C 65 33.242 7.794 9.000 1.00 15.60 H new ATOM 0 HD13 LEU C 65 34.897 7.141 8.958 1.00 15.60 H new ATOM 0 HD21 LEU C 65 36.151 9.609 7.604 1.00 19.05 H new ATOM 0 HD22 LEU C 65 36.482 7.934 7.103 1.00 19.05 H new ATOM 0 HD23 LEU C 65 35.881 9.115 5.916 1.00 19.05 H new ATOM 1270 N VAL C 66 31.597 5.910 4.835 1.00 13.33 N ATOM 1271 CA VAL C 66 31.009 4.741 4.196 1.00 12.15 C ATOM 1272 C VAL C 66 30.433 5.101 2.830 1.00 10.01 C ATOM 1273 O VAL C 66 30.664 4.403 1.844 1.00 9.69 O ATOM 1274 CB VAL C 66 29.899 4.122 5.066 1.00 12.97 C ATOM 1275 CG1 VAL C 66 29.290 2.910 4.377 1.00 12.00 C ATOM 1276 CG2 VAL C 66 30.447 3.746 6.434 1.00 15.25 C ATOM 0 H VAL C 66 31.094 6.237 5.660 1.00 13.33 H new ATOM 0 HA VAL C 66 31.807 4.009 4.072 1.00 12.15 H new ATOM 0 HB VAL C 66 29.112 4.864 5.203 1.00 12.97 H new ATOM 0 HG11 VAL C 66 28.508 2.487 5.008 1.00 12.00 H new ATOM 0 HG12 VAL C 66 28.861 3.212 3.421 1.00 12.00 H new ATOM 0 HG13 VAL C 66 30.064 2.161 4.207 1.00 12.00 H new ATOM 0 HG21 VAL C 66 29.651 3.310 7.038 1.00 15.25 H new ATOM 0 HG22 VAL C 66 31.252 3.021 6.317 1.00 15.25 H new ATOM 0 HG23 VAL C 66 30.831 4.638 6.930 1.00 15.25 H new ATOM 1286 N LYS C 67 29.688 6.198 2.778 1.00 9.09 N ATOM 1287 CA LYS C 67 29.092 6.651 1.529 1.00 7.06 C ATOM 1288 C LYS C 67 30.175 7.053 0.537 1.00 7.18 C ATOM 1289 O LYS C 67 29.967 7.017 -0.677 1.00 7.12 O ATOM 1290 CB LYS C 67 28.149 7.828 1.786 1.00 7.55 C ATOM 1291 CG LYS C 67 27.584 8.443 0.516 1.00 7.89 C ATOM 1292 CD LYS C 67 28.243 9.777 0.202 1.00 8.19 C ATOM 1293 CE LYS C 67 28.199 10.082 -1.287 1.00 7.72 C ATOM 1294 NZ LYS C 67 27.480 11.354 -1.572 1.00 7.35 N ATOM 0 H LYS C 67 29.483 6.789 3.584 1.00 9.09 H new ATOM 0 HA LYS C 67 28.518 5.828 1.103 1.00 7.06 H new ATOM 0 HB2 LYS C 67 27.325 7.492 2.415 1.00 7.55 H new ATOM 0 HB3 LYS C 67 28.684 8.596 2.345 1.00 7.55 H new ATOM 0 HG2 LYS C 67 27.732 7.758 -0.318 1.00 7.89 H new ATOM 0 HG3 LYS C 67 26.509 8.584 0.626 1.00 7.89 H new ATOM 0 HD2 LYS C 67 27.739 10.572 0.753 1.00 8.19 H new ATOM 0 HD3 LYS C 67 29.279 9.761 0.541 1.00 8.19 H new ATOM 0 HE2 LYS C 67 29.216 10.145 -1.675 1.00 7.72 H new ATOM 0 HE3 LYS C 67 27.708 9.262 -1.811 1.00 7.72 H new ATOM 0 HZ1 LYS C 67 27.472 11.526 -2.598 1.00 7.35 H new ATOM 0 HZ2 LYS C 67 26.502 11.285 -1.225 1.00 7.35 H new ATOM 0 HZ3 LYS C 67 27.963 12.141 -1.093 1.00 7.35 H new ATOM 1308 N LYS C 68 31.338 7.431 1.062 1.00 8.11 N ATOM 1309 CA LYS C 68 32.459 7.835 0.225 1.00 9.23 C ATOM 1310 C LYS C 68 33.176 6.615 -0.345 1.00 9.65 C ATOM 1311 O LYS C 68 33.541 6.591 -1.521 1.00 11.54 O ATOM 1312 CB LYS C 68 33.440 8.690 1.029 1.00 11.49 C ATOM 1313 CG LYS C 68 34.626 9.182 0.216 1.00 13.20 C ATOM 1314 CD LYS C 68 35.512 10.113 1.028 1.00 12.99 C ATOM 1315 CE LYS C 68 36.172 9.384 2.187 1.00 12.62 C ATOM 1316 NZ LYS C 68 37.620 9.710 2.296 1.00 13.79 N ATOM 0 H LYS C 68 31.526 7.465 2.064 1.00 8.11 H new ATOM 0 HA LYS C 68 32.070 8.426 -0.604 1.00 9.23 H new ATOM 0 HB2 LYS C 68 32.909 9.549 1.438 1.00 11.49 H new ATOM 0 HB3 LYS C 68 33.806 8.109 1.875 1.00 11.49 H new ATOM 0 HG2 LYS C 68 35.211 8.329 -0.128 1.00 13.20 H new ATOM 0 HG3 LYS C 68 34.268 9.702 -0.673 1.00 13.20 H new ATOM 0 HD2 LYS C 68 36.279 10.542 0.383 1.00 12.99 H new ATOM 0 HD3 LYS C 68 34.917 10.942 1.410 1.00 12.99 H new ATOM 0 HE2 LYS C 68 35.669 9.650 3.117 1.00 12.62 H new ATOM 0 HE3 LYS C 68 36.051 8.309 2.056 1.00 12.62 H new ATOM 0 HZ1 LYS C 68 38.033 9.193 3.098 1.00 13.79 H new ATOM 0 HZ2 LYS C 68 38.105 9.433 1.419 1.00 13.79 H new ATOM 0 HZ3 LYS C 68 37.735 10.732 2.447 1.00 13.79 H new ATOM 1330 N MET C 69 33.373 5.601 0.494 1.00 8.06 N ATOM 1331 CA MET C 69 34.044 4.382 0.065 1.00 8.39 C ATOM 1332 C MET C 69 33.197 3.630 -0.959 1.00 6.88 C ATOM 1333 O MET C 69 33.724 2.901 -1.799 1.00 6.23 O ATOM 1334 CB MET C 69 34.353 3.484 1.268 1.00 8.73 C ATOM 1335 CG MET C 69 33.139 2.764 1.831 1.00 6.87 C ATOM 1336 SD MET C 69 33.586 1.412 2.935 1.00 7.69 S ATOM 1337 CE MET C 69 32.106 0.407 2.859 1.00 7.16 C ATOM 0 H MET C 69 33.078 5.601 1.470 1.00 8.06 H new ATOM 0 HA MET C 69 34.986 4.661 -0.408 1.00 8.39 H new ATOM 0 HB2 MET C 69 35.097 2.744 0.974 1.00 8.73 H new ATOM 0 HB3 MET C 69 34.800 4.091 2.056 1.00 8.73 H new ATOM 0 HG2 MET C 69 32.516 3.477 2.370 1.00 6.87 H new ATOM 0 HG3 MET C 69 32.539 2.374 1.009 1.00 6.87 H new ATOM 0 HE1 MET C 69 31.609 0.417 3.829 1.00 7.16 H new ATOM 0 HE2 MET C 69 31.432 0.808 2.102 1.00 7.16 H new ATOM 0 HE3 MET C 69 32.375 -0.617 2.600 1.00 7.16 H new ATOM 1347 N VAL C 70 31.882 3.821 -0.887 1.00 7.10 N ATOM 1348 CA VAL C 70 30.964 3.169 -1.811 1.00 7.44 C ATOM 1349 C VAL C 70 30.960 3.885 -3.159 1.00 7.90 C ATOM 1350 O VAL C 70 30.992 3.247 -4.211 1.00 7.79 O ATOM 1351 CB VAL C 70 29.528 3.116 -1.239 1.00 7.72 C ATOM 1352 CG1 VAL C 70 28.528 2.633 -2.283 1.00 9.14 C ATOM 1353 CG2 VAL C 70 29.487 2.218 -0.015 1.00 5.59 C ATOM 0 H VAL C 70 31.430 4.422 -0.198 1.00 7.10 H new ATOM 0 HA VAL C 70 31.313 2.146 -1.951 1.00 7.44 H new ATOM 0 HB VAL C 70 29.244 4.128 -0.951 1.00 7.72 H new ATOM 0 HG11 VAL C 70 27.530 2.608 -1.846 1.00 9.14 H new ATOM 0 HG12 VAL C 70 28.535 3.313 -3.135 1.00 9.14 H new ATOM 0 HG13 VAL C 70 28.804 1.632 -2.615 1.00 9.14 H new ATOM 0 HG21 VAL C 70 28.472 2.188 0.380 1.00 5.59 H new ATOM 0 HG22 VAL C 70 29.799 1.211 -0.292 1.00 5.59 H new ATOM 0 HG23 VAL C 70 30.161 2.610 0.747 1.00 5.59 H new ATOM 1363 N PHE C 71 30.926 5.214 -3.120 1.00 8.84 N ATOM 1364 CA PHE C 71 30.925 6.012 -4.341 1.00 9.50 C ATOM 1365 C PHE C 71 32.048 5.564 -5.273 1.00 9.79 C ATOM 1366 O PHE C 71 31.802 5.163 -6.410 1.00 9.67 O ATOM 1367 CB PHE C 71 31.079 7.499 -4.009 1.00 10.45 C ATOM 1368 CG PHE C 71 31.286 8.365 -5.219 1.00 11.73 C ATOM 1369 CD1 PHE C 71 30.324 8.409 -6.237 1.00 12.06 C ATOM 1370 CD2 PHE C 71 32.448 9.138 -5.352 1.00 13.07 C ATOM 1371 CE1 PHE C 71 30.516 9.209 -7.367 1.00 13.46 C ATOM 1372 CE2 PHE C 71 32.646 9.941 -6.479 1.00 14.66 C ATOM 1373 CZ PHE C 71 31.678 9.975 -7.488 1.00 14.75 C ATOM 0 H PHE C 71 30.899 5.759 -2.258 1.00 8.84 H new ATOM 0 HA PHE C 71 29.971 5.863 -4.847 1.00 9.50 H new ATOM 0 HB2 PHE C 71 30.190 7.838 -3.477 1.00 10.45 H new ATOM 0 HB3 PHE C 71 31.924 7.626 -3.332 1.00 10.45 H new ATOM 0 HD1 PHE C 71 29.424 7.818 -6.147 1.00 12.06 H new ATOM 0 HD2 PHE C 71 33.198 9.113 -4.575 1.00 13.07 H new ATOM 0 HE1 PHE C 71 29.767 9.235 -8.145 1.00 13.46 H new ATOM 0 HE2 PHE C 71 33.544 10.534 -6.570 1.00 14.66 H new ATOM 0 HZ PHE C 71 31.829 10.593 -8.361 1.00 14.75 H new ATOM 1383 N ASP C 72 33.280 5.629 -4.779 1.00 10.25 N ATOM 1384 CA ASP C 72 34.438 5.221 -5.564 1.00 10.60 C ATOM 1385 C ASP C 72 34.257 3.795 -6.070 1.00 10.13 C ATOM 1386 O ASP C 72 34.505 3.503 -7.240 1.00 11.13 O ATOM 1387 CB ASP C 72 35.712 5.321 -4.724 1.00 11.05 C ATOM 1388 CG ASP C 72 36.841 6.010 -5.464 1.00 12.05 C ATOM 1389 OD1 ASP C 72 36.747 6.146 -6.701 1.00 12.51 O ATOM 1390 OD2 ASP C 72 37.822 6.415 -4.804 1.00 12.55 O ATOM 0 H ASP C 72 33.501 5.960 -3.840 1.00 10.25 H new ATOM 0 HA ASP C 72 34.529 5.890 -6.420 1.00 10.60 H new ATOM 0 HB2 ASP C 72 35.496 5.868 -3.806 1.00 11.05 H new ATOM 0 HB3 ASP C 72 36.030 4.320 -4.432 1.00 11.05 H new ATOM 1395 N THR C 73 33.817 2.911 -5.179 1.00 8.93 N ATOM 1396 CA THR C 73 33.594 1.517 -5.534 1.00 8.40 C ATOM 1397 C THR C 73 32.536 1.408 -6.628 1.00 9.57 C ATOM 1398 O THR C 73 32.841 1.048 -7.766 1.00 10.63 O ATOM 1399 CB THR C 73 33.163 0.719 -4.296 1.00 6.19 C ATOM 1400 OG1 THR C 73 34.246 0.573 -3.395 1.00 4.95 O ATOM 1401 CG2 THR C 73 32.641 -0.670 -4.613 1.00 5.21 C ATOM 0 H THR C 73 33.608 3.137 -4.207 1.00 8.93 H new ATOM 0 HA THR C 73 34.527 1.101 -5.913 1.00 8.40 H new ATOM 0 HB THR C 73 32.350 1.297 -3.856 1.00 6.19 H new ATOM 0 HG1 THR C 73 34.213 -0.317 -2.986 1.00 4.95 H new ATOM 0 HG21 THR C 73 32.357 -1.172 -3.688 1.00 5.21 H new ATOM 0 HG22 THR C 73 31.771 -0.592 -5.266 1.00 5.21 H new ATOM 0 HG23 THR C 73 33.420 -1.246 -5.113 1.00 5.21 H new ATOM 1409 N LEU C 74 31.293 1.722 -6.276 1.00 9.71 N ATOM 1410 CA LEU C 74 30.195 1.659 -7.232 1.00 11.33 C ATOM 1411 C LEU C 74 30.524 2.443 -8.497 1.00 11.76 C ATOM 1412 O LEU C 74 30.203 2.015 -9.606 1.00 12.44 O ATOM 1413 CB LEU C 74 28.907 2.191 -6.600 1.00 11.66 C ATOM 1414 CG LEU C 74 28.304 1.297 -5.511 1.00 10.76 C ATOM 1415 CD1 LEU C 74 26.863 1.694 -5.235 1.00 13.17 C ATOM 1416 CD2 LEU C 74 28.386 -0.170 -5.915 1.00 9.19 C ATOM 0 H LEU C 74 31.022 2.021 -5.339 1.00 9.71 H new ATOM 0 HA LEU C 74 30.048 0.615 -7.508 1.00 11.33 H new ATOM 0 HB2 LEU C 74 29.108 3.173 -6.173 1.00 11.66 H new ATOM 0 HB3 LEU C 74 28.165 2.331 -7.386 1.00 11.66 H new ATOM 0 HG LEU C 74 28.881 1.433 -4.596 1.00 10.76 H new ATOM 0 HD11 LEU C 74 26.450 1.049 -4.459 1.00 13.17 H new ATOM 0 HD12 LEU C 74 26.829 2.731 -4.901 1.00 13.17 H new ATOM 0 HD13 LEU C 74 26.275 1.587 -6.147 1.00 13.17 H new ATOM 0 HD21 LEU C 74 27.953 -0.789 -5.129 1.00 9.19 H new ATOM 0 HD22 LEU C 74 27.835 -0.323 -6.843 1.00 9.19 H new ATOM 0 HD23 LEU C 74 29.429 -0.449 -6.063 1.00 9.19 H new ATOM 1428 N LYS C 75 31.177 3.586 -8.325 1.00 11.49 N ATOM 1429 CA LYS C 75 31.560 4.420 -9.457 1.00 11.98 C ATOM 1430 C LYS C 75 32.365 3.607 -10.460 1.00 13.20 C ATOM 1431 O LYS C 75 31.903 3.325 -11.565 1.00 14.65 O ATOM 1432 CB LYS C 75 32.386 5.617 -8.981 1.00 10.00 C ATOM 1433 CG LYS C 75 32.937 6.465 -10.115 1.00 10.71 C ATOM 1434 CD LYS C 75 33.087 7.920 -9.705 1.00 9.56 C ATOM 1435 CE LYS C 75 34.466 8.455 -10.053 1.00 8.31 C ATOM 1436 NZ LYS C 75 34.569 9.922 -9.826 1.00 8.00 N ATOM 0 H LYS C 75 31.452 3.956 -7.415 1.00 11.49 H new ATOM 0 HA LYS C 75 30.653 4.785 -9.939 1.00 11.98 H new ATOM 0 HB2 LYS C 75 31.767 6.243 -8.338 1.00 10.00 H new ATOM 0 HB3 LYS C 75 33.215 5.257 -8.372 1.00 10.00 H new ATOM 0 HG2 LYS C 75 33.905 6.073 -10.426 1.00 10.71 H new ATOM 0 HG3 LYS C 75 32.273 6.396 -10.977 1.00 10.71 H new ATOM 0 HD2 LYS C 75 32.326 8.520 -10.203 1.00 9.56 H new ATOM 0 HD3 LYS C 75 32.918 8.017 -8.633 1.00 9.56 H new ATOM 0 HE2 LYS C 75 35.216 7.942 -9.452 1.00 8.31 H new ATOM 0 HE3 LYS C 75 34.688 8.233 -11.097 1.00 8.31 H new ATOM 0 HZ1 LYS C 75 35.525 10.246 -10.076 1.00 8.00 H new ATOM 0 HZ2 LYS C 75 33.871 10.415 -10.419 1.00 8.00 H new ATOM 0 HZ3 LYS C 75 34.383 10.132 -8.825 1.00 8.00 H new ATOM 1450 N ASP C 76 33.571 3.231 -10.057 1.00 12.94 N ATOM 1451 CA ASP C 76 34.452 2.443 -10.909 1.00 14.46 C ATOM 1452 C ASP C 76 33.833 1.083 -11.223 1.00 16.03 C ATOM 1453 O ASP C 76 34.090 0.504 -12.280 1.00 17.87 O ATOM 1454 CB ASP C 76 35.811 2.253 -10.233 1.00 13.82 C ATOM 1455 CG ASP C 76 36.887 3.131 -10.842 1.00 14.59 C ATOM 1456 OD1 ASP C 76 36.536 4.098 -11.548 1.00 16.78 O ATOM 1457 OD2 ASP C 76 38.083 2.850 -10.611 1.00 13.31 O ATOM 0 H ASP C 76 33.963 3.459 -9.143 1.00 12.94 H new ATOM 0 HA ASP C 76 34.591 2.984 -11.845 1.00 14.46 H new ATOM 0 HB2 ASP C 76 35.720 2.479 -9.170 1.00 13.82 H new ATOM 0 HB3 ASP C 76 36.110 1.208 -10.312 1.00 13.82 H new ATOM 1462 N LEU C 77 33.017 0.577 -10.302 1.00 15.48 N ATOM 1463 CA LEU C 77 32.364 -0.712 -10.486 1.00 17.02 C ATOM 1464 C LEU C 77 31.387 -0.657 -11.657 1.00 19.54 C ATOM 1465 O LEU C 77 31.544 -1.382 -12.640 1.00 21.27 O ATOM 1466 CB LEU C 77 31.645 -1.120 -9.192 1.00 16.06 C ATOM 1467 CG LEU C 77 30.525 -2.157 -9.341 1.00 16.31 C ATOM 1468 CD1 LEU C 77 30.905 -3.227 -10.354 1.00 15.80 C ATOM 1469 CD2 LEU C 77 30.206 -2.788 -7.994 1.00 17.15 C ATOM 0 H LEU C 77 32.793 1.041 -9.422 1.00 15.48 H new ATOM 0 HA LEU C 77 33.120 -1.462 -10.717 1.00 17.02 H new ATOM 0 HB2 LEU C 77 32.387 -1.513 -8.497 1.00 16.06 H new ATOM 0 HB3 LEU C 77 31.224 -0.224 -8.736 1.00 16.06 H new ATOM 0 HG LEU C 77 29.634 -1.646 -9.707 1.00 16.31 H new ATOM 0 HD11 LEU C 77 30.094 -3.950 -10.441 1.00 15.80 H new ATOM 0 HD12 LEU C 77 31.083 -2.763 -11.324 1.00 15.80 H new ATOM 0 HD13 LEU C 77 31.811 -3.736 -10.024 1.00 15.80 H new ATOM 0 HD21 LEU C 77 29.409 -3.522 -8.116 1.00 17.15 H new ATOM 0 HD22 LEU C 77 31.096 -3.280 -7.603 1.00 17.15 H new ATOM 0 HD23 LEU C 77 29.883 -2.014 -7.297 1.00 17.15 H new ATOM 1481 N TYR C 78 30.386 0.209 -11.551 1.00 19.81 N ATOM 1482 CA TYR C 78 29.394 0.356 -12.609 1.00 22.22 C ATOM 1483 C TYR C 78 30.069 0.695 -13.933 1.00 22.98 C ATOM 1484 O TYR C 78 29.544 0.397 -15.006 1.00 23.59 O ATOM 1485 CB TYR C 78 28.380 1.442 -12.243 1.00 23.90 C ATOM 1486 CG TYR C 78 27.533 1.099 -11.039 1.00 24.22 C ATOM 1487 CD1 TYR C 78 27.140 -0.227 -10.786 1.00 25.00 C ATOM 1488 CD2 TYR C 78 27.118 2.098 -10.141 1.00 24.00 C ATOM 1489 CE1 TYR C 78 26.355 -0.547 -9.676 1.00 25.55 C ATOM 1490 CE2 TYR C 78 26.334 1.786 -9.027 1.00 24.58 C ATOM 1491 CZ TYR C 78 25.955 0.462 -8.800 1.00 25.34 C ATOM 1492 OH TYR C 78 25.183 0.150 -7.704 1.00 26.14 O ATOM 0 H TYR C 78 30.240 0.818 -10.746 1.00 19.81 H new ATOM 0 HA TYR C 78 28.868 -0.593 -12.719 1.00 22.22 H new ATOM 0 HB2 TYR C 78 28.912 2.373 -12.049 1.00 23.90 H new ATOM 0 HB3 TYR C 78 27.727 1.620 -13.097 1.00 23.90 H new ATOM 0 HD1 TYR C 78 27.450 -1.011 -11.461 1.00 25.00 H new ATOM 0 HD2 TYR C 78 27.410 3.123 -10.315 1.00 24.00 H new ATOM 0 HE1 TYR C 78 26.059 -1.570 -9.497 1.00 25.55 H new ATOM 0 HE2 TYR C 78 26.023 2.565 -8.346 1.00 24.58 H new ATOM 0 HH TYR C 78 24.322 -0.210 -8.002 1.00 26.14 H new ATOM 1502 N LYS C 79 31.241 1.318 -13.849 1.00 23.03 N ATOM 1503 CA LYS C 79 31.994 1.694 -15.038 1.00 23.83 C ATOM 1504 C LYS C 79 32.485 0.455 -15.779 1.00 23.94 C ATOM 1505 O LYS C 79 32.662 0.477 -16.997 1.00 23.62 O ATOM 1506 CB LYS C 79 33.181 2.579 -14.653 1.00 22.11 C ATOM 1507 CG LYS C 79 33.090 3.993 -15.203 1.00 23.71 C ATOM 1508 CD LYS C 79 33.852 4.980 -14.335 1.00 23.74 C ATOM 1509 CE LYS C 79 34.179 6.255 -15.097 1.00 23.98 C ATOM 1510 NZ LYS C 79 35.030 5.986 -16.290 1.00 24.65 N ATOM 0 H LYS C 79 31.689 1.573 -12.969 1.00 23.03 H new ATOM 0 HA LYS C 79 31.333 2.254 -15.700 1.00 23.83 H new ATOM 0 HB2 LYS C 79 33.252 2.625 -13.566 1.00 22.11 H new ATOM 0 HB3 LYS C 79 34.100 2.117 -15.013 1.00 22.11 H new ATOM 0 HG2 LYS C 79 33.489 4.016 -16.217 1.00 23.71 H new ATOM 0 HG3 LYS C 79 32.044 4.294 -15.265 1.00 23.71 H new ATOM 0 HD2 LYS C 79 33.260 5.224 -13.453 1.00 23.74 H new ATOM 0 HD3 LYS C 79 34.774 4.519 -13.982 1.00 23.74 H new ATOM 0 HE2 LYS C 79 33.254 6.737 -15.412 1.00 23.98 H new ATOM 0 HE3 LYS C 79 34.692 6.952 -14.435 1.00 23.98 H new ATOM 0 HZ1 LYS C 79 35.558 6.846 -16.541 1.00 24.65 H new ATOM 0 HZ2 LYS C 79 35.699 5.220 -16.073 1.00 24.65 H new ATOM 0 HZ3 LYS C 79 34.428 5.704 -17.089 1.00 24.65 H new ATOM 1524 N LYS C 80 32.702 -0.626 -15.035 1.00 24.54 N ATOM 1525 CA LYS C 80 33.170 -1.876 -15.623 1.00 25.03 C ATOM 1526 C LYS C 80 32.166 -2.409 -16.639 1.00 27.84 C ATOM 1527 O LYS C 80 32.544 -2.873 -17.715 1.00 28.62 O ATOM 1528 CB LYS C 80 33.412 -2.919 -14.532 1.00 24.60 C ATOM 1529 CG LYS C 80 34.187 -4.134 -15.013 1.00 24.54 C ATOM 1530 CD LYS C 80 33.270 -5.321 -15.255 1.00 26.79 C ATOM 1531 CE LYS C 80 34.034 -6.515 -15.802 1.00 28.05 C ATOM 1532 NZ LYS C 80 33.979 -7.682 -14.878 1.00 29.22 N ATOM 0 H LYS C 80 32.561 -0.661 -14.025 1.00 24.54 H new ATOM 0 HA LYS C 80 34.109 -1.676 -16.138 1.00 25.03 H new ATOM 0 HB2 LYS C 80 33.956 -2.453 -13.710 1.00 24.60 H new ATOM 0 HB3 LYS C 80 32.451 -3.246 -14.134 1.00 24.60 H new ATOM 0 HG2 LYS C 80 34.716 -3.888 -15.934 1.00 24.54 H new ATOM 0 HG3 LYS C 80 34.942 -4.401 -14.274 1.00 24.54 H new ATOM 0 HD2 LYS C 80 32.779 -5.599 -14.322 1.00 26.79 H new ATOM 0 HD3 LYS C 80 32.485 -5.038 -15.956 1.00 26.79 H new ATOM 0 HE2 LYS C 80 33.620 -6.798 -16.770 1.00 28.05 H new ATOM 0 HE3 LYS C 80 35.074 -6.234 -15.970 1.00 28.05 H new ATOM 0 HZ1 LYS C 80 34.512 -8.475 -15.288 1.00 29.22 H new ATOM 0 HZ2 LYS C 80 34.397 -7.420 -13.963 1.00 29.22 H new ATOM 0 HZ3 LYS C 80 32.989 -7.967 -14.737 1.00 29.22 H new ATOM 1546 N THR C 81 30.888 -2.338 -16.290 1.00 29.38 N ATOM 1547 CA THR C 81 29.825 -2.813 -17.170 1.00 32.12 C ATOM 1548 C THR C 81 29.781 -1.997 -18.456 1.00 32.86 C ATOM 1549 O THR C 81 30.230 -2.449 -19.509 1.00 32.18 O ATOM 1550 CB THR C 81 28.473 -2.736 -16.459 1.00 33.21 C ATOM 1551 OG1 THR C 81 28.189 -1.407 -16.064 1.00 32.04 O ATOM 1552 CG2 THR C 81 28.394 -3.609 -15.225 1.00 33.51 C ATOM 0 H THR C 81 30.561 -1.956 -15.403 1.00 29.38 H new ATOM 0 HA THR C 81 30.035 -3.852 -17.425 1.00 32.12 H new ATOM 0 HB THR C 81 27.745 -3.096 -17.186 1.00 33.21 H new ATOM 0 HG1 THR C 81 28.784 -1.150 -15.329 1.00 32.04 H new ATOM 0 HG21 THR C 81 27.409 -3.507 -14.770 1.00 33.51 H new ATOM 0 HG22 THR C 81 28.558 -4.650 -15.504 1.00 33.51 H new ATOM 0 HG23 THR C 81 29.158 -3.300 -14.511 1.00 33.51 H new ATOM 1616 N ASP D 54 25.803 6.615 -16.941 1.00 32.65 N ATOM 1617 CA ASP D 54 24.897 6.060 -15.944 1.00 30.89 C ATOM 1618 C ASP D 54 25.667 5.524 -14.742 1.00 29.74 C ATOM 1619 O ASP D 54 25.212 5.630 -13.603 1.00 29.23 O ATOM 1620 CB ASP D 54 24.048 4.945 -16.557 1.00 31.49 C ATOM 1621 CG ASP D 54 22.925 5.484 -17.422 1.00 31.35 C ATOM 1622 OD1 ASP D 54 23.181 6.411 -18.218 1.00 32.86 O ATOM 1623 OD2 ASP D 54 21.789 4.978 -17.302 1.00 29.95 O ATOM 0 HA ASP D 54 24.242 6.862 -15.604 1.00 30.89 H new ATOM 0 HB2 ASP D 54 24.685 4.295 -17.157 1.00 31.49 H new ATOM 0 HB3 ASP D 54 23.627 4.332 -15.760 1.00 31.49 H new ATOM 1628 N ALA D 55 26.837 4.950 -15.002 1.00 29.49 N ATOM 1629 CA ALA D 55 27.668 4.399 -13.940 1.00 28.52 C ATOM 1630 C ALA D 55 27.891 5.426 -12.836 1.00 27.50 C ATOM 1631 O ALA D 55 27.845 5.099 -11.651 1.00 26.36 O ATOM 1632 CB ALA D 55 29.001 3.927 -14.501 1.00 29.24 C ATOM 0 H ALA D 55 27.230 4.855 -15.938 1.00 29.49 H new ATOM 0 HA ALA D 55 27.147 3.544 -13.509 1.00 28.52 H new ATOM 0 HB1 ALA D 55 29.611 3.518 -13.695 1.00 29.24 H new ATOM 0 HB2 ALA D 55 28.827 3.156 -15.252 1.00 29.24 H new ATOM 0 HB3 ALA D 55 29.522 4.768 -14.959 1.00 29.24 H new ATOM 1638 N GLU D 56 28.127 6.671 -13.236 1.00 28.00 N ATOM 1639 CA GLU D 56 28.353 7.749 -12.281 1.00 27.19 C ATOM 1640 C GLU D 56 27.067 8.090 -11.537 1.00 26.53 C ATOM 1641 O GLU D 56 27.045 8.150 -10.308 1.00 27.20 O ATOM 1642 CB GLU D 56 28.889 8.991 -12.997 1.00 28.09 C ATOM 1643 CG GLU D 56 29.327 10.096 -12.051 1.00 29.64 C ATOM 1644 CD GLU D 56 29.373 11.455 -12.723 1.00 30.79 C ATOM 1645 OE1 GLU D 56 28.293 12.018 -12.996 1.00 29.47 O ATOM 1646 OE2 GLU D 56 30.489 11.954 -12.975 1.00 33.11 O ATOM 0 H GLU D 56 28.167 6.958 -14.214 1.00 28.00 H new ATOM 0 HA GLU D 56 29.094 7.411 -11.556 1.00 27.19 H new ATOM 0 HB2 GLU D 56 29.734 8.703 -13.622 1.00 28.09 H new ATOM 0 HB3 GLU D 56 28.117 9.378 -13.662 1.00 28.09 H new ATOM 0 HG2 GLU D 56 28.642 10.137 -11.204 1.00 29.64 H new ATOM 0 HG3 GLU D 56 30.313 9.858 -11.652 1.00 29.64 H new ATOM 1653 N ARG D 57 25.994 8.309 -12.291 1.00 25.45 N ATOM 1654 CA ARG D 57 24.702 8.639 -11.701 1.00 25.04 C ATOM 1655 C ARG D 57 24.244 7.535 -10.755 1.00 23.46 C ATOM 1656 O ARG D 57 23.678 7.807 -9.696 1.00 23.50 O ATOM 1657 CB ARG D 57 23.658 8.859 -12.796 1.00 24.83 C ATOM 1658 CG ARG D 57 24.160 9.704 -13.955 1.00 25.08 C ATOM 1659 CD ARG D 57 23.131 10.740 -14.376 1.00 25.37 C ATOM 1660 NE ARG D 57 23.326 11.176 -15.756 1.00 26.31 N ATOM 1661 CZ ARG D 57 22.647 12.170 -16.317 1.00 25.83 C ATOM 1662 NH1 ARG D 57 21.734 12.829 -15.617 1.00 24.52 N ATOM 1663 NH2 ARG D 57 22.880 12.507 -17.578 1.00 26.78 N ATOM 0 H ARG D 57 25.994 8.264 -13.310 1.00 25.45 H new ATOM 0 HA ARG D 57 24.813 9.561 -11.130 1.00 25.04 H new ATOM 0 HB2 ARG D 57 23.334 7.891 -13.177 1.00 24.83 H new ATOM 0 HB3 ARG D 57 22.782 9.339 -12.360 1.00 24.83 H new ATOM 0 HG2 ARG D 57 25.085 10.204 -13.668 1.00 25.08 H new ATOM 0 HG3 ARG D 57 24.396 9.059 -14.801 1.00 25.08 H new ATOM 0 HD2 ARG D 57 22.130 10.322 -14.266 1.00 25.37 H new ATOM 0 HD3 ARG D 57 23.192 11.602 -13.712 1.00 25.37 H new ATOM 0 HE ARG D 57 24.023 10.690 -16.321 1.00 26.31 H new ATOM 0 HH11 ARG D 57 21.552 12.573 -14.647 1.00 24.52 H new ATOM 0 HH12 ARG D 57 21.213 13.592 -16.049 1.00 24.52 H new ATOM 0 HH21 ARG D 57 23.582 12.002 -18.119 1.00 26.78 H new ATOM 0 HH22 ARG D 57 22.357 13.271 -18.007 1.00 26.78 H new ATOM 1677 N LEU D 58 24.498 6.290 -11.144 1.00 22.18 N ATOM 1678 CA LEU D 58 24.118 5.142 -10.330 1.00 20.85 C ATOM 1679 C LEU D 58 24.866 5.151 -9.003 1.00 19.12 C ATOM 1680 O LEU D 58 24.260 5.204 -7.933 1.00 17.13 O ATOM 1681 CB LEU D 58 24.407 3.839 -11.080 1.00 21.59 C ATOM 1682 CG LEU D 58 23.428 3.512 -12.209 1.00 21.27 C ATOM 1683 CD1 LEU D 58 23.945 2.350 -13.042 1.00 20.50 C ATOM 1684 CD2 LEU D 58 22.051 3.196 -11.646 1.00 21.00 C ATOM 0 H LEU D 58 24.966 6.051 -12.018 1.00 22.18 H new ATOM 0 HA LEU D 58 23.049 5.208 -10.129 1.00 20.85 H new ATOM 0 HB2 LEU D 58 25.413 3.892 -11.496 1.00 21.59 H new ATOM 0 HB3 LEU D 58 24.401 3.017 -10.365 1.00 21.59 H new ATOM 0 HG LEU D 58 23.342 4.386 -12.855 1.00 21.27 H new ATOM 0 HD11 LEU D 58 23.236 2.131 -13.840 1.00 20.50 H new ATOM 0 HD12 LEU D 58 24.910 2.614 -13.475 1.00 20.50 H new ATOM 0 HD13 LEU D 58 24.060 1.471 -12.408 1.00 20.50 H new ATOM 0 HD21 LEU D 58 21.368 2.966 -12.463 1.00 21.00 H new ATOM 0 HD22 LEU D 58 22.119 2.338 -10.978 1.00 21.00 H new ATOM 0 HD23 LEU D 58 21.678 4.058 -11.093 1.00 21.00 H new ATOM 1696 N ALA D 59 26.190 5.099 -9.087 1.00 20.04 N ATOM 1697 CA ALA D 59 27.038 5.104 -7.901 1.00 18.72 C ATOM 1698 C ALA D 59 26.627 6.209 -6.935 1.00 17.80 C ATOM 1699 O ALA D 59 26.821 6.095 -5.725 1.00 18.13 O ATOM 1700 CB ALA D 59 28.496 5.269 -8.302 1.00 18.98 C ATOM 0 H ALA D 59 26.701 5.053 -9.968 1.00 20.04 H new ATOM 0 HA ALA D 59 26.915 4.149 -7.391 1.00 18.72 H new ATOM 0 HB1 ALA D 59 29.121 5.271 -7.409 1.00 18.98 H new ATOM 0 HB2 ALA D 59 28.791 4.443 -8.949 1.00 18.98 H new ATOM 0 HB3 ALA D 59 28.622 6.211 -8.836 1.00 18.98 H new ATOM 1706 N ASP D 60 26.057 7.279 -7.479 1.00 16.86 N ATOM 1707 CA ASP D 60 25.619 8.404 -6.664 1.00 15.97 C ATOM 1708 C ASP D 60 24.353 8.053 -5.892 1.00 13.02 C ATOM 1709 O ASP D 60 24.349 8.043 -4.661 1.00 12.18 O ATOM 1710 CB ASP D 60 25.373 9.633 -7.541 1.00 16.74 C ATOM 1711 CG ASP D 60 25.066 10.872 -6.725 1.00 17.75 C ATOM 1712 OD1 ASP D 60 25.095 10.784 -5.478 1.00 18.12 O ATOM 1713 OD2 ASP D 60 24.798 11.931 -7.330 1.00 18.39 O ATOM 0 H ASP D 60 25.888 7.390 -8.479 1.00 16.86 H new ATOM 0 HA ASP D 60 26.409 8.632 -5.948 1.00 15.97 H new ATOM 0 HB2 ASP D 60 26.252 9.817 -8.159 1.00 16.74 H new ATOM 0 HB3 ASP D 60 24.543 9.432 -8.218 1.00 16.74 H new ATOM 1718 N GLU D 61 23.280 7.758 -6.618 1.00 11.78 N ATOM 1719 CA GLU D 61 22.016 7.402 -5.989 1.00 8.95 C ATOM 1720 C GLU D 61 22.195 6.196 -5.074 1.00 8.32 C ATOM 1721 O GLU D 61 21.647 6.153 -3.973 1.00 7.27 O ATOM 1722 CB GLU D 61 20.955 7.104 -7.050 1.00 8.24 C ATOM 1723 CG GLU D 61 21.408 6.111 -8.107 1.00 10.39 C ATOM 1724 CD GLU D 61 20.266 5.625 -8.977 1.00 11.09 C ATOM 1725 OE1 GLU D 61 19.096 5.820 -8.585 1.00 11.59 O ATOM 1726 OE2 GLU D 61 20.541 5.048 -10.051 1.00 11.66 O ATOM 0 H GLU D 61 23.261 7.759 -7.638 1.00 11.78 H new ATOM 0 HA GLU D 61 21.683 8.249 -5.389 1.00 8.95 H new ATOM 0 HB2 GLU D 61 20.062 6.716 -6.559 1.00 8.24 H new ATOM 0 HB3 GLU D 61 20.671 8.036 -7.538 1.00 8.24 H new ATOM 0 HG2 GLU D 61 22.167 6.576 -8.736 1.00 10.39 H new ATOM 0 HG3 GLU D 61 21.878 5.257 -7.620 1.00 10.39 H new ATOM 1733 N GLN D 62 22.969 5.219 -5.536 1.00 9.45 N ATOM 1734 CA GLN D 62 23.227 4.013 -4.761 1.00 9.11 C ATOM 1735 C GLN D 62 24.060 4.328 -3.522 1.00 10.36 C ATOM 1736 O GLN D 62 23.820 3.782 -2.446 1.00 10.67 O ATOM 1737 CB GLN D 62 23.948 2.978 -5.627 1.00 8.35 C ATOM 1738 CG GLN D 62 23.013 2.097 -6.445 1.00 7.27 C ATOM 1739 CD GLN D 62 21.858 2.864 -7.065 1.00 5.16 C ATOM 1740 OE1 GLN D 62 21.151 3.606 -6.383 1.00 4.59 O ATOM 1741 NE2 GLN D 62 21.659 2.680 -8.365 1.00 5.21 N ATOM 0 H GLN D 62 23.429 5.240 -6.446 1.00 9.45 H new ATOM 0 HA GLN D 62 22.270 3.605 -4.435 1.00 9.11 H new ATOM 0 HB2 GLN D 62 24.628 3.496 -6.304 1.00 8.35 H new ATOM 0 HB3 GLN D 62 24.559 2.344 -4.985 1.00 8.35 H new ATOM 0 HG2 GLN D 62 23.583 1.609 -7.236 1.00 7.27 H new ATOM 0 HG3 GLN D 62 22.616 1.308 -5.806 1.00 7.27 H new ATOM 0 HE21 GLN D 62 22.270 2.055 -8.891 1.00 5.21 H new ATOM 0 HE22 GLN D 62 20.895 3.163 -8.837 1.00 5.21 H new ATOM 1750 N SER D 63 25.039 5.216 -3.679 1.00 11.30 N ATOM 1751 CA SER D 63 25.901 5.602 -2.567 1.00 12.60 C ATOM 1752 C SER D 63 25.135 6.449 -1.559 1.00 11.87 C ATOM 1753 O SER D 63 25.054 6.107 -0.380 1.00 10.68 O ATOM 1754 CB SER D 63 27.120 6.372 -3.078 1.00 15.61 C ATOM 1755 OG SER D 63 26.729 7.542 -3.774 1.00 16.51 O ATOM 0 H SER D 63 25.254 5.680 -4.562 1.00 11.30 H new ATOM 0 HA SER D 63 26.240 4.693 -2.070 1.00 12.60 H new ATOM 0 HB2 SER D 63 27.762 6.641 -2.239 1.00 15.61 H new ATOM 0 HB3 SER D 63 27.708 5.733 -3.737 1.00 15.61 H new ATOM 0 HG SER D 63 26.086 7.306 -4.475 1.00 16.51 H new ATOM 1761 N GLU D 64 24.568 7.555 -2.031 1.00 13.04 N ATOM 1762 CA GLU D 64 23.805 8.448 -1.173 1.00 13.51 C ATOM 1763 C GLU D 64 22.758 7.671 -0.379 1.00 11.18 C ATOM 1764 O GLU D 64 22.477 7.991 0.775 1.00 11.35 O ATOM 1765 CB GLU D 64 23.133 9.536 -2.013 1.00 15.28 C ATOM 1766 CG GLU D 64 21.943 9.040 -2.818 1.00 14.18 C ATOM 1767 CD GLU D 64 21.239 10.156 -3.564 1.00 16.11 C ATOM 1768 OE1 GLU D 64 21.827 11.250 -3.691 1.00 17.09 O ATOM 1769 OE2 GLU D 64 20.097 9.936 -4.022 1.00 16.75 O ATOM 0 H GLU D 64 24.624 7.853 -3.005 1.00 13.04 H new ATOM 0 HA GLU D 64 24.490 8.918 -0.467 1.00 13.51 H new ATOM 0 HB2 GLU D 64 22.805 10.340 -1.354 1.00 15.28 H new ATOM 0 HB3 GLU D 64 23.869 9.963 -2.695 1.00 15.28 H new ATOM 0 HG2 GLU D 64 22.279 8.287 -3.531 1.00 14.18 H new ATOM 0 HG3 GLU D 64 21.234 8.552 -2.149 1.00 14.18 H new ATOM 1776 N LEU D 65 22.190 6.645 -1.006 1.00 9.64 N ATOM 1777 CA LEU D 65 21.181 5.818 -0.357 1.00 7.75 C ATOM 1778 C LEU D 65 21.760 5.127 0.870 1.00 6.13 C ATOM 1779 O LEU D 65 21.125 5.074 1.924 1.00 5.34 O ATOM 1780 CB LEU D 65 20.635 4.775 -1.334 1.00 8.19 C ATOM 1781 CG LEU D 65 19.244 4.238 -0.997 1.00 9.05 C ATOM 1782 CD1 LEU D 65 18.522 3.794 -2.260 1.00 9.59 C ATOM 1783 CD2 LEU D 65 19.342 3.089 -0.004 1.00 7.91 C ATOM 0 H LEU D 65 22.412 6.368 -1.962 1.00 9.64 H new ATOM 0 HA LEU D 65 20.364 6.466 -0.040 1.00 7.75 H new ATOM 0 HB2 LEU D 65 20.607 5.214 -2.331 1.00 8.19 H new ATOM 0 HB3 LEU D 65 21.331 3.937 -1.374 1.00 8.19 H new ATOM 0 HG LEU D 65 18.667 5.041 -0.537 1.00 9.05 H new ATOM 0 HD11 LEU D 65 17.534 3.415 -2.000 1.00 9.59 H new ATOM 0 HD12 LEU D 65 18.419 4.642 -2.937 1.00 9.59 H new ATOM 0 HD13 LEU D 65 19.095 3.007 -2.749 1.00 9.59 H new ATOM 0 HD21 LEU D 65 18.342 2.719 0.224 1.00 7.91 H new ATOM 0 HD22 LEU D 65 19.937 2.284 -0.436 1.00 7.91 H new ATOM 0 HD23 LEU D 65 19.817 3.439 0.912 1.00 7.91 H new ATOM 1795 N VAL D 66 22.973 4.598 0.730 1.00 6.31 N ATOM 1796 CA VAL D 66 23.636 3.911 1.830 1.00 6.31 C ATOM 1797 C VAL D 66 23.778 4.826 3.040 1.00 6.58 C ATOM 1798 O VAL D 66 23.556 4.410 4.177 1.00 6.72 O ATOM 1799 CB VAL D 66 25.030 3.404 1.419 1.00 7.24 C ATOM 1800 CG1 VAL D 66 25.578 2.443 2.463 1.00 8.10 C ATOM 1801 CG2 VAL D 66 24.973 2.742 0.050 1.00 7.37 C ATOM 0 H VAL D 66 23.514 4.633 -0.134 1.00 6.31 H new ATOM 0 HA VAL D 66 23.011 3.057 2.092 1.00 6.31 H new ATOM 0 HB VAL D 66 25.705 4.258 1.357 1.00 7.24 H new ATOM 0 HG11 VAL D 66 26.564 2.095 2.155 1.00 8.10 H new ATOM 0 HG12 VAL D 66 25.657 2.954 3.422 1.00 8.10 H new ATOM 0 HG13 VAL D 66 24.906 1.590 2.560 1.00 8.10 H new ATOM 0 HG21 VAL D 66 25.967 2.389 -0.225 1.00 7.37 H new ATOM 0 HG22 VAL D 66 24.284 1.898 0.083 1.00 7.37 H new ATOM 0 HG23 VAL D 66 24.627 3.464 -0.689 1.00 7.37 H new ATOM 1811 N LYS D 67 24.146 6.076 2.786 1.00 7.14 N ATOM 1812 CA LYS D 67 24.317 7.056 3.852 1.00 7.54 C ATOM 1813 C LYS D 67 23.054 7.158 4.701 1.00 7.04 C ATOM 1814 O LYS D 67 23.091 6.948 5.913 1.00 7.00 O ATOM 1815 CB LYS D 67 24.663 8.425 3.263 1.00 7.99 C ATOM 1816 CG LYS D 67 25.257 9.392 4.275 1.00 10.72 C ATOM 1817 CD LYS D 67 25.275 10.815 3.739 1.00 10.98 C ATOM 1818 CE LYS D 67 25.110 11.834 4.855 1.00 12.67 C ATOM 1819 NZ LYS D 67 26.421 12.357 5.329 1.00 12.39 N ATOM 0 H LYS D 67 24.332 6.435 1.850 1.00 7.14 H new ATOM 0 HA LYS D 67 25.137 6.726 4.490 1.00 7.54 H new ATOM 0 HB2 LYS D 67 25.369 8.290 2.444 1.00 7.99 H new ATOM 0 HB3 LYS D 67 23.762 8.866 2.837 1.00 7.99 H new ATOM 0 HG2 LYS D 67 24.678 9.357 5.198 1.00 10.72 H new ATOM 0 HG3 LYS D 67 26.272 9.082 4.524 1.00 10.72 H new ATOM 0 HD2 LYS D 67 26.214 10.996 3.216 1.00 10.98 H new ATOM 0 HD3 LYS D 67 24.475 10.940 3.010 1.00 10.98 H new ATOM 0 HE2 LYS D 67 24.495 12.662 4.502 1.00 12.67 H new ATOM 0 HE3 LYS D 67 24.579 11.376 5.689 1.00 12.67 H new ATOM 0 HZ1 LYS D 67 26.308 12.768 6.278 1.00 12.39 H new ATOM 0 HZ2 LYS D 67 27.111 11.580 5.368 1.00 12.39 H new ATOM 0 HZ3 LYS D 67 26.761 13.089 4.673 1.00 12.39 H new ATOM 1833 N LYS D 68 21.939 7.482 4.056 1.00 7.43 N ATOM 1834 CA LYS D 68 20.665 7.611 4.752 1.00 7.64 C ATOM 1835 C LYS D 68 20.368 6.361 5.573 1.00 8.13 C ATOM 1836 O LYS D 68 19.836 6.444 6.681 1.00 8.66 O ATOM 1837 CB LYS D 68 19.535 7.861 3.752 1.00 7.03 C ATOM 1838 CG LYS D 68 19.125 9.321 3.649 1.00 8.01 C ATOM 1839 CD LYS D 68 19.848 10.022 2.510 1.00 8.10 C ATOM 1840 CE LYS D 68 19.009 11.147 1.927 1.00 8.26 C ATOM 1841 NZ LYS D 68 19.797 12.397 1.755 1.00 8.34 N ATOM 0 H LYS D 68 21.892 7.660 3.053 1.00 7.43 H new ATOM 0 HA LYS D 68 20.733 8.462 5.429 1.00 7.64 H new ATOM 0 HB2 LYS D 68 19.847 7.510 2.769 1.00 7.03 H new ATOM 0 HB3 LYS D 68 18.667 7.268 4.041 1.00 7.03 H new ATOM 0 HG2 LYS D 68 18.048 9.388 3.494 1.00 8.01 H new ATOM 0 HG3 LYS D 68 19.344 9.829 4.588 1.00 8.01 H new ATOM 0 HD2 LYS D 68 20.795 10.422 2.871 1.00 8.10 H new ATOM 0 HD3 LYS D 68 20.084 9.300 1.728 1.00 8.10 H new ATOM 0 HE2 LYS D 68 18.606 10.837 0.963 1.00 8.26 H new ATOM 0 HE3 LYS D 68 18.159 11.341 2.580 1.00 8.26 H new ATOM 0 HZ1 LYS D 68 19.188 13.139 1.355 1.00 8.34 H new ATOM 0 HZ2 LYS D 68 20.161 12.708 2.678 1.00 8.34 H new ATOM 0 HZ3 LYS D 68 20.594 12.219 1.111 1.00 8.34 H new ATOM 1855 N MET D 69 20.716 5.203 5.022 1.00 8.15 N ATOM 1856 CA MET D 69 20.488 3.932 5.702 1.00 8.75 C ATOM 1857 C MET D 69 21.360 3.818 6.946 1.00 9.60 C ATOM 1858 O MET D 69 20.876 3.491 8.030 1.00 11.26 O ATOM 1859 CB MET D 69 20.783 2.764 4.759 1.00 8.13 C ATOM 1860 CG MET D 69 20.320 1.419 5.293 1.00 9.46 C ATOM 1861 SD MET D 69 21.109 0.030 4.457 1.00 8.61 S ATOM 1862 CE MET D 69 22.835 0.489 4.590 1.00 6.41 C ATOM 0 H MET D 69 21.157 5.118 4.106 1.00 8.15 H new ATOM 0 HA MET D 69 19.441 3.895 6.004 1.00 8.75 H new ATOM 0 HB2 MET D 69 20.299 2.951 3.800 1.00 8.13 H new ATOM 0 HB3 MET D 69 21.856 2.721 4.572 1.00 8.13 H new ATOM 0 HG2 MET D 69 20.533 1.364 6.361 1.00 9.46 H new ATOM 0 HG3 MET D 69 19.239 1.340 5.179 1.00 9.46 H new ATOM 0 HE1 MET D 69 23.451 -0.410 4.595 1.00 6.41 H new ATOM 0 HE2 MET D 69 23.112 1.114 3.741 1.00 6.41 H new ATOM 0 HE3 MET D 69 22.994 1.043 5.515 1.00 6.41 H new ATOM 1872 N VAL D 70 22.650 4.082 6.779 1.00 8.78 N ATOM 1873 CA VAL D 70 23.595 4.002 7.884 1.00 9.41 C ATOM 1874 C VAL D 70 23.412 5.162 8.856 1.00 10.79 C ATOM 1875 O VAL D 70 23.755 5.054 10.034 1.00 10.68 O ATOM 1876 CB VAL D 70 25.049 3.987 7.372 1.00 9.44 C ATOM 1877 CG1 VAL D 70 26.027 3.923 8.535 1.00 9.24 C ATOM 1878 CG2 VAL D 70 25.264 2.819 6.421 1.00 9.12 C ATOM 0 H VAL D 70 23.065 4.354 5.888 1.00 8.78 H new ATOM 0 HA VAL D 70 23.393 3.068 8.409 1.00 9.41 H new ATOM 0 HB VAL D 70 25.233 4.912 6.826 1.00 9.44 H new ATOM 0 HG11 VAL D 70 27.047 3.913 8.152 1.00 9.24 H new ATOM 0 HG12 VAL D 70 25.888 4.794 9.176 1.00 9.24 H new ATOM 0 HG13 VAL D 70 25.847 3.016 9.112 1.00 9.24 H new ATOM 0 HG21 VAL D 70 26.295 2.822 6.068 1.00 9.12 H new ATOM 0 HG22 VAL D 70 25.062 1.883 6.942 1.00 9.12 H new ATOM 0 HG23 VAL D 70 24.589 2.914 5.570 1.00 9.12 H new ATOM 1888 N PHE D 71 22.868 6.270 8.363 1.00 12.53 N ATOM 1889 CA PHE D 71 22.641 7.440 9.203 1.00 14.02 C ATOM 1890 C PHE D 71 21.711 7.099 10.362 1.00 16.67 C ATOM 1891 O PHE D 71 22.008 7.401 11.518 1.00 17.82 O ATOM 1892 CB PHE D 71 22.053 8.589 8.382 1.00 14.42 C ATOM 1893 CG PHE D 71 21.944 9.875 9.152 1.00 13.81 C ATOM 1894 CD1 PHE D 71 22.965 10.269 10.029 1.00 12.75 C ATOM 1895 CD2 PHE D 71 20.820 10.700 9.008 1.00 14.48 C ATOM 1896 CE1 PHE D 71 22.866 11.463 10.748 1.00 12.36 C ATOM 1897 CE2 PHE D 71 20.716 11.896 9.726 1.00 13.93 C ATOM 1898 CZ PHE D 71 21.740 12.277 10.597 1.00 12.86 C ATOM 0 H PHE D 71 22.578 6.382 7.392 1.00 12.53 H new ATOM 0 HA PHE D 71 23.603 7.755 9.607 1.00 14.02 H new ATOM 0 HB2 PHE D 71 22.674 8.752 7.502 1.00 14.42 H new ATOM 0 HB3 PHE D 71 21.064 8.302 8.025 1.00 14.42 H new ATOM 0 HD1 PHE D 71 23.837 9.643 10.150 1.00 12.75 H new ATOM 0 HD2 PHE D 71 20.026 10.409 8.336 1.00 14.48 H new ATOM 0 HE1 PHE D 71 23.659 11.757 11.420 1.00 12.36 H new ATOM 0 HE2 PHE D 71 19.845 12.524 9.607 1.00 13.93 H new ATOM 0 HZ PHE D 71 21.661 13.200 11.153 1.00 12.86 H new ATOM 1908 N ASP D 72 20.588 6.463 10.045 1.00 17.90 N ATOM 1909 CA ASP D 72 19.619 6.076 11.063 1.00 20.45 C ATOM 1910 C ASP D 72 20.224 5.052 12.016 1.00 20.47 C ATOM 1911 O ASP D 72 20.087 5.166 13.235 1.00 20.50 O ATOM 1912 CB ASP D 72 18.359 5.504 10.410 1.00 21.73 C ATOM 1913 CG ASP D 72 17.094 5.919 11.136 1.00 23.07 C ATOM 1914 OD1 ASP D 72 17.174 6.212 12.348 1.00 22.80 O ATOM 1915 OD2 ASP D 72 16.024 5.951 10.492 1.00 24.57 O ATOM 0 H ASP D 72 20.327 6.205 9.093 1.00 17.90 H new ATOM 0 HA ASP D 72 19.348 6.965 11.632 1.00 20.45 H new ATOM 0 HB2 ASP D 72 18.306 5.838 9.374 1.00 21.73 H new ATOM 0 HB3 ASP D 72 18.424 4.416 10.392 1.00 21.73 H new ATOM 1920 N THR D 73 20.897 4.053 11.453 1.00 20.64 N ATOM 1921 CA THR D 73 21.529 3.011 12.253 1.00 20.87 C ATOM 1922 C THR D 73 22.415 3.621 13.334 1.00 22.49 C ATOM 1923 O THR D 73 22.309 3.270 14.510 1.00 24.08 O ATOM 1924 CB THR D 73 22.358 2.087 11.360 1.00 18.73 C ATOM 1925 OG1 THR D 73 21.527 1.390 10.449 1.00 19.46 O ATOM 1926 CG2 THR D 73 23.155 1.060 12.134 1.00 18.14 C ATOM 0 H THR D 73 21.018 3.944 10.446 1.00 20.64 H new ATOM 0 HA THR D 73 20.744 2.430 12.736 1.00 20.87 H new ATOM 0 HB THR D 73 23.054 2.742 10.837 1.00 18.73 H new ATOM 0 HG1 THR D 73 21.299 1.978 9.699 1.00 19.46 H new ATOM 0 HG21 THR D 73 23.719 0.438 11.439 1.00 18.14 H new ATOM 0 HG22 THR D 73 23.844 1.568 12.809 1.00 18.14 H new ATOM 0 HG23 THR D 73 22.476 0.433 12.713 1.00 18.14 H new ATOM 1934 N LEU D 74 23.288 4.537 12.927 1.00 22.15 N ATOM 1935 CA LEU D 74 24.193 5.199 13.860 1.00 23.73 C ATOM 1936 C LEU D 74 23.413 5.990 14.904 1.00 25.37 C ATOM 1937 O LEU D 74 23.756 5.980 16.087 1.00 27.09 O ATOM 1938 CB LEU D 74 25.148 6.127 13.106 1.00 23.57 C ATOM 1939 CG LEU D 74 26.131 5.421 12.171 1.00 22.15 C ATOM 1940 CD1 LEU D 74 26.687 6.397 11.146 1.00 22.69 C ATOM 1941 CD2 LEU D 74 27.258 4.781 12.968 1.00 21.96 C ATOM 0 H LEU D 74 23.388 4.838 11.957 1.00 22.15 H new ATOM 0 HA LEU D 74 24.774 4.431 14.372 1.00 23.73 H new ATOM 0 HB2 LEU D 74 24.558 6.834 12.522 1.00 23.57 H new ATOM 0 HB3 LEU D 74 25.715 6.709 13.833 1.00 23.57 H new ATOM 0 HG LEU D 74 25.596 4.634 11.639 1.00 22.15 H new ATOM 0 HD11 LEU D 74 27.385 5.877 10.489 1.00 22.69 H new ATOM 0 HD12 LEU D 74 25.869 6.808 10.554 1.00 22.69 H new ATOM 0 HD13 LEU D 74 27.206 7.207 11.659 1.00 22.69 H new ATOM 0 HD21 LEU D 74 27.948 4.283 12.287 1.00 21.96 H new ATOM 0 HD22 LEU D 74 27.791 5.550 13.526 1.00 21.96 H new ATOM 0 HD23 LEU D 74 26.843 4.050 13.662 1.00 21.96 H new ATOM 1953 N LYS D 75 22.361 6.674 14.463 1.00 24.97 N ATOM 1954 CA LYS D 75 21.532 7.467 15.364 1.00 26.49 C ATOM 1955 C LYS D 75 21.120 6.644 16.580 1.00 26.95 C ATOM 1956 O LYS D 75 21.086 7.147 17.702 1.00 28.03 O ATOM 1957 CB LYS D 75 20.290 7.980 14.634 1.00 26.31 C ATOM 1958 CG LYS D 75 19.670 9.212 15.278 1.00 25.95 C ATOM 1959 CD LYS D 75 19.795 10.433 14.382 1.00 24.98 C ATOM 1960 CE LYS D 75 18.730 11.468 14.703 1.00 26.95 C ATOM 1961 NZ LYS D 75 19.186 12.431 15.744 1.00 27.89 N ATOM 0 H LYS D 75 22.063 6.695 13.488 1.00 24.97 H new ATOM 0 HA LYS D 75 22.119 8.321 15.704 1.00 26.49 H new ATOM 0 HB2 LYS D 75 20.555 8.214 13.603 1.00 26.31 H new ATOM 0 HB3 LYS D 75 19.545 7.185 14.599 1.00 26.31 H new ATOM 0 HG2 LYS D 75 18.618 9.022 15.491 1.00 25.95 H new ATOM 0 HG3 LYS D 75 20.158 9.409 16.233 1.00 25.95 H new ATOM 0 HD2 LYS D 75 20.783 10.876 14.504 1.00 24.98 H new ATOM 0 HD3 LYS D 75 19.708 10.131 13.338 1.00 24.98 H new ATOM 0 HE2 LYS D 75 18.467 12.012 13.796 1.00 26.95 H new ATOM 0 HE3 LYS D 75 17.826 10.964 15.046 1.00 26.95 H new ATOM 0 HZ1 LYS D 75 18.582 12.344 16.586 1.00 27.89 H new ATOM 0 HZ2 LYS D 75 20.171 12.222 16.002 1.00 27.89 H new ATOM 0 HZ3 LYS D 75 19.124 13.400 15.372 1.00 27.89 H new ATOM 1975 N ASP D 76 20.815 5.373 16.345 1.00 26.21 N ATOM 1976 CA ASP D 76 20.412 4.473 17.413 1.00 26.68 C ATOM 1977 C ASP D 76 21.632 3.944 18.158 1.00 27.01 C ATOM 1978 O ASP D 76 21.591 3.732 19.371 1.00 28.03 O ATOM 1979 CB ASP D 76 19.599 3.307 16.849 1.00 25.49 C ATOM 1980 CG ASP D 76 19.169 2.328 17.924 1.00 26.15 C ATOM 1981 OD1 ASP D 76 18.456 2.749 18.858 1.00 27.47 O ATOM 1982 OD2 ASP D 76 19.548 1.142 17.833 1.00 25.46 O ATOM 0 H ASP D 76 20.840 4.944 15.420 1.00 26.21 H new ATOM 0 HA ASP D 76 19.790 5.031 18.113 1.00 26.68 H new ATOM 0 HB2 ASP D 76 18.716 3.695 16.341 1.00 25.49 H new ATOM 0 HB3 ASP D 76 20.193 2.782 16.100 1.00 25.49 H new ATOM 1987 N LEU D 77 22.720 3.737 17.423 1.00 26.18 N ATOM 1988 CA LEU D 77 23.959 3.236 18.005 1.00 26.40 C ATOM 1989 C LEU D 77 24.461 4.176 19.096 1.00 27.66 C ATOM 1990 O LEU D 77 24.902 3.733 20.157 1.00 28.29 O ATOM 1991 CB LEU D 77 25.024 3.079 16.918 1.00 25.82 C ATOM 1992 CG LEU D 77 24.953 1.774 16.124 1.00 26.07 C ATOM 1993 CD1 LEU D 77 25.818 1.861 14.875 1.00 23.90 C ATOM 1994 CD2 LEU D 77 25.383 0.599 16.990 1.00 27.46 C ATOM 0 H LEU D 77 22.768 3.910 16.419 1.00 26.18 H new ATOM 0 HA LEU D 77 23.760 2.262 18.453 1.00 26.40 H new ATOM 0 HB2 LEU D 77 24.937 3.914 16.223 1.00 25.82 H new ATOM 0 HB3 LEU D 77 26.008 3.151 17.382 1.00 25.82 H new ATOM 0 HG LEU D 77 23.920 1.615 15.816 1.00 26.07 H new ATOM 0 HD11 LEU D 77 25.755 0.923 14.323 1.00 23.90 H new ATOM 0 HD12 LEU D 77 25.466 2.678 14.245 1.00 23.90 H new ATOM 0 HD13 LEU D 77 26.854 2.044 15.162 1.00 23.90 H new ATOM 0 HD21 LEU D 77 25.326 -0.321 16.409 1.00 27.46 H new ATOM 0 HD22 LEU D 77 26.408 0.752 17.328 1.00 27.46 H new ATOM 0 HD23 LEU D 77 24.723 0.523 17.854 1.00 27.46 H new ATOM 2006 N TYR D 78 24.390 5.475 18.828 1.00 28.02 N ATOM 2007 CA TYR D 78 24.835 6.481 19.786 1.00 29.20 C ATOM 2008 C TYR D 78 23.783 6.701 20.869 1.00 32.14 C ATOM 2009 O TYR D 78 24.098 6.734 22.059 1.00 33.65 O ATOM 2010 CB TYR D 78 25.126 7.800 19.069 1.00 28.06 C ATOM 2011 CG TYR D 78 26.511 7.877 18.468 1.00 26.36 C ATOM 2012 CD1 TYR D 78 27.633 7.417 19.179 1.00 24.71 C ATOM 2013 CD2 TYR D 78 26.710 8.413 17.184 1.00 26.43 C ATOM 2014 CE1 TYR D 78 28.916 7.488 18.626 1.00 23.23 C ATOM 2015 CE2 TYR D 78 27.988 8.486 16.624 1.00 24.93 C ATOM 2016 CZ TYR D 78 29.087 8.023 17.348 1.00 23.35 C ATOM 2017 OH TYR D 78 30.347 8.095 16.800 1.00 21.98 O ATOM 0 H TYR D 78 24.028 5.857 17.954 1.00 28.02 H new ATOM 0 HA TYR D 78 25.749 6.121 20.258 1.00 29.20 H new ATOM 0 HB2 TYR D 78 24.389 7.943 18.279 1.00 28.06 H new ATOM 0 HB3 TYR D 78 25.000 8.621 19.775 1.00 28.06 H new ATOM 0 HD1 TYR D 78 27.502 7.002 20.168 1.00 24.71 H new ATOM 0 HD2 TYR D 78 25.862 8.774 16.621 1.00 26.43 H new ATOM 0 HE1 TYR D 78 29.769 7.131 19.184 1.00 23.23 H new ATOM 0 HE2 TYR D 78 28.124 8.899 15.635 1.00 24.93 H new ATOM 0 HH TYR D 78 30.276 8.262 15.837 1.00 21.98 H new ATOM 2027 N LYS D 79 22.533 6.857 20.446 1.00 33.09 N ATOM 2028 CA LYS D 79 21.429 7.077 21.373 1.00 35.90 C ATOM 2029 C LYS D 79 21.390 5.995 22.447 1.00 37.44 C ATOM 2030 O LYS D 79 20.910 6.227 23.557 1.00 39.06 O ATOM 2031 CB LYS D 79 20.101 7.105 20.612 1.00 36.88 C ATOM 2032 CG LYS D 79 18.882 7.174 21.516 1.00 38.24 C ATOM 2033 CD LYS D 79 17.737 7.922 20.852 1.00 40.40 C ATOM 2034 CE LYS D 79 16.660 6.970 20.359 1.00 41.17 C ATOM 2035 NZ LYS D 79 15.361 7.665 20.142 1.00 43.79 N ATOM 0 H LYS D 79 22.259 6.835 19.464 1.00 33.09 H new ATOM 0 HA LYS D 79 21.584 8.039 21.862 1.00 35.90 H new ATOM 0 HB2 LYS D 79 20.094 7.964 19.941 1.00 36.88 H new ATOM 0 HB3 LYS D 79 20.030 6.214 19.989 1.00 36.88 H new ATOM 0 HG2 LYS D 79 18.559 6.165 21.771 1.00 38.24 H new ATOM 0 HG3 LYS D 79 19.148 7.669 22.450 1.00 38.24 H new ATOM 0 HD2 LYS D 79 17.303 8.628 21.560 1.00 40.40 H new ATOM 0 HD3 LYS D 79 18.120 8.505 20.014 1.00 40.40 H new ATOM 0 HE2 LYS D 79 16.984 6.507 19.427 1.00 41.17 H new ATOM 0 HE3 LYS D 79 16.526 6.167 21.084 1.00 41.17 H new ATOM 0 HZ1 LYS D 79 14.653 6.981 19.806 1.00 43.79 H new ATOM 0 HZ2 LYS D 79 15.039 8.086 21.037 1.00 43.79 H new ATOM 0 HZ3 LYS D 79 15.483 8.414 19.431 1.00 43.79 H new