USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 THR OG1 : rot 77:sc= 0.0628 USER MOD Set 1.2: D 62 GLN : amide:sc= -2.33! C(o=-2.3!,f=-6.3!) USER MOD Set 2.1: B 62 GLN : amide:sc= -2.07! C(o=-2!,f=-6.1!) USER MOD Set 2.2: D 73 THR OG1 : rot 78:sc= 0.065 USER MOD Set 3.1: A 69 MET CE :methyl -135:sc= -1.53 (180deg=-5.48!) USER MOD Set 3.2: A 73 THR OG1 : rot -160:sc= 1.4 USER MOD Set 3.3: C 69 MET CE :methyl -134:sc= -0.893 (180deg=-4.41!) USER MOD Set 3.4: C 73 THR OG1 : rot -171:sc= 1.2 USER MOD Single : A 62 GLN : amide:sc= -0.855 K(o=-0.85,f=-2.4!) USER MOD Single : A 63 SER OG : rot -85:sc= 0.69 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.638) 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 -100:sc= -3.03 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 56:sc= 0.168 USER MOD Single : B 63 SER OG : rot -91:sc= 0.525 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 153:sc= -6.37! (180deg=-8.49!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 165:sc= -0.839 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.855 K(o=-0.85,f=-2.5!) USER MOD Single : C 63 SER OG : rot -87:sc= 0.662 USER MOD Single : C 67 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.925) 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 -100:sc= -3.12 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot 46:sc= 0.112 USER MOD Single : D 63 SER OG : rot -87:sc= 0.572 USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 156:sc= -6.21! (180deg=-8.33!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= 0 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.677 -12.135 -17.269 1.00 34.30 N ATOM 54 CA ALA A 55 25.353 -10.817 -16.740 1.00 32.77 C ATOM 55 C ALA A 55 24.551 -10.939 -15.451 1.00 30.42 C ATOM 56 O ALA A 55 24.767 -10.189 -14.499 1.00 29.64 O ATOM 57 CB ALA A 55 24.583 -10.007 -17.773 1.00 32.12 C ATOM 0 HA ALA A 55 26.284 -10.297 -16.515 1.00 32.77 H new ATOM 0 HB1 ALA A 55 24.348 -9.025 -17.363 1.00 32.12 H new ATOM 0 HB2 ALA A 55 25.191 -9.890 -18.670 1.00 32.12 H new ATOM 0 HB3 ALA A 55 23.658 -10.525 -18.026 1.00 32.12 H new ATOM 63 N GLU A 56 23.628 -11.896 -15.425 1.00 29.41 N ATOM 64 CA GLU A 56 22.799 -12.126 -14.250 1.00 27.36 C ATOM 65 C GLU A 56 23.645 -12.652 -13.097 1.00 28.35 C ATOM 66 O GLU A 56 23.672 -12.070 -12.013 1.00 28.68 O ATOM 67 CB GLU A 56 21.678 -13.117 -14.570 1.00 26.56 C ATOM 68 CG GLU A 56 20.656 -13.261 -13.455 1.00 26.30 C ATOM 69 CD GLU A 56 20.100 -14.668 -13.351 1.00 27.21 C ATOM 70 OE1 GLU A 56 19.629 -15.197 -14.380 1.00 29.06 O ATOM 71 OE2 GLU A 56 20.136 -15.240 -12.241 1.00 26.32 O ATOM 0 H GLU A 56 23.437 -12.524 -16.206 1.00 29.41 H new ATOM 0 HA GLU A 56 22.353 -11.176 -13.955 1.00 27.36 H new ATOM 0 HB2 GLU A 56 21.169 -12.796 -15.479 1.00 26.56 H new ATOM 0 HB3 GLU A 56 22.116 -14.093 -14.778 1.00 26.56 H new ATOM 0 HG2 GLU A 56 21.117 -12.986 -12.507 1.00 26.30 H new ATOM 0 HG3 GLU A 56 19.837 -12.562 -13.626 1.00 26.30 H new ATOM 78 N ARG A 57 24.343 -13.753 -13.348 1.00 28.92 N ATOM 79 CA ARG A 57 25.203 -14.359 -12.340 1.00 30.06 C ATOM 80 C ARG A 57 26.275 -13.373 -11.894 1.00 29.45 C ATOM 81 O ARG A 57 26.572 -13.255 -10.704 1.00 29.83 O ATOM 82 CB ARG A 57 25.856 -15.629 -12.891 1.00 31.55 C ATOM 83 CG ARG A 57 26.067 -16.708 -11.842 1.00 30.70 C ATOM 84 CD ARG A 57 27.529 -17.121 -11.754 1.00 31.93 C ATOM 85 NE ARG A 57 27.855 -18.184 -12.699 1.00 33.27 N ATOM 86 CZ ARG A 57 27.378 -19.422 -12.609 1.00 32.66 C ATOM 87 NH1 ARG A 57 26.557 -19.748 -11.620 1.00 30.76 N ATOM 88 NH2 ARG A 57 27.721 -20.334 -13.508 1.00 34.03 N ATOM 0 H ARG A 57 24.330 -14.244 -14.242 1.00 28.92 H new ATOM 0 HA ARG A 57 24.590 -14.624 -11.479 1.00 30.06 H new ATOM 0 HB2 ARG A 57 25.234 -16.029 -13.692 1.00 31.55 H new ATOM 0 HB3 ARG A 57 26.818 -15.370 -13.333 1.00 31.55 H new ATOM 0 HG2 ARG A 57 25.732 -16.344 -10.871 1.00 30.70 H new ATOM 0 HG3 ARG A 57 25.456 -17.577 -12.085 1.00 30.70 H new ATOM 0 HD2 ARG A 57 28.162 -16.256 -11.949 1.00 31.93 H new ATOM 0 HD3 ARG A 57 27.751 -17.456 -10.741 1.00 31.93 H new ATOM 0 HE ARG A 57 28.484 -17.965 -13.472 1.00 33.27 H new ATOM 0 HH11 ARG A 57 26.290 -19.049 -10.927 1.00 30.76 H new ATOM 0 HH12 ARG A 57 26.192 -20.698 -11.552 1.00 30.76 H new ATOM 0 HH21 ARG A 57 28.352 -20.087 -14.270 1.00 34.03 H new ATOM 0 HH22 ARG A 57 27.354 -21.283 -13.437 1.00 34.03 H new ATOM 102 N LEU A 58 26.845 -12.661 -12.858 1.00 28.62 N ATOM 103 CA LEU A 58 27.879 -11.675 -12.574 1.00 28.00 C ATOM 104 C LEU A 58 27.362 -10.618 -11.606 1.00 25.05 C ATOM 105 O LEU A 58 28.026 -10.281 -10.625 1.00 24.20 O ATOM 106 CB LEU A 58 28.350 -11.009 -13.870 1.00 29.10 C ATOM 107 CG LEU A 58 29.440 -11.767 -14.630 1.00 30.84 C ATOM 108 CD1 LEU A 58 29.854 -11.000 -15.875 1.00 30.22 C ATOM 109 CD2 LEU A 58 30.640 -12.014 -13.730 1.00 32.25 C ATOM 0 H LEU A 58 26.608 -12.749 -13.846 1.00 28.62 H new ATOM 0 HA LEU A 58 28.722 -12.189 -12.112 1.00 28.00 H new ATOM 0 HB2 LEU A 58 27.491 -10.883 -14.528 1.00 29.10 H new ATOM 0 HB3 LEU A 58 28.720 -10.011 -13.634 1.00 29.10 H new ATOM 0 HG LEU A 58 29.038 -12.731 -14.940 1.00 30.84 H new ATOM 0 HD11 LEU A 58 30.630 -11.554 -16.403 1.00 30.22 H new ATOM 0 HD12 LEU A 58 28.991 -10.873 -16.528 1.00 30.22 H new ATOM 0 HD13 LEU A 58 30.239 -10.021 -15.588 1.00 30.22 H new ATOM 0 HD21 LEU A 58 31.406 -12.554 -14.286 1.00 32.25 H new ATOM 0 HD22 LEU A 58 31.043 -11.060 -13.390 1.00 32.25 H new ATOM 0 HD23 LEU A 58 30.332 -12.605 -12.868 1.00 32.25 H new ATOM 121 N ALA A 59 26.171 -10.100 -11.887 1.00 23.57 N ATOM 122 CA ALA A 59 25.561 -9.084 -11.038 1.00 20.72 C ATOM 123 C ALA A 59 25.545 -9.528 -9.581 1.00 19.82 C ATOM 124 O ALA A 59 25.769 -8.727 -8.673 1.00 19.91 O ATOM 125 CB ALA A 59 24.148 -8.778 -11.513 1.00 19.32 C ATOM 0 H ALA A 59 25.610 -10.367 -12.696 1.00 23.57 H new ATOM 0 HA ALA A 59 26.161 -8.177 -11.109 1.00 20.72 H new ATOM 0 HB1 ALA A 59 23.705 -8.018 -10.870 1.00 19.32 H new ATOM 0 HB2 ALA A 59 24.180 -8.411 -12.539 1.00 19.32 H new ATOM 0 HB3 ALA A 59 23.545 -9.685 -11.471 1.00 19.32 H new ATOM 131 N ASP A 60 25.281 -10.812 -9.365 1.00 19.22 N ATOM 132 CA ASP A 60 25.240 -11.368 -8.018 1.00 18.61 C ATOM 133 C ASP A 60 26.641 -11.432 -7.419 1.00 18.10 C ATOM 134 O ASP A 60 26.811 -11.354 -6.202 1.00 17.46 O ATOM 135 CB ASP A 60 24.615 -12.764 -8.038 1.00 19.36 C ATOM 136 CG ASP A 60 23.502 -12.915 -7.019 1.00 20.10 C ATOM 137 OD1 ASP A 60 23.787 -12.805 -5.809 1.00 20.85 O ATOM 138 OD2 ASP A 60 22.345 -13.142 -7.433 1.00 20.11 O ATOM 0 H ASP A 60 25.092 -11.487 -10.106 1.00 19.22 H new ATOM 0 HA ASP A 60 24.627 -10.715 -7.398 1.00 18.61 H new ATOM 0 HB2 ASP A 60 24.222 -12.969 -9.034 1.00 19.36 H new ATOM 0 HB3 ASP A 60 25.387 -13.508 -7.841 1.00 19.36 H new ATOM 143 N GLU A 61 27.642 -11.571 -8.283 1.00 18.66 N ATOM 144 CA GLU A 61 29.029 -11.641 -7.839 1.00 18.29 C ATOM 145 C GLU A 61 29.560 -10.251 -7.515 1.00 18.00 C ATOM 146 O GLU A 61 30.278 -10.060 -6.534 1.00 17.84 O ATOM 147 CB GLU A 61 29.902 -12.298 -8.910 1.00 18.78 C ATOM 148 CG GLU A 61 30.916 -13.282 -8.346 1.00 20.84 C ATOM 149 CD GLU A 61 30.529 -14.726 -8.600 1.00 21.28 C ATOM 150 OE1 GLU A 61 29.842 -14.988 -9.610 1.00 20.30 O ATOM 151 OE2 GLU A 61 30.913 -15.595 -7.789 1.00 22.80 O ATOM 0 H GLU A 61 27.518 -11.637 -9.293 1.00 18.66 H new ATOM 0 HA GLU A 61 29.066 -12.248 -6.934 1.00 18.29 H new ATOM 0 HB2 GLU A 61 29.261 -12.817 -9.622 1.00 18.78 H new ATOM 0 HB3 GLU A 61 30.430 -11.522 -9.464 1.00 18.78 H new ATOM 0 HG2 GLU A 61 31.892 -13.087 -8.791 1.00 20.84 H new ATOM 0 HG3 GLU A 61 31.017 -13.120 -7.273 1.00 20.84 H new ATOM 158 N GLN A 62 29.195 -9.279 -8.344 1.00 18.25 N ATOM 159 CA GLN A 62 29.628 -7.902 -8.143 1.00 18.37 C ATOM 160 C GLN A 62 29.006 -7.328 -6.875 1.00 17.89 C ATOM 161 O GLN A 62 29.665 -6.618 -6.114 1.00 18.78 O ATOM 162 CB GLN A 62 29.247 -7.041 -9.349 1.00 17.38 C ATOM 163 CG GLN A 62 29.809 -7.554 -10.665 1.00 18.75 C ATOM 164 CD GLN A 62 31.294 -7.849 -10.589 1.00 18.65 C ATOM 165 OE1 GLN A 62 32.008 -7.289 -9.758 1.00 18.74 O ATOM 166 NE2 GLN A 62 31.767 -8.733 -11.461 1.00 18.56 N ATOM 0 H GLN A 62 28.601 -9.420 -9.161 1.00 18.25 H new ATOM 0 HA GLN A 62 30.713 -7.896 -8.036 1.00 18.37 H new ATOM 0 HB2 GLN A 62 28.160 -6.993 -9.422 1.00 17.38 H new ATOM 0 HB3 GLN A 62 29.601 -6.023 -9.185 1.00 17.38 H new ATOM 0 HG2 GLN A 62 29.277 -8.460 -10.955 1.00 18.75 H new ATOM 0 HG3 GLN A 62 29.629 -6.815 -11.446 1.00 18.75 H new ATOM 0 HE21 GLN A 62 31.138 -9.173 -12.133 1.00 18.56 H new ATOM 0 HE22 GLN A 62 32.759 -8.971 -11.459 1.00 18.56 H new ATOM 175 N SER A 63 27.736 -7.648 -6.650 1.00 16.67 N ATOM 176 CA SER A 63 27.027 -7.171 -5.470 1.00 16.28 C ATOM 177 C SER A 63 27.677 -7.710 -4.201 1.00 16.02 C ATOM 178 O SER A 63 27.775 -7.008 -3.195 1.00 14.82 O ATOM 179 CB SER A 63 25.557 -7.593 -5.524 1.00 16.98 C ATOM 180 OG SER A 63 25.427 -8.933 -5.965 1.00 18.14 O ATOM 0 H SER A 63 27.178 -8.235 -7.269 1.00 16.67 H new ATOM 0 HA SER A 63 27.081 -6.082 -5.456 1.00 16.28 H new ATOM 0 HB2 SER A 63 25.108 -7.487 -4.536 1.00 16.98 H new ATOM 0 HB3 SER A 63 25.010 -6.931 -6.195 1.00 16.98 H new ATOM 0 HG SER A 63 25.422 -8.956 -6.945 1.00 18.14 H new ATOM 186 N GLU A 64 28.123 -8.961 -4.258 1.00 17.26 N ATOM 187 CA GLU A 64 28.767 -9.594 -3.115 1.00 17.22 C ATOM 188 C GLU A 64 30.023 -8.829 -2.711 1.00 15.93 C ATOM 189 O GLU A 64 30.327 -8.696 -1.526 1.00 14.63 O ATOM 190 CB GLU A 64 29.125 -11.046 -3.441 1.00 18.72 C ATOM 191 CG GLU A 64 27.918 -11.964 -3.524 1.00 18.29 C ATOM 192 CD GLU A 64 27.865 -12.961 -2.382 1.00 19.56 C ATOM 193 OE1 GLU A 64 27.527 -12.551 -1.252 1.00 19.16 O ATOM 194 OE2 GLU A 64 28.164 -14.150 -2.619 1.00 21.04 O ATOM 0 H GLU A 64 28.050 -9.555 -5.084 1.00 17.26 H new ATOM 0 HA GLU A 64 28.066 -9.580 -2.280 1.00 17.22 H new ATOM 0 HB2 GLU A 64 29.660 -11.076 -4.390 1.00 18.72 H new ATOM 0 HB3 GLU A 64 29.807 -11.424 -2.679 1.00 18.72 H new ATOM 0 HG2 GLU A 64 27.008 -11.364 -3.520 1.00 18.29 H new ATOM 0 HG3 GLU A 64 27.940 -12.503 -4.471 1.00 18.29 H new ATOM 201 N LEU A 65 30.747 -8.328 -3.704 1.00 16.38 N ATOM 202 CA LEU A 65 31.970 -7.575 -3.453 1.00 15.32 C ATOM 203 C LEU A 65 31.663 -6.279 -2.709 1.00 13.08 C ATOM 204 O LEU A 65 32.457 -5.820 -1.888 1.00 13.39 O ATOM 205 CB LEU A 65 32.684 -7.263 -4.770 1.00 16.01 C ATOM 206 CG LEU A 65 33.752 -8.276 -5.185 1.00 18.06 C ATOM 207 CD1 LEU A 65 33.791 -8.421 -6.698 1.00 18.14 C ATOM 208 CD2 LEU A 65 35.114 -7.857 -4.653 1.00 19.83 C ATOM 0 H LEU A 65 30.509 -8.429 -4.691 1.00 16.38 H new ATOM 0 HA LEU A 65 32.624 -8.187 -2.832 1.00 15.32 H new ATOM 0 HB2 LEU A 65 31.939 -7.199 -5.563 1.00 16.01 H new ATOM 0 HB3 LEU A 65 33.149 -6.281 -4.689 1.00 16.01 H new ATOM 0 HG LEU A 65 33.496 -9.244 -4.755 1.00 18.06 H new ATOM 0 HD11 LEU A 65 34.557 -9.146 -6.974 1.00 18.14 H new ATOM 0 HD12 LEU A 65 32.820 -8.764 -7.056 1.00 18.14 H new ATOM 0 HD13 LEU A 65 34.024 -7.457 -7.150 1.00 18.14 H new ATOM 0 HD21 LEU A 65 35.864 -8.588 -4.956 1.00 19.83 H new ATOM 0 HD22 LEU A 65 35.377 -6.879 -5.056 1.00 19.83 H new ATOM 0 HD23 LEU A 65 35.079 -7.804 -3.565 1.00 19.83 H new ATOM 220 N VAL A 66 30.508 -5.693 -3.006 1.00 11.36 N ATOM 221 CA VAL A 66 30.098 -4.449 -2.371 1.00 9.50 C ATOM 222 C VAL A 66 29.475 -4.696 -1.001 1.00 7.48 C ATOM 223 O VAL A 66 29.624 -3.884 -0.088 1.00 7.89 O ATOM 224 CB VAL A 66 29.096 -3.676 -3.249 1.00 10.09 C ATOM 225 CG1 VAL A 66 28.731 -2.348 -2.604 1.00 9.11 C ATOM 226 CG2 VAL A 66 29.667 -3.460 -4.643 1.00 12.41 C ATOM 0 H VAL A 66 29.840 -6.061 -3.683 1.00 11.36 H new ATOM 0 HA VAL A 66 31.001 -3.851 -2.246 1.00 9.50 H new ATOM 0 HB VAL A 66 28.187 -4.270 -3.339 1.00 10.09 H new ATOM 0 HG11 VAL A 66 28.022 -1.817 -3.240 1.00 9.11 H new ATOM 0 HG12 VAL A 66 28.279 -2.529 -1.629 1.00 9.11 H new ATOM 0 HG13 VAL A 66 29.630 -1.744 -2.480 1.00 9.11 H new ATOM 0 HG21 VAL A 66 28.946 -2.912 -5.251 1.00 12.41 H new ATOM 0 HG22 VAL A 66 30.592 -2.887 -4.573 1.00 12.41 H new ATOM 0 HG23 VAL A 66 29.872 -4.425 -5.106 1.00 12.41 H new ATOM 236 N LYS A 67 28.781 -5.820 -0.855 1.00 6.14 N ATOM 237 CA LYS A 67 28.151 -6.157 0.413 1.00 5.28 C ATOM 238 C LYS A 67 29.202 -6.599 1.428 1.00 7.78 C ATOM 239 O LYS A 67 29.044 -6.398 2.632 1.00 9.07 O ATOM 240 CB LYS A 67 27.086 -7.247 0.219 1.00 5.21 C ATOM 241 CG LYS A 67 27.636 -8.665 0.198 1.00 5.30 C ATOM 242 CD LYS A 67 26.534 -9.686 -0.027 1.00 4.74 C ATOM 243 CE LYS A 67 25.878 -10.091 1.283 1.00 5.56 C ATOM 244 NZ LYS A 67 25.034 -11.308 1.130 1.00 7.47 N ATOM 0 H LYS A 67 28.642 -6.508 -1.595 1.00 6.14 H new ATOM 0 HA LYS A 67 27.654 -5.267 0.799 1.00 5.28 H new ATOM 0 HB2 LYS A 67 26.351 -7.167 1.020 1.00 5.21 H new ATOM 0 HB3 LYS A 67 26.559 -7.061 -0.717 1.00 5.21 H new ATOM 0 HG2 LYS A 67 28.383 -8.755 -0.590 1.00 5.30 H new ATOM 0 HG3 LYS A 67 28.141 -8.875 1.141 1.00 5.30 H new ATOM 0 HD2 LYS A 67 25.783 -9.271 -0.699 1.00 4.74 H new ATOM 0 HD3 LYS A 67 26.947 -10.568 -0.517 1.00 4.74 H new ATOM 0 HE2 LYS A 67 26.648 -10.275 2.032 1.00 5.56 H new ATOM 0 HE3 LYS A 67 25.265 -9.268 1.651 1.00 5.56 H new ATOM 0 HZ1 LYS A 67 24.968 -11.801 2.043 1.00 7.47 H new ATOM 0 HZ2 LYS A 67 24.082 -11.033 0.815 1.00 7.47 H new ATOM 0 HZ3 LYS A 67 25.462 -11.941 0.425 1.00 7.47 H new ATOM 258 N LYS A 68 30.279 -7.196 0.925 1.00 8.88 N ATOM 259 CA LYS A 68 31.364 -7.661 1.780 1.00 11.27 C ATOM 260 C LYS A 68 32.192 -6.483 2.277 1.00 11.05 C ATOM 261 O LYS A 68 32.539 -6.410 3.456 1.00 12.38 O ATOM 262 CB LYS A 68 32.255 -8.649 1.024 1.00 13.64 C ATOM 263 CG LYS A 68 33.346 -9.266 1.884 1.00 16.23 C ATOM 264 CD LYS A 68 34.668 -9.344 1.138 1.00 16.82 C ATOM 265 CE LYS A 68 34.569 -10.250 -0.079 1.00 17.10 C ATOM 266 NZ LYS A 68 35.785 -10.163 -0.935 1.00 18.41 N ATOM 0 H LYS A 68 30.423 -7.369 -0.070 1.00 8.88 H new ATOM 0 HA LYS A 68 30.929 -8.170 2.640 1.00 11.27 H new ATOM 0 HB2 LYS A 68 31.634 -9.445 0.614 1.00 13.64 H new ATOM 0 HB3 LYS A 68 32.716 -8.137 0.179 1.00 13.64 H new ATOM 0 HG2 LYS A 68 33.473 -8.675 2.791 1.00 16.23 H new ATOM 0 HG3 LYS A 68 33.043 -10.266 2.195 1.00 16.23 H new ATOM 0 HD2 LYS A 68 34.970 -8.344 0.825 1.00 16.82 H new ATOM 0 HD3 LYS A 68 35.443 -9.716 1.808 1.00 16.82 H new ATOM 0 HE2 LYS A 68 34.426 -11.281 0.246 1.00 17.10 H new ATOM 0 HE3 LYS A 68 33.692 -9.976 -0.665 1.00 17.10 H new ATOM 0 HZ1 LYS A 68 35.679 -10.795 -1.754 1.00 18.41 H new ATOM 0 HZ2 LYS A 68 35.907 -9.185 -1.266 1.00 18.41 H new ATOM 0 HZ3 LYS A 68 36.619 -10.448 -0.383 1.00 18.41 H new ATOM 280 N MET A 69 32.501 -5.558 1.373 1.00 9.41 N ATOM 281 CA MET A 69 33.280 -4.381 1.728 1.00 9.12 C ATOM 282 C MET A 69 32.519 -3.529 2.738 1.00 7.38 C ATOM 283 O MET A 69 33.109 -2.961 3.657 1.00 6.39 O ATOM 284 CB MET A 69 33.615 -3.557 0.482 1.00 8.87 C ATOM 285 CG MET A 69 32.425 -2.819 -0.103 1.00 6.78 C ATOM 286 SD MET A 69 32.892 -1.695 -1.432 1.00 8.51 S ATOM 287 CE MET A 69 31.674 -0.400 -1.226 1.00 8.51 C ATOM 0 H MET A 69 32.224 -5.602 0.392 1.00 9.41 H new ATOM 0 HA MET A 69 34.215 -4.711 2.181 1.00 9.12 H new ATOM 0 HB2 MET A 69 34.391 -2.834 0.734 1.00 8.87 H new ATOM 0 HB3 MET A 69 34.030 -4.218 -0.279 1.00 8.87 H new ATOM 0 HG2 MET A 69 31.703 -3.543 -0.481 1.00 6.78 H new ATOM 0 HG3 MET A 69 31.928 -2.256 0.686 1.00 6.78 H new ATOM 0 HE1 MET A 69 31.266 -0.126 -2.199 1.00 8.51 H new ATOM 0 HE2 MET A 69 30.870 -0.756 -0.582 1.00 8.51 H new ATOM 0 HE3 MET A 69 32.144 0.472 -0.771 1.00 8.51 H new ATOM 297 N VAL A 70 31.202 -3.456 2.565 1.00 7.84 N ATOM 298 CA VAL A 70 30.354 -2.691 3.466 1.00 7.58 C ATOM 299 C VAL A 70 30.263 -3.383 4.823 1.00 8.73 C ATOM 300 O VAL A 70 30.297 -2.734 5.867 1.00 8.86 O ATOM 301 CB VAL A 70 28.936 -2.499 2.872 1.00 7.35 C ATOM 302 CG1 VAL A 70 27.955 -1.961 3.909 1.00 7.39 C ATOM 303 CG2 VAL A 70 28.997 -1.573 1.672 1.00 5.47 C ATOM 0 H VAL A 70 30.701 -3.919 1.807 1.00 7.84 H new ATOM 0 HA VAL A 70 30.805 -1.707 3.597 1.00 7.58 H new ATOM 0 HB VAL A 70 28.572 -3.476 2.555 1.00 7.35 H new ATOM 0 HG11 VAL A 70 26.973 -1.841 3.452 1.00 7.39 H new ATOM 0 HG12 VAL A 70 27.885 -2.661 4.741 1.00 7.39 H new ATOM 0 HG13 VAL A 70 28.306 -0.996 4.275 1.00 7.39 H new ATOM 0 HG21 VAL A 70 27.996 -1.444 1.261 1.00 5.47 H new ATOM 0 HG22 VAL A 70 29.391 -0.604 1.980 1.00 5.47 H new ATOM 0 HG23 VAL A 70 29.648 -2.005 0.912 1.00 5.47 H new ATOM 313 N PHE A 71 30.160 -4.708 4.797 1.00 10.24 N ATOM 314 CA PHE A 71 30.078 -5.484 6.024 1.00 11.77 C ATOM 315 C PHE A 71 31.251 -5.150 6.938 1.00 11.26 C ATOM 316 O PHE A 71 31.062 -4.689 8.061 1.00 11.33 O ATOM 317 CB PHE A 71 30.063 -6.984 5.713 1.00 14.15 C ATOM 318 CG PHE A 71 30.202 -7.850 6.934 1.00 16.17 C ATOM 319 CD1 PHE A 71 29.138 -7.985 7.837 1.00 17.50 C ATOM 320 CD2 PHE A 71 31.402 -8.527 7.196 1.00 17.00 C ATOM 321 CE1 PHE A 71 29.268 -8.781 8.978 1.00 19.55 C ATOM 322 CE2 PHE A 71 31.538 -9.322 8.336 1.00 19.23 C ATOM 323 CZ PHE A 71 30.470 -9.450 9.228 1.00 20.46 C ATOM 0 H PHE A 71 30.132 -5.263 3.942 1.00 10.24 H new ATOM 0 HA PHE A 71 29.149 -5.226 6.533 1.00 11.77 H new ATOM 0 HB2 PHE A 71 29.131 -7.233 5.205 1.00 14.15 H new ATOM 0 HB3 PHE A 71 30.874 -7.212 5.021 1.00 14.15 H new ATOM 0 HD1 PHE A 71 28.208 -7.468 7.649 1.00 17.50 H new ATOM 0 HD2 PHE A 71 32.230 -8.432 6.509 1.00 17.00 H new ATOM 0 HE1 PHE A 71 28.441 -8.879 9.666 1.00 19.55 H new ATOM 0 HE2 PHE A 71 32.468 -9.837 8.528 1.00 19.23 H new ATOM 0 HZ PHE A 71 30.573 -10.065 10.110 1.00 20.46 H new ATOM 333 N ASP A 72 32.464 -5.380 6.445 1.00 11.13 N ATOM 334 CA ASP A 72 33.666 -5.097 7.218 1.00 10.63 C ATOM 335 C ASP A 72 33.651 -3.658 7.719 1.00 8.60 C ATOM 336 O ASP A 72 33.931 -3.395 8.889 1.00 8.60 O ATOM 337 CB ASP A 72 34.915 -5.343 6.369 1.00 10.96 C ATOM 338 CG ASP A 72 35.263 -6.815 6.265 1.00 13.31 C ATOM 339 OD1 ASP A 72 34.551 -7.638 6.876 1.00 14.62 O ATOM 340 OD2 ASP A 72 36.249 -7.144 5.573 1.00 13.95 O ATOM 0 H ASP A 72 32.639 -5.761 5.515 1.00 11.13 H new ATOM 0 HA ASP A 72 33.687 -5.767 8.078 1.00 10.63 H new ATOM 0 HB2 ASP A 72 34.757 -4.938 5.369 1.00 10.96 H new ATOM 0 HB3 ASP A 72 35.757 -4.803 6.802 1.00 10.96 H new ATOM 345 N THR A 73 33.316 -2.729 6.828 1.00 7.37 N ATOM 346 CA THR A 73 33.255 -1.318 7.187 1.00 5.97 C ATOM 347 C THR A 73 32.223 -1.099 8.286 1.00 7.99 C ATOM 348 O THR A 73 32.572 -0.802 9.430 1.00 8.28 O ATOM 349 CB THR A 73 32.910 -0.468 5.956 1.00 4.20 C ATOM 350 OG1 THR A 73 34.000 -0.433 5.053 1.00 2.62 O ATOM 351 CG2 THR A 73 32.545 0.967 6.288 1.00 5.62 C ATOM 0 H THR A 73 33.083 -2.928 5.855 1.00 7.37 H new ATOM 0 HA THR A 73 34.233 -1.010 7.558 1.00 5.97 H new ATOM 0 HB THR A 73 32.038 -0.950 5.513 1.00 4.20 H new ATOM 0 HG1 THR A 73 33.906 0.339 4.457 1.00 2.62 H new ATOM 0 HG21 THR A 73 32.314 1.506 5.369 1.00 5.62 H new ATOM 0 HG22 THR A 73 31.675 0.979 6.944 1.00 5.62 H new ATOM 0 HG23 THR A 73 33.384 1.449 6.790 1.00 5.62 H new ATOM 359 N LEU A 74 30.950 -1.246 7.933 1.00 9.55 N ATOM 360 CA LEU A 74 29.870 -1.064 8.893 1.00 11.84 C ATOM 361 C LEU A 74 30.112 -1.893 10.149 1.00 13.46 C ATOM 362 O LEU A 74 29.789 -1.468 11.257 1.00 15.15 O ATOM 363 CB LEU A 74 28.531 -1.440 8.261 1.00 11.92 C ATOM 364 CG LEU A 74 28.057 -0.506 7.147 1.00 12.33 C ATOM 365 CD1 LEU A 74 26.582 -0.729 6.865 1.00 14.75 C ATOM 366 CD2 LEU A 74 28.321 0.948 7.519 1.00 11.90 C ATOM 0 H LEU A 74 30.643 -1.490 6.991 1.00 9.55 H new ATOM 0 HA LEU A 74 29.843 -0.013 9.179 1.00 11.84 H new ATOM 0 HB2 LEU A 74 28.607 -2.451 7.860 1.00 11.92 H new ATOM 0 HB3 LEU A 74 27.771 -1.464 9.042 1.00 11.92 H new ATOM 0 HG LEU A 74 28.619 -0.732 6.241 1.00 12.33 H new ATOM 0 HD11 LEU A 74 26.258 -0.057 6.070 1.00 14.75 H new ATOM 0 HD12 LEU A 74 26.423 -1.762 6.555 1.00 14.75 H new ATOM 0 HD13 LEU A 74 26.005 -0.528 7.767 1.00 14.75 H new ATOM 0 HD21 LEU A 74 27.977 1.598 6.714 1.00 11.90 H new ATOM 0 HD22 LEU A 74 27.785 1.192 8.436 1.00 11.90 H new ATOM 0 HD23 LEU A 74 29.390 1.096 7.673 1.00 11.90 H new ATOM 378 N LYS A 75 30.689 -3.074 9.967 1.00 13.34 N ATOM 379 CA LYS A 75 30.985 -3.957 11.088 1.00 15.26 C ATOM 380 C LYS A 75 31.837 -3.231 12.117 1.00 16.62 C ATOM 381 O LYS A 75 31.383 -2.932 13.221 1.00 18.97 O ATOM 382 CB LYS A 75 31.714 -5.211 10.600 1.00 14.41 C ATOM 383 CG LYS A 75 32.173 -6.126 11.723 1.00 15.08 C ATOM 384 CD LYS A 75 32.649 -7.466 11.188 1.00 14.53 C ATOM 385 CE LYS A 75 34.028 -7.820 11.720 1.00 15.24 C ATOM 386 NZ LYS A 75 34.050 -9.169 12.353 1.00 15.34 N ATOM 0 H LYS A 75 30.961 -3.442 9.055 1.00 13.34 H new ATOM 0 HA LYS A 75 30.045 -4.255 11.552 1.00 15.26 H new ATOM 0 HB2 LYS A 75 31.054 -5.769 9.935 1.00 14.41 H new ATOM 0 HB3 LYS A 75 32.580 -4.911 10.011 1.00 14.41 H new ATOM 0 HG2 LYS A 75 32.980 -5.647 12.278 1.00 15.08 H new ATOM 0 HG3 LYS A 75 31.353 -6.283 12.424 1.00 15.08 H new ATOM 0 HD2 LYS A 75 31.939 -8.244 11.468 1.00 14.53 H new ATOM 0 HD3 LYS A 75 32.675 -7.436 10.099 1.00 14.53 H new ATOM 0 HE2 LYS A 75 34.750 -7.790 10.904 1.00 15.24 H new ATOM 0 HE3 LYS A 75 34.339 -7.072 12.449 1.00 15.24 H new ATOM 0 HZ1 LYS A 75 35.008 -9.373 12.703 1.00 15.34 H new ATOM 0 HZ2 LYS A 75 33.379 -9.191 13.148 1.00 15.34 H new ATOM 0 HZ3 LYS A 75 33.778 -9.886 11.651 1.00 15.34 H new ATOM 400 N ASP A 76 33.076 -2.947 11.739 1.00 15.23 N ATOM 401 CA ASP A 76 34.004 -2.247 12.620 1.00 16.44 C ATOM 402 C ASP A 76 33.496 -0.843 12.935 1.00 17.01 C ATOM 403 O ASP A 76 33.747 -0.311 14.017 1.00 18.82 O ATOM 404 CB ASP A 76 35.392 -2.170 11.979 1.00 15.03 C ATOM 405 CG ASP A 76 36.503 -2.420 12.981 1.00 14.51 C ATOM 406 OD1 ASP A 76 36.572 -3.542 13.524 1.00 14.15 O ATOM 407 OD2 ASP A 76 37.304 -1.492 13.221 1.00 14.52 O ATOM 0 H ASP A 76 33.463 -3.190 10.827 1.00 15.23 H new ATOM 0 HA ASP A 76 34.075 -2.807 13.552 1.00 16.44 H new ATOM 0 HB2 ASP A 76 35.460 -2.902 11.175 1.00 15.03 H new ATOM 0 HB3 ASP A 76 35.527 -1.187 11.527 1.00 15.03 H new ATOM 412 N LEU A 77 32.778 -0.246 11.986 1.00 15.71 N ATOM 413 CA LEU A 77 32.237 1.094 12.169 1.00 16.54 C ATOM 414 C LEU A 77 31.202 1.103 13.292 1.00 19.58 C ATOM 415 O LEU A 77 31.223 1.973 14.162 1.00 20.72 O ATOM 416 CB LEU A 77 31.619 1.593 10.858 1.00 15.66 C ATOM 417 CG LEU A 77 30.619 2.745 10.989 1.00 17.19 C ATOM 418 CD1 LEU A 77 31.135 3.794 11.961 1.00 17.53 C ATOM 419 CD2 LEU A 77 30.341 3.367 9.628 1.00 18.45 C ATOM 0 H LEU A 77 32.559 -0.670 11.085 1.00 15.71 H new ATOM 0 HA LEU A 77 33.048 1.766 12.450 1.00 16.54 H new ATOM 0 HB2 LEU A 77 32.425 1.910 10.196 1.00 15.66 H new ATOM 0 HB3 LEU A 77 31.118 0.755 10.372 1.00 15.66 H new ATOM 0 HG LEU A 77 29.684 2.345 11.382 1.00 17.19 H new ATOM 0 HD11 LEU A 77 30.410 4.604 12.040 1.00 17.53 H new ATOM 0 HD12 LEU A 77 31.281 3.341 12.941 1.00 17.53 H new ATOM 0 HD13 LEU A 77 32.084 4.190 11.599 1.00 17.53 H new ATOM 0 HD21 LEU A 77 29.628 4.184 9.740 1.00 18.45 H new ATOM 0 HD22 LEU A 77 31.270 3.751 9.207 1.00 18.45 H new ATOM 0 HD23 LEU A 77 29.925 2.612 8.961 1.00 18.45 H new ATOM 431 N TYR A 78 30.303 0.124 13.269 1.00 20.87 N ATOM 432 CA TYR A 78 29.269 0.016 14.291 1.00 23.77 C ATOM 433 C TYR A 78 29.873 -0.422 15.621 1.00 24.60 C ATOM 434 O TYR A 78 29.306 -0.171 16.685 1.00 26.04 O ATOM 435 CB TYR A 78 28.185 -0.972 13.854 1.00 25.05 C ATOM 436 CG TYR A 78 27.384 -0.516 12.653 1.00 25.87 C ATOM 437 CD1 TYR A 78 27.216 0.852 12.369 1.00 26.61 C ATOM 438 CD2 TYR A 78 26.783 -1.452 11.792 1.00 26.11 C ATOM 439 CE1 TYR A 78 26.474 1.272 11.262 1.00 27.42 C ATOM 440 CE2 TYR A 78 26.040 -1.038 10.683 1.00 26.83 C ATOM 441 CZ TYR A 78 25.889 0.325 10.423 1.00 27.42 C ATOM 442 OH TYR A 78 25.158 0.736 9.332 1.00 28.20 O ATOM 0 H TYR A 78 30.270 -0.604 12.555 1.00 20.87 H new ATOM 0 HA TYR A 78 28.815 0.998 14.422 1.00 23.77 H new ATOM 0 HB2 TYR A 78 28.652 -1.930 13.624 1.00 25.05 H new ATOM 0 HB3 TYR A 78 27.505 -1.142 14.689 1.00 25.05 H new ATOM 0 HD1 TYR A 78 27.668 1.589 13.017 1.00 26.61 H new ATOM 0 HD2 TYR A 78 26.898 -2.507 11.991 1.00 26.11 H new ATOM 0 HE1 TYR A 78 26.354 2.326 11.057 1.00 27.42 H new ATOM 0 HE2 TYR A 78 25.585 -1.769 10.031 1.00 26.83 H new ATOM 0 HH TYR A 78 24.202 0.693 9.544 1.00 28.20 H new ATOM 452 N LYS A 79 31.032 -1.073 15.557 1.00 23.78 N ATOM 453 CA LYS A 79 31.714 -1.536 16.758 1.00 24.44 C ATOM 454 C LYS A 79 32.361 -0.365 17.490 1.00 25.60 C ATOM 455 O LYS A 79 32.514 -0.390 18.711 1.00 26.18 O ATOM 456 CB LYS A 79 32.772 -2.580 16.399 1.00 22.20 C ATOM 457 CG LYS A 79 33.365 -3.286 17.608 1.00 22.04 C ATOM 458 CD LYS A 79 32.713 -4.640 17.837 1.00 23.10 C ATOM 459 CE LYS A 79 33.497 -5.757 17.167 1.00 21.06 C ATOM 460 NZ LYS A 79 34.549 -6.310 18.063 1.00 21.20 N ATOM 0 H LYS A 79 31.516 -1.291 14.686 1.00 23.78 H new ATOM 0 HA LYS A 79 30.977 -1.994 17.417 1.00 24.44 H new ATOM 0 HB2 LYS A 79 32.327 -3.323 15.737 1.00 22.20 H new ATOM 0 HB3 LYS A 79 33.574 -2.096 15.842 1.00 22.20 H new ATOM 0 HG2 LYS A 79 34.438 -3.417 17.464 1.00 22.04 H new ATOM 0 HG3 LYS A 79 33.236 -2.664 18.494 1.00 22.04 H new ATOM 0 HD2 LYS A 79 32.643 -4.835 18.907 1.00 23.10 H new ATOM 0 HD3 LYS A 79 31.695 -4.625 17.448 1.00 23.10 H new ATOM 0 HE2 LYS A 79 32.814 -6.554 16.873 1.00 21.06 H new ATOM 0 HE3 LYS A 79 33.959 -5.380 16.254 1.00 21.06 H new ATOM 0 HZ1 LYS A 79 35.061 -7.069 17.570 1.00 21.20 H new ATOM 0 HZ2 LYS A 79 35.215 -5.555 18.323 1.00 21.20 H new ATOM 0 HZ3 LYS A 79 34.107 -6.693 18.923 1.00 21.20 H new ATOM 474 N LYS A 80 32.739 0.663 16.733 1.00 26.11 N ATOM 475 CA LYS A 80 33.367 1.844 17.307 1.00 27.44 C ATOM 476 C LYS A 80 32.374 2.625 18.161 1.00 29.80 C ATOM 477 O LYS A 80 32.734 3.189 19.194 1.00 31.35 O ATOM 478 CB LYS A 80 33.921 2.744 16.200 1.00 27.18 C ATOM 479 CG LYS A 80 35.417 2.588 15.980 1.00 25.37 C ATOM 480 CD LYS A 80 36.108 3.938 15.877 1.00 25.06 C ATOM 481 CE LYS A 80 37.615 3.785 15.758 1.00 24.86 C ATOM 482 NZ LYS A 80 38.284 3.822 17.088 1.00 26.98 N ATOM 0 H LYS A 80 32.620 0.699 15.721 1.00 26.11 H new ATOM 0 HA LYS A 80 34.189 1.515 17.943 1.00 27.44 H new ATOM 0 HB2 LYS A 80 33.400 2.522 15.268 1.00 27.18 H new ATOM 0 HB3 LYS A 80 33.705 3.784 16.446 1.00 27.18 H new ATOM 0 HG2 LYS A 80 35.849 2.018 16.803 1.00 25.37 H new ATOM 0 HG3 LYS A 80 35.594 2.017 15.069 1.00 25.37 H new ATOM 0 HD2 LYS A 80 35.727 4.478 15.010 1.00 25.06 H new ATOM 0 HD3 LYS A 80 35.870 4.537 16.756 1.00 25.06 H new ATOM 0 HE2 LYS A 80 37.846 2.843 15.262 1.00 24.86 H new ATOM 0 HE3 LYS A 80 38.012 4.582 15.130 1.00 24.86 H new ATOM 0 HZ1 LYS A 80 39.311 3.714 16.963 1.00 26.98 H new ATOM 0 HZ2 LYS A 80 38.085 4.731 17.552 1.00 26.98 H new ATOM 0 HZ3 LYS A 80 37.924 3.046 17.679 1.00 26.98 H new ATOM 496 N THR A 81 31.121 2.653 17.721 1.00 30.20 N ATOM 497 CA THR A 81 30.071 3.363 18.442 1.00 32.50 C ATOM 498 C THR A 81 29.864 2.765 19.827 1.00 34.06 C ATOM 499 O THR A 81 30.053 3.437 20.842 1.00 34.02 O ATOM 500 CB THR A 81 28.762 3.321 17.651 1.00 32.46 C ATOM 501 OG1 THR A 81 28.722 2.182 16.809 1.00 30.57 O ATOM 502 CG2 THR A 81 28.548 4.540 16.782 1.00 32.47 C ATOM 0 H THR A 81 30.807 2.192 16.867 1.00 30.20 H new ATOM 0 HA THR A 81 30.382 4.401 18.559 1.00 32.50 H new ATOM 0 HB THR A 81 27.972 3.287 18.402 1.00 32.46 H new ATOM 0 HG1 THR A 81 28.862 1.374 17.345 1.00 30.57 H new ATOM 0 HG21 THR A 81 27.602 4.445 16.249 1.00 32.47 H new ATOM 0 HG22 THR A 81 28.525 5.433 17.407 1.00 32.47 H new ATOM 0 HG23 THR A 81 29.363 4.622 16.063 1.00 32.47 H new ATOM 566 N ASP B 54 25.216 -6.483 18.474 1.00 31.80 N ATOM 567 CA ASP B 54 24.286 -6.025 17.448 1.00 29.42 C ATOM 568 C ASP B 54 25.024 -5.313 16.318 1.00 27.99 C ATOM 569 O ASP B 54 24.532 -5.241 15.192 1.00 26.67 O ATOM 570 CB ASP B 54 23.242 -5.087 18.059 1.00 28.90 C ATOM 571 CG ASP B 54 22.225 -5.828 18.904 1.00 28.43 C ATOM 572 OD1 ASP B 54 22.548 -6.168 20.062 1.00 29.72 O ATOM 573 OD2 ASP B 54 21.104 -6.070 18.407 1.00 27.00 O ATOM 0 HA ASP B 54 23.784 -6.900 17.034 1.00 29.42 H new ATOM 0 HB2 ASP B 54 23.744 -4.339 18.672 1.00 28.90 H new ATOM 0 HB3 ASP B 54 22.727 -4.552 17.261 1.00 28.90 H new ATOM 578 N ALA B 55 26.207 -4.790 16.625 1.00 28.45 N ATOM 579 CA ALA B 55 27.008 -4.086 15.631 1.00 27.36 C ATOM 580 C ALA B 55 27.187 -4.937 14.380 1.00 26.03 C ATOM 581 O ALA B 55 27.072 -4.443 13.258 1.00 24.30 O ATOM 582 CB ALA B 55 28.361 -3.707 16.214 1.00 29.01 C ATOM 0 H ALA B 55 26.631 -4.840 17.551 1.00 28.45 H new ATOM 0 HA ALA B 55 26.481 -3.174 15.350 1.00 27.36 H new ATOM 0 HB1 ALA B 55 28.948 -3.182 15.460 1.00 29.01 H new ATOM 0 HB2 ALA B 55 28.216 -3.058 17.078 1.00 29.01 H new ATOM 0 HB3 ALA B 55 28.890 -4.609 16.522 1.00 29.01 H new ATOM 588 N GLU B 56 27.463 -6.221 14.583 1.00 27.02 N ATOM 589 CA GLU B 56 27.651 -7.146 13.473 1.00 26.12 C ATOM 590 C GLU B 56 26.319 -7.436 12.787 1.00 24.62 C ATOM 591 O GLU B 56 26.207 -7.347 11.564 1.00 24.77 O ATOM 592 CB GLU B 56 28.280 -8.449 13.965 1.00 28.00 C ATOM 593 CG GLU B 56 28.651 -9.405 12.844 1.00 29.63 C ATOM 594 CD GLU B 56 28.238 -10.835 13.135 1.00 30.44 C ATOM 595 OE1 GLU B 56 27.020 -11.090 13.246 1.00 30.27 O ATOM 596 OE2 GLU B 56 29.132 -11.700 13.253 1.00 31.40 O ATOM 0 H GLU B 56 27.561 -6.644 15.506 1.00 27.02 H new ATOM 0 HA GLU B 56 28.323 -6.682 12.751 1.00 26.12 H new ATOM 0 HB2 GLU B 56 29.174 -8.216 14.543 1.00 28.00 H new ATOM 0 HB3 GLU B 56 27.584 -8.947 14.641 1.00 28.00 H new ATOM 0 HG2 GLU B 56 28.178 -9.075 11.919 1.00 29.63 H new ATOM 0 HG3 GLU B 56 29.728 -9.368 12.682 1.00 29.63 H new ATOM 603 N ARG B 57 25.312 -7.776 13.584 1.00 23.47 N ATOM 604 CA ARG B 57 23.986 -8.070 13.054 1.00 22.28 C ATOM 605 C ARG B 57 23.478 -6.907 12.210 1.00 21.15 C ATOM 606 O ARG B 57 22.789 -7.106 11.209 1.00 21.30 O ATOM 607 CB ARG B 57 23.007 -8.352 14.194 1.00 20.90 C ATOM 608 CG ARG B 57 23.422 -9.517 15.079 1.00 21.13 C ATOM 609 CD ARG B 57 22.249 -10.440 15.368 1.00 19.72 C ATOM 610 NE ARG B 57 22.333 -11.030 16.700 1.00 20.12 N ATOM 611 CZ ARG B 57 22.206 -10.333 17.824 1.00 19.16 C ATOM 612 NH1 ARG B 57 21.994 -9.025 17.774 1.00 17.80 N ATOM 613 NH2 ARG B 57 22.290 -10.943 18.999 1.00 19.74 N ATOM 0 H ARG B 57 25.389 -7.855 14.598 1.00 23.47 H new ATOM 0 HA ARG B 57 24.059 -8.956 12.423 1.00 22.28 H new ATOM 0 HB2 ARG B 57 22.910 -7.457 14.808 1.00 20.90 H new ATOM 0 HB3 ARG B 57 22.023 -8.559 13.774 1.00 20.90 H new ATOM 0 HG2 ARG B 57 24.218 -10.080 14.592 1.00 21.13 H new ATOM 0 HG3 ARG B 57 23.827 -9.137 16.017 1.00 21.13 H new ATOM 0 HD2 ARG B 57 21.317 -9.882 15.277 1.00 19.72 H new ATOM 0 HD3 ARG B 57 22.219 -11.233 14.621 1.00 19.72 H new ATOM 0 HE ARG B 57 22.499 -12.034 16.772 1.00 20.12 H new ATOM 0 HH11 ARG B 57 21.928 -8.553 16.872 1.00 17.80 H new ATOM 0 HH12 ARG B 57 21.897 -8.491 18.637 1.00 17.80 H new ATOM 0 HH21 ARG B 57 22.452 -11.949 19.041 1.00 19.74 H new ATOM 0 HH22 ARG B 57 22.192 -10.406 19.861 1.00 19.74 H new ATOM 627 N LEU B 58 23.828 -5.693 12.622 1.00 20.17 N ATOM 628 CA LEU B 58 23.413 -4.493 11.906 1.00 19.10 C ATOM 629 C LEU B 58 24.044 -4.447 10.521 1.00 18.17 C ATOM 630 O LEU B 58 23.345 -4.439 9.507 1.00 16.22 O ATOM 631 CB LEU B 58 23.800 -3.242 12.696 1.00 18.59 C ATOM 632 CG LEU B 58 22.779 -2.796 13.743 1.00 16.97 C ATOM 633 CD1 LEU B 58 23.455 -1.971 14.826 1.00 16.66 C ATOM 634 CD2 LEU B 58 21.658 -2.002 13.089 1.00 15.29 C ATOM 0 H LEU B 58 24.398 -5.515 13.449 1.00 20.17 H new ATOM 0 HA LEU B 58 22.329 -4.521 11.794 1.00 19.10 H new ATOM 0 HB2 LEU B 58 24.752 -3.426 13.194 1.00 18.59 H new ATOM 0 HB3 LEU B 58 23.960 -2.423 11.995 1.00 18.59 H new ATOM 0 HG LEU B 58 22.347 -3.684 14.205 1.00 16.97 H new ATOM 0 HD11 LEU B 58 22.714 -1.661 15.563 1.00 16.66 H new ATOM 0 HD12 LEU B 58 24.224 -2.571 15.314 1.00 16.66 H new ATOM 0 HD13 LEU B 58 23.913 -1.088 14.379 1.00 16.66 H new ATOM 0 HD21 LEU B 58 20.940 -1.692 13.849 1.00 15.29 H new ATOM 0 HD22 LEU B 58 22.073 -1.120 12.601 1.00 15.29 H new ATOM 0 HD23 LEU B 58 21.156 -2.624 12.348 1.00 15.29 H new ATOM 646 N ALA B 59 25.372 -4.417 10.488 1.00 19.59 N ATOM 647 CA ALA B 59 26.114 -4.375 9.232 1.00 18.94 C ATOM 648 C ALA B 59 25.563 -5.385 8.233 1.00 18.84 C ATOM 649 O ALA B 59 25.580 -5.153 7.025 1.00 18.63 O ATOM 650 CB ALA B 59 27.591 -4.633 9.488 1.00 18.76 C ATOM 0 H ALA B 59 25.960 -4.421 11.322 1.00 19.59 H new ATOM 0 HA ALA B 59 25.997 -3.381 8.801 1.00 18.94 H new ATOM 0 HB1 ALA B 59 28.135 -4.599 8.544 1.00 18.76 H new ATOM 0 HB2 ALA B 59 27.983 -3.869 10.160 1.00 18.76 H new ATOM 0 HB3 ALA B 59 27.715 -5.615 9.944 1.00 18.76 H new ATOM 656 N ASP B 60 25.071 -6.505 8.750 1.00 19.19 N ATOM 657 CA ASP B 60 24.507 -7.551 7.905 1.00 19.10 C ATOM 658 C ASP B 60 23.254 -7.048 7.199 1.00 16.50 C ATOM 659 O ASP B 60 23.066 -7.276 6.005 1.00 15.93 O ATOM 660 CB ASP B 60 24.182 -8.793 8.736 1.00 21.26 C ATOM 661 CG ASP B 60 23.729 -9.960 7.879 1.00 22.24 C ATOM 662 OD1 ASP B 60 23.168 -9.716 6.791 1.00 21.84 O ATOM 663 OD2 ASP B 60 23.935 -11.118 8.298 1.00 23.57 O ATOM 0 H ASP B 60 25.051 -6.712 9.749 1.00 19.19 H new ATOM 0 HA ASP B 60 25.247 -7.820 7.152 1.00 19.10 H new ATOM 0 HB2 ASP B 60 25.063 -9.086 9.307 1.00 21.26 H new ATOM 0 HB3 ASP B 60 23.401 -8.550 9.457 1.00 21.26 H new ATOM 668 N GLU B 61 22.400 -6.354 7.946 1.00 15.04 N ATOM 669 CA GLU B 61 21.169 -5.811 7.390 1.00 12.74 C ATOM 670 C GLU B 61 21.479 -4.728 6.365 1.00 10.49 C ATOM 671 O GLU B 61 20.779 -4.588 5.362 1.00 8.90 O ATOM 672 CB GLU B 61 20.289 -5.242 8.504 1.00 13.14 C ATOM 673 CG GLU B 61 20.073 -6.207 9.658 1.00 14.79 C ATOM 674 CD GLU B 61 19.281 -7.433 9.251 1.00 15.95 C ATOM 675 OE1 GLU B 61 18.540 -7.356 8.248 1.00 15.58 O ATOM 676 OE2 GLU B 61 19.402 -8.472 9.934 1.00 17.48 O ATOM 0 H GLU B 61 22.539 -6.156 8.937 1.00 15.04 H new ATOM 0 HA GLU B 61 20.631 -6.618 6.893 1.00 12.74 H new ATOM 0 HB2 GLU B 61 20.745 -4.328 8.885 1.00 13.14 H new ATOM 0 HB3 GLU B 61 19.321 -4.965 8.086 1.00 13.14 H new ATOM 0 HG2 GLU B 61 21.040 -6.518 10.053 1.00 14.79 H new ATOM 0 HG3 GLU B 61 19.550 -5.692 10.464 1.00 14.79 H new ATOM 683 N GLN B 62 22.541 -3.969 6.620 1.00 10.66 N ATOM 684 CA GLN B 62 22.956 -2.902 5.718 1.00 9.23 C ATOM 685 C GLN B 62 23.523 -3.482 4.427 1.00 9.30 C ATOM 686 O GLN B 62 23.185 -3.035 3.331 1.00 9.07 O ATOM 687 CB GLN B 62 24.006 -2.011 6.388 1.00 9.21 C ATOM 688 CG GLN B 62 23.811 -1.852 7.888 1.00 10.27 C ATOM 689 CD GLN B 62 22.366 -1.594 8.266 1.00 9.26 C ATOM 690 OE1 GLN B 62 21.516 -1.377 7.404 1.00 7.79 O ATOM 691 NE2 GLN B 62 22.082 -1.614 9.563 1.00 10.83 N ATOM 0 H GLN B 62 23.130 -4.074 7.446 1.00 10.66 H new ATOM 0 HA GLN B 62 22.079 -2.300 5.480 1.00 9.23 H new ATOM 0 HB2 GLN B 62 24.995 -2.429 6.202 1.00 9.21 H new ATOM 0 HB3 GLN B 62 23.984 -1.026 5.922 1.00 9.21 H new ATOM 0 HG2 GLN B 62 24.159 -2.753 8.393 1.00 10.27 H new ATOM 0 HG3 GLN B 62 24.428 -1.028 8.245 1.00 10.27 H new ATOM 0 HE21 GLN B 62 22.819 -1.798 10.244 1.00 10.83 H new ATOM 0 HE22 GLN B 62 21.127 -1.445 9.879 1.00 10.83 H new ATOM 700 N SER B 63 24.385 -4.485 4.566 1.00 10.46 N ATOM 701 CA SER B 63 24.999 -5.131 3.412 1.00 11.55 C ATOM 702 C SER B 63 23.931 -5.697 2.484 1.00 10.23 C ATOM 703 O SER B 63 23.834 -5.303 1.322 1.00 9.84 O ATOM 704 CB SER B 63 25.942 -6.246 3.864 1.00 14.08 C ATOM 705 OG SER B 63 25.555 -6.765 5.125 1.00 13.62 O ATOM 0 H SER B 63 24.674 -4.867 5.466 1.00 10.46 H new ATOM 0 HA SER B 63 25.574 -4.382 2.868 1.00 11.55 H new ATOM 0 HB2 SER B 63 25.944 -7.046 3.124 1.00 14.08 H new ATOM 0 HB3 SER B 63 26.961 -5.863 3.923 1.00 14.08 H new ATOM 0 HG SER B 63 26.009 -6.267 5.837 1.00 13.62 H new ATOM 711 N GLU B 64 23.125 -6.617 3.005 1.00 10.01 N ATOM 712 CA GLU B 64 22.060 -7.228 2.224 1.00 9.78 C ATOM 713 C GLU B 64 21.204 -6.154 1.560 1.00 7.77 C ATOM 714 O GLU B 64 20.695 -6.345 0.455 1.00 7.36 O ATOM 715 CB GLU B 64 21.194 -8.116 3.118 1.00 9.66 C ATOM 716 CG GLU B 64 20.298 -7.338 4.067 1.00 7.60 C ATOM 717 CD GLU B 64 19.247 -8.212 4.724 1.00 8.63 C ATOM 718 OE1 GLU B 64 18.231 -8.517 4.064 1.00 9.16 O ATOM 719 OE2 GLU B 64 19.440 -8.593 5.898 1.00 9.43 O ATOM 0 H GLU B 64 23.191 -6.954 3.965 1.00 10.01 H new ATOM 0 HA GLU B 64 22.509 -7.844 1.445 1.00 9.78 H new ATOM 0 HB2 GLU B 64 20.574 -8.755 2.489 1.00 9.66 H new ATOM 0 HB3 GLU B 64 21.841 -8.772 3.700 1.00 9.66 H new ATOM 0 HG2 GLU B 64 20.910 -6.871 4.838 1.00 7.60 H new ATOM 0 HG3 GLU B 64 19.806 -6.534 3.520 1.00 7.60 H new ATOM 726 N LEU B 65 21.061 -5.021 2.241 1.00 7.03 N ATOM 727 CA LEU B 65 20.278 -3.911 1.719 1.00 5.72 C ATOM 728 C LEU B 65 20.969 -3.295 0.508 1.00 3.95 C ATOM 729 O LEU B 65 20.348 -3.088 -0.535 1.00 3.61 O ATOM 730 CB LEU B 65 20.071 -2.848 2.801 1.00 5.33 C ATOM 731 CG LEU B 65 18.611 -2.522 3.117 1.00 7.33 C ATOM 732 CD1 LEU B 65 18.436 -2.245 4.601 1.00 8.17 C ATOM 733 CD2 LEU B 65 18.140 -1.333 2.293 1.00 7.05 C ATOM 0 H LEU B 65 21.478 -4.849 3.156 1.00 7.03 H new ATOM 0 HA LEU B 65 19.305 -4.293 1.411 1.00 5.72 H new ATOM 0 HB2 LEU B 65 20.559 -3.183 3.716 1.00 5.33 H new ATOM 0 HB3 LEU B 65 20.573 -1.932 2.490 1.00 5.33 H new ATOM 0 HG LEU B 65 18.001 -3.386 2.854 1.00 7.33 H new ATOM 0 HD11 LEU B 65 17.391 -2.015 4.807 1.00 8.17 H new ATOM 0 HD12 LEU B 65 18.734 -3.124 5.173 1.00 8.17 H new ATOM 0 HD13 LEU B 65 19.058 -1.397 4.889 1.00 8.17 H new ATOM 0 HD21 LEU B 65 17.099 -1.115 2.531 1.00 7.05 H new ATOM 0 HD22 LEU B 65 18.755 -0.463 2.525 1.00 7.05 H new ATOM 0 HD23 LEU B 65 18.228 -1.568 1.232 1.00 7.05 H new ATOM 745 N VAL B 66 22.259 -3.009 0.653 1.00 3.20 N ATOM 746 CA VAL B 66 23.034 -2.422 -0.430 1.00 3.00 C ATOM 747 C VAL B 66 23.132 -3.379 -1.613 1.00 2.92 C ATOM 748 O VAL B 66 23.178 -2.953 -2.768 1.00 3.22 O ATOM 749 CB VAL B 66 24.454 -2.049 0.033 1.00 4.45 C ATOM 750 CG1 VAL B 66 25.191 -1.294 -1.062 1.00 5.74 C ATOM 751 CG2 VAL B 66 24.400 -1.229 1.313 1.00 5.09 C ATOM 0 H VAL B 66 22.788 -3.175 1.509 1.00 3.20 H new ATOM 0 HA VAL B 66 22.512 -1.516 -0.739 1.00 3.00 H new ATOM 0 HB VAL B 66 25.002 -2.968 0.241 1.00 4.45 H new ATOM 0 HG11 VAL B 66 26.193 -1.039 -0.717 1.00 5.74 H new ATOM 0 HG12 VAL B 66 25.262 -1.920 -1.951 1.00 5.74 H new ATOM 0 HG13 VAL B 66 24.647 -0.381 -1.304 1.00 5.74 H new ATOM 0 HG21 VAL B 66 25.413 -0.975 1.625 1.00 5.09 H new ATOM 0 HG22 VAL B 66 23.834 -0.314 1.136 1.00 5.09 H new ATOM 0 HG23 VAL B 66 23.914 -1.810 2.097 1.00 5.09 H new ATOM 761 N LYS B 67 23.161 -4.673 -1.317 1.00 3.34 N ATOM 762 CA LYS B 67 23.252 -5.694 -2.355 1.00 4.15 C ATOM 763 C LYS B 67 22.068 -5.601 -3.311 1.00 5.74 C ATOM 764 O LYS B 67 22.242 -5.381 -4.510 1.00 5.50 O ATOM 765 CB LYS B 67 23.308 -7.088 -1.726 1.00 3.83 C ATOM 766 CG LYS B 67 23.396 -8.212 -2.746 1.00 4.02 C ATOM 767 CD LYS B 67 22.441 -9.347 -2.407 1.00 4.56 C ATOM 768 CE LYS B 67 23.174 -10.673 -2.281 1.00 4.23 C ATOM 769 NZ LYS B 67 22.272 -11.831 -2.530 1.00 6.16 N ATOM 0 H LYS B 67 23.123 -5.041 -0.366 1.00 3.34 H new ATOM 0 HA LYS B 67 24.168 -5.523 -2.921 1.00 4.15 H new ATOM 0 HB2 LYS B 67 24.170 -7.143 -1.061 1.00 3.83 H new ATOM 0 HB3 LYS B 67 22.421 -7.236 -1.110 1.00 3.83 H new ATOM 0 HG2 LYS B 67 23.164 -7.824 -3.738 1.00 4.02 H new ATOM 0 HG3 LYS B 67 24.417 -8.592 -2.783 1.00 4.02 H new ATOM 0 HD2 LYS B 67 21.927 -9.124 -1.472 1.00 4.56 H new ATOM 0 HD3 LYS B 67 21.677 -9.424 -3.181 1.00 4.56 H new ATOM 0 HE2 LYS B 67 24.002 -10.699 -2.989 1.00 4.23 H new ATOM 0 HE3 LYS B 67 23.605 -10.756 -1.283 1.00 4.23 H new ATOM 0 HZ1 LYS B 67 22.809 -12.716 -2.435 1.00 6.16 H new ATOM 0 HZ2 LYS B 67 21.495 -11.821 -1.838 1.00 6.16 H new ATOM 0 HZ3 LYS B 67 21.880 -11.766 -3.491 1.00 6.16 H new ATOM 783 N LYS B 68 20.863 -5.768 -2.776 1.00 7.63 N ATOM 784 CA LYS B 68 19.654 -5.700 -3.587 1.00 9.41 C ATOM 785 C LYS B 68 19.605 -4.394 -4.371 1.00 10.19 C ATOM 786 O LYS B 68 19.112 -4.351 -5.498 1.00 11.44 O ATOM 787 CB LYS B 68 18.411 -5.827 -2.705 1.00 9.53 C ATOM 788 CG LYS B 68 17.117 -5.948 -3.493 1.00 11.52 C ATOM 789 CD LYS B 68 15.905 -5.976 -2.577 1.00 13.05 C ATOM 790 CE LYS B 68 14.807 -5.051 -3.077 1.00 12.47 C ATOM 791 NZ LYS B 68 13.524 -5.266 -2.352 1.00 14.52 N ATOM 0 H LYS B 68 20.698 -5.951 -1.786 1.00 7.63 H new ATOM 0 HA LYS B 68 19.671 -6.530 -4.293 1.00 9.41 H new ATOM 0 HB2 LYS B 68 18.519 -6.701 -2.063 1.00 9.53 H new ATOM 0 HB3 LYS B 68 18.349 -4.957 -2.051 1.00 9.53 H new ATOM 0 HG2 LYS B 68 17.032 -5.110 -4.185 1.00 11.52 H new ATOM 0 HG3 LYS B 68 17.140 -6.857 -4.095 1.00 11.52 H new ATOM 0 HD2 LYS B 68 15.522 -6.994 -2.510 1.00 13.05 H new ATOM 0 HD3 LYS B 68 16.201 -5.680 -1.571 1.00 13.05 H new ATOM 0 HE2 LYS B 68 15.123 -4.015 -2.956 1.00 12.47 H new ATOM 0 HE3 LYS B 68 14.653 -5.215 -4.144 1.00 12.47 H new ATOM 0 HZ1 LYS B 68 12.802 -4.616 -2.723 1.00 14.52 H new ATOM 0 HZ2 LYS B 68 13.209 -6.248 -2.488 1.00 14.52 H new ATOM 0 HZ3 LYS B 68 13.664 -5.085 -1.337 1.00 14.52 H new ATOM 805 N MET B 69 20.127 -3.331 -3.768 1.00 9.82 N ATOM 806 CA MET B 69 20.151 -2.021 -4.407 1.00 10.79 C ATOM 807 C MET B 69 21.054 -2.044 -5.636 1.00 11.76 C ATOM 808 O MET B 69 20.663 -1.608 -6.719 1.00 12.51 O ATOM 809 CB MET B 69 20.639 -0.961 -3.417 1.00 9.80 C ATOM 810 CG MET B 69 20.778 0.426 -4.022 1.00 10.63 C ATOM 811 SD MET B 69 21.595 1.584 -2.910 1.00 10.43 S ATOM 812 CE MET B 69 23.201 0.808 -2.734 1.00 8.94 C ATOM 0 H MET B 69 20.540 -3.352 -2.836 1.00 9.82 H new ATOM 0 HA MET B 69 19.138 -1.771 -4.723 1.00 10.79 H new ATOM 0 HB2 MET B 69 19.944 -0.913 -2.578 1.00 9.80 H new ATOM 0 HB3 MET B 69 21.604 -1.270 -3.015 1.00 9.80 H new ATOM 0 HG2 MET B 69 21.344 0.359 -4.951 1.00 10.63 H new ATOM 0 HG3 MET B 69 19.790 0.808 -4.278 1.00 10.63 H new ATOM 0 HE1 MET B 69 23.949 1.567 -2.507 1.00 8.94 H new ATOM 0 HE2 MET B 69 23.166 0.079 -1.924 1.00 8.94 H new ATOM 0 HE3 MET B 69 23.466 0.305 -3.664 1.00 8.94 H new ATOM 822 N VAL B 70 22.264 -2.562 -5.459 1.00 12.09 N ATOM 823 CA VAL B 70 23.225 -2.650 -6.549 1.00 13.04 C ATOM 824 C VAL B 70 22.850 -3.769 -7.518 1.00 13.75 C ATOM 825 O VAL B 70 23.223 -3.738 -8.691 1.00 12.91 O ATOM 826 CB VAL B 70 24.653 -2.888 -6.018 1.00 13.05 C ATOM 827 CG1 VAL B 70 25.643 -3.027 -7.165 1.00 14.01 C ATOM 828 CG2 VAL B 70 25.064 -1.759 -5.084 1.00 11.34 C ATOM 0 H VAL B 70 22.602 -2.928 -4.569 1.00 12.09 H new ATOM 0 HA VAL B 70 23.202 -1.697 -7.078 1.00 13.04 H new ATOM 0 HB VAL B 70 24.659 -3.822 -5.456 1.00 13.05 H new ATOM 0 HG11 VAL B 70 26.643 -3.194 -6.764 1.00 14.01 H new ATOM 0 HG12 VAL B 70 25.357 -3.872 -7.792 1.00 14.01 H new ATOM 0 HG13 VAL B 70 25.639 -2.115 -7.762 1.00 14.01 H new ATOM 0 HG21 VAL B 70 26.074 -1.940 -4.717 1.00 11.34 H new ATOM 0 HG22 VAL B 70 25.039 -0.813 -5.624 1.00 11.34 H new ATOM 0 HG23 VAL B 70 24.374 -1.715 -4.241 1.00 11.34 H new ATOM 838 N PHE B 71 22.105 -4.752 -7.022 1.00 15.49 N ATOM 839 CA PHE B 71 21.677 -5.873 -7.848 1.00 16.50 C ATOM 840 C PHE B 71 20.807 -5.387 -9.002 1.00 18.36 C ATOM 841 O PHE B 71 20.969 -5.823 -10.142 1.00 18.58 O ATOM 842 CB PHE B 71 20.906 -6.894 -7.007 1.00 17.91 C ATOM 843 CG PHE B 71 20.581 -8.159 -7.748 1.00 18.46 C ATOM 844 CD1 PHE B 71 21.592 -8.899 -8.376 1.00 18.87 C ATOM 845 CD2 PHE B 71 19.259 -8.621 -7.824 1.00 18.93 C ATOM 846 CE1 PHE B 71 21.291 -10.078 -9.065 1.00 19.77 C ATOM 847 CE2 PHE B 71 18.952 -9.798 -8.513 1.00 19.58 C ATOM 848 CZ PHE B 71 19.970 -10.526 -9.134 1.00 20.01 C ATOM 0 H PHE B 71 21.786 -4.794 -6.054 1.00 15.49 H new ATOM 0 HA PHE B 71 22.566 -6.353 -8.257 1.00 16.50 H new ATOM 0 HB2 PHE B 71 21.493 -7.141 -6.122 1.00 17.91 H new ATOM 0 HB3 PHE B 71 19.979 -6.439 -6.658 1.00 17.91 H new ATOM 0 HD1 PHE B 71 22.615 -8.555 -8.327 1.00 18.87 H new ATOM 0 HD2 PHE B 71 18.469 -8.061 -7.345 1.00 18.93 H new ATOM 0 HE1 PHE B 71 22.079 -10.641 -9.543 1.00 19.77 H new ATOM 0 HE2 PHE B 71 17.930 -10.144 -8.565 1.00 19.58 H new ATOM 0 HZ PHE B 71 19.735 -11.435 -9.667 1.00 20.01 H new ATOM 858 N ASP B 72 19.886 -4.478 -8.698 1.00 19.91 N ATOM 859 CA ASP B 72 18.993 -3.927 -9.710 1.00 22.08 C ATOM 860 C ASP B 72 19.767 -3.049 -10.687 1.00 21.98 C ATOM 861 O ASP B 72 19.561 -3.121 -11.898 1.00 22.52 O ATOM 862 CB ASP B 72 17.874 -3.118 -9.051 1.00 23.78 C ATOM 863 CG ASP B 72 16.643 -3.958 -8.769 1.00 25.10 C ATOM 864 OD1 ASP B 72 16.797 -5.167 -8.497 1.00 26.39 O ATOM 865 OD2 ASP B 72 15.524 -3.405 -8.820 1.00 25.03 O ATOM 0 H ASP B 72 19.739 -4.108 -7.759 1.00 19.91 H new ATOM 0 HA ASP B 72 18.550 -4.756 -10.262 1.00 22.08 H new ATOM 0 HB2 ASP B 72 18.240 -2.690 -8.118 1.00 23.78 H new ATOM 0 HB3 ASP B 72 17.602 -2.285 -9.699 1.00 23.78 H new ATOM 870 N THR B 73 20.659 -2.220 -10.152 1.00 21.61 N ATOM 871 CA THR B 73 21.465 -1.331 -10.981 1.00 21.95 C ATOM 872 C THR B 73 22.273 -2.125 -12.001 1.00 22.89 C ATOM 873 O THR B 73 22.185 -1.882 -13.204 1.00 24.97 O ATOM 874 CB THR B 73 22.402 -0.491 -10.111 1.00 19.63 C ATOM 875 OG1 THR B 73 21.667 0.265 -9.165 1.00 20.18 O ATOM 876 CG2 THR B 73 23.254 0.473 -10.907 1.00 18.39 C ATOM 0 H THR B 73 20.841 -2.146 -9.151 1.00 21.61 H new ATOM 0 HA THR B 73 20.789 -0.665 -11.517 1.00 21.95 H new ATOM 0 HB THR B 73 23.058 -1.209 -9.618 1.00 19.63 H new ATOM 0 HG1 THR B 73 21.386 -0.317 -8.428 1.00 20.18 H new ATOM 0 HG21 THR B 73 23.895 1.037 -10.229 1.00 18.39 H new ATOM 0 HG22 THR B 73 23.872 -0.084 -11.612 1.00 18.39 H new ATOM 0 HG23 THR B 73 22.610 1.161 -11.454 1.00 18.39 H new ATOM 884 N LEU B 74 23.061 -3.078 -11.512 1.00 21.40 N ATOM 885 CA LEU B 74 23.884 -3.909 -12.383 1.00 22.12 C ATOM 886 C LEU B 74 23.032 -4.566 -13.464 1.00 22.90 C ATOM 887 O LEU B 74 23.428 -4.630 -14.628 1.00 23.70 O ATOM 888 CB LEU B 74 24.609 -4.981 -11.567 1.00 21.12 C ATOM 889 CG LEU B 74 25.692 -4.454 -10.627 1.00 18.67 C ATOM 890 CD1 LEU B 74 26.149 -5.545 -9.671 1.00 18.25 C ATOM 891 CD2 LEU B 74 26.871 -3.914 -11.422 1.00 18.29 C ATOM 0 H LEU B 74 23.147 -3.293 -10.519 1.00 21.40 H new ATOM 0 HA LEU B 74 24.624 -3.269 -12.864 1.00 22.12 H new ATOM 0 HB2 LEU B 74 23.873 -5.528 -10.978 1.00 21.12 H new ATOM 0 HB3 LEU B 74 25.062 -5.695 -12.255 1.00 21.12 H new ATOM 0 HG LEU B 74 25.269 -3.639 -10.040 1.00 18.67 H new ATOM 0 HD11 LEU B 74 26.920 -5.150 -9.010 1.00 18.25 H new ATOM 0 HD12 LEU B 74 25.302 -5.886 -9.076 1.00 18.25 H new ATOM 0 HD13 LEU B 74 26.553 -6.382 -10.240 1.00 18.25 H new ATOM 0 HD21 LEU B 74 27.633 -3.543 -10.736 1.00 18.29 H new ATOM 0 HD22 LEU B 74 27.292 -4.711 -12.035 1.00 18.29 H new ATOM 0 HD23 LEU B 74 26.534 -3.101 -12.065 1.00 18.29 H new ATOM 903 N LYS B 75 21.858 -5.051 -13.071 1.00 22.81 N ATOM 904 CA LYS B 75 20.948 -5.699 -14.007 1.00 23.66 C ATOM 905 C LYS B 75 20.721 -4.822 -15.232 1.00 24.65 C ATOM 906 O LYS B 75 20.704 -5.308 -16.364 1.00 25.12 O ATOM 907 CB LYS B 75 19.612 -6.001 -13.324 1.00 22.97 C ATOM 908 CG LYS B 75 18.835 -7.131 -13.979 1.00 23.22 C ATOM 909 CD LYS B 75 18.749 -8.345 -13.070 1.00 21.62 C ATOM 910 CE LYS B 75 17.718 -8.146 -11.970 1.00 21.56 C ATOM 911 NZ LYS B 75 16.333 -8.403 -12.454 1.00 22.20 N ATOM 0 H LYS B 75 21.515 -5.007 -12.111 1.00 22.81 H new ATOM 0 HA LYS B 75 21.401 -6.636 -14.331 1.00 23.66 H new ATOM 0 HB2 LYS B 75 19.797 -6.256 -12.280 1.00 22.97 H new ATOM 0 HB3 LYS B 75 18.999 -5.100 -13.329 1.00 22.97 H new ATOM 0 HG2 LYS B 75 17.830 -6.788 -14.226 1.00 23.22 H new ATOM 0 HG3 LYS B 75 19.316 -7.410 -14.916 1.00 23.22 H new ATOM 0 HD2 LYS B 75 18.489 -9.224 -13.659 1.00 21.62 H new ATOM 0 HD3 LYS B 75 19.725 -8.537 -12.625 1.00 21.62 H new ATOM 0 HE2 LYS B 75 17.942 -8.814 -11.138 1.00 21.56 H new ATOM 0 HE3 LYS B 75 17.786 -7.127 -11.589 1.00 21.56 H new ATOM 0 HZ1 LYS B 75 15.660 -8.257 -11.675 1.00 22.20 H new ATOM 0 HZ2 LYS B 75 16.110 -7.749 -13.231 1.00 22.20 H new ATOM 0 HZ3 LYS B 75 16.261 -9.383 -12.795 1.00 22.20 H new ATOM 925 N ASP B 76 20.549 -3.528 -14.996 1.00 24.98 N ATOM 926 CA ASP B 76 20.326 -2.577 -16.074 1.00 25.91 C ATOM 927 C ASP B 76 21.641 -2.199 -16.750 1.00 26.68 C ATOM 928 O ASP B 76 21.658 -1.780 -17.907 1.00 27.69 O ATOM 929 CB ASP B 76 19.635 -1.322 -15.538 1.00 25.44 C ATOM 930 CG ASP B 76 18.300 -1.631 -14.892 1.00 27.01 C ATOM 931 OD1 ASP B 76 18.005 -2.826 -14.680 1.00 28.03 O ATOM 932 OD2 ASP B 76 17.548 -0.679 -14.597 1.00 27.38 O ATOM 0 H ASP B 76 20.560 -3.113 -14.064 1.00 24.98 H new ATOM 0 HA ASP B 76 19.682 -3.051 -16.815 1.00 25.91 H new ATOM 0 HB2 ASP B 76 20.284 -0.836 -14.810 1.00 25.44 H new ATOM 0 HB3 ASP B 76 19.486 -0.615 -16.354 1.00 25.44 H new ATOM 937 N LEU B 77 22.743 -2.349 -16.018 1.00 26.23 N ATOM 938 CA LEU B 77 24.062 -2.023 -16.543 1.00 26.96 C ATOM 939 C LEU B 77 24.485 -3.015 -17.622 1.00 27.83 C ATOM 940 O LEU B 77 25.153 -2.648 -18.589 1.00 28.91 O ATOM 941 CB LEU B 77 25.092 -2.017 -15.412 1.00 26.26 C ATOM 942 CG LEU B 77 25.127 -0.739 -14.573 1.00 25.46 C ATOM 943 CD1 LEU B 77 26.092 -0.893 -13.407 1.00 22.51 C ATOM 944 CD2 LEU B 77 25.512 0.453 -15.434 1.00 26.55 C ATOM 0 H LEU B 77 22.746 -2.695 -15.058 1.00 26.23 H new ATOM 0 HA LEU B 77 24.011 -1.030 -16.991 1.00 26.96 H new ATOM 0 HB2 LEU B 77 24.889 -2.861 -14.752 1.00 26.26 H new ATOM 0 HB3 LEU B 77 26.081 -2.179 -15.841 1.00 26.26 H new ATOM 0 HG LEU B 77 24.129 -0.563 -14.171 1.00 25.46 H new ATOM 0 HD11 LEU B 77 26.104 0.026 -12.821 1.00 22.51 H new ATOM 0 HD12 LEU B 77 25.771 -1.722 -12.776 1.00 22.51 H new ATOM 0 HD13 LEU B 77 27.093 -1.094 -13.788 1.00 22.51 H new ATOM 0 HD21 LEU B 77 25.532 1.354 -14.820 1.00 26.55 H new ATOM 0 HD22 LEU B 77 26.499 0.286 -15.866 1.00 26.55 H new ATOM 0 HD23 LEU B 77 24.782 0.575 -16.234 1.00 26.55 H new ATOM 956 N TYR B 78 24.094 -4.273 -17.451 1.00 27.39 N ATOM 957 CA TYR B 78 24.435 -5.318 -18.409 1.00 28.19 C ATOM 958 C TYR B 78 23.490 -5.295 -19.605 1.00 30.94 C ATOM 959 O TYR B 78 23.923 -5.144 -20.748 1.00 31.30 O ATOM 960 CB TYR B 78 24.388 -6.689 -17.734 1.00 28.37 C ATOM 961 CG TYR B 78 25.665 -7.052 -17.008 1.00 26.29 C ATOM 962 CD1 TYR B 78 26.812 -7.442 -17.720 1.00 25.46 C ATOM 963 CD2 TYR B 78 25.732 -7.010 -15.606 1.00 25.35 C ATOM 964 CE1 TYR B 78 27.993 -7.778 -17.052 1.00 23.66 C ATOM 965 CE2 TYR B 78 26.909 -7.344 -14.930 1.00 23.59 C ATOM 966 CZ TYR B 78 28.036 -7.727 -15.658 1.00 22.70 C ATOM 967 OH TYR B 78 29.197 -8.057 -14.997 1.00 21.11 O ATOM 0 H TYR B 78 23.540 -4.594 -16.657 1.00 27.39 H new ATOM 0 HA TYR B 78 25.447 -5.129 -18.768 1.00 28.19 H new ATOM 0 HB2 TYR B 78 23.560 -6.708 -17.026 1.00 28.37 H new ATOM 0 HB3 TYR B 78 24.180 -7.449 -18.488 1.00 28.37 H new ATOM 0 HD1 TYR B 78 26.781 -7.483 -18.799 1.00 25.46 H new ATOM 0 HD2 TYR B 78 24.860 -6.715 -15.041 1.00 25.35 H new ATOM 0 HE1 TYR B 78 28.867 -8.075 -17.612 1.00 23.66 H new ATOM 0 HE2 TYR B 78 26.946 -7.306 -13.851 1.00 23.59 H new ATOM 0 HH TYR B 78 29.145 -7.747 -14.069 1.00 21.11 H new ATOM 977 N LYS B 79 22.196 -5.449 -19.336 1.00 32.97 N ATOM 978 CA LYS B 79 21.189 -5.450 -20.393 1.00 35.70 C ATOM 979 C LYS B 79 21.385 -4.268 -21.337 1.00 36.04 C ATOM 980 O LYS B 79 21.022 -4.333 -22.511 1.00 36.76 O ATOM 981 CB LYS B 79 19.785 -5.407 -19.787 1.00 36.85 C ATOM 982 CG LYS B 79 19.439 -4.074 -19.147 1.00 37.48 C ATOM 983 CD LYS B 79 18.154 -4.160 -18.339 1.00 39.51 C ATOM 984 CE LYS B 79 17.412 -2.833 -18.326 1.00 40.29 C ATOM 985 NZ LYS B 79 15.955 -3.008 -18.575 1.00 42.95 N ATOM 0 H LYS B 79 21.821 -5.575 -18.396 1.00 32.97 H new ATOM 0 HA LYS B 79 21.303 -6.370 -20.967 1.00 35.70 H new ATOM 0 HB2 LYS B 79 19.055 -5.627 -20.566 1.00 36.85 H new ATOM 0 HB3 LYS B 79 19.698 -6.194 -19.038 1.00 36.85 H new ATOM 0 HG2 LYS B 79 20.257 -3.757 -18.499 1.00 37.48 H new ATOM 0 HG3 LYS B 79 19.333 -3.314 -19.921 1.00 37.48 H new ATOM 0 HD2 LYS B 79 17.511 -4.933 -18.759 1.00 39.51 H new ATOM 0 HD3 LYS B 79 18.386 -4.458 -17.316 1.00 39.51 H new ATOM 0 HE2 LYS B 79 17.559 -2.344 -17.363 1.00 40.29 H new ATOM 0 HE3 LYS B 79 17.833 -2.174 -19.085 1.00 40.29 H new ATOM 0 HZ1 LYS B 79 15.486 -2.080 -18.558 1.00 42.95 H new ATOM 0 HZ2 LYS B 79 15.813 -3.451 -19.505 1.00 42.95 H new ATOM 0 HZ3 LYS B 79 15.547 -3.616 -17.836 1.00 42.95 H new ATOM 1103 N ALA C 55 27.140 13.097 18.732 1.00 32.76 N ATOM 1104 CA ALA C 55 26.671 11.821 18.211 1.00 30.89 C ATOM 1105 C ALA C 55 25.896 12.024 16.915 1.00 28.59 C ATOM 1106 O ALA C 55 26.031 11.248 15.970 1.00 26.92 O ATOM 1107 CB ALA C 55 25.806 11.114 19.243 1.00 31.35 C ATOM 0 HA ALA C 55 27.538 11.196 17.998 1.00 30.89 H new ATOM 0 HB1 ALA C 55 25.463 10.162 18.839 1.00 31.35 H new ATOM 0 HB2 ALA C 55 26.389 10.936 20.146 1.00 31.35 H new ATOM 0 HB3 ALA C 55 24.945 11.737 19.484 1.00 31.35 H new ATOM 1113 N GLU C 56 25.090 13.081 16.879 1.00 28.61 N ATOM 1114 CA GLU C 56 24.298 13.396 15.697 1.00 26.59 C ATOM 1115 C GLU C 56 25.204 13.814 14.547 1.00 25.71 C ATOM 1116 O GLU C 56 25.169 13.226 13.467 1.00 25.12 O ATOM 1117 CB GLU C 56 23.296 14.511 16.006 1.00 27.24 C ATOM 1118 CG GLU C 56 22.302 14.762 14.884 1.00 26.73 C ATOM 1119 CD GLU C 56 21.911 16.222 14.767 1.00 26.35 C ATOM 1120 OE1 GLU C 56 21.501 16.810 15.790 1.00 26.49 O ATOM 1121 OE2 GLU C 56 22.015 16.778 13.654 1.00 25.94 O ATOM 0 H GLU C 56 24.969 13.733 17.654 1.00 28.61 H new ATOM 0 HA GLU C 56 23.748 12.502 15.404 1.00 26.59 H new ATOM 0 HB2 GLU C 56 22.750 14.256 16.914 1.00 27.24 H new ATOM 0 HB3 GLU C 56 23.841 15.432 16.210 1.00 27.24 H new ATOM 0 HG2 GLU C 56 22.733 14.429 13.940 1.00 26.73 H new ATOM 0 HG3 GLU C 56 21.408 14.163 15.055 1.00 26.73 H new ATOM 1128 N ARG C 57 26.022 14.830 14.794 1.00 25.80 N ATOM 1129 CA ARG C 57 26.950 15.327 13.786 1.00 25.13 C ATOM 1130 C ARG C 57 27.902 14.221 13.350 1.00 24.49 C ATOM 1131 O ARG C 57 28.184 14.058 12.164 1.00 24.06 O ATOM 1132 CB ARG C 57 27.742 16.516 14.334 1.00 25.66 C ATOM 1133 CG ARG C 57 28.078 17.560 13.283 1.00 26.70 C ATOM 1134 CD ARG C 57 29.576 17.804 13.200 1.00 27.28 C ATOM 1135 NE ARG C 57 30.016 18.831 14.140 1.00 29.49 N ATOM 1136 CZ ARG C 57 29.682 20.114 14.038 1.00 30.39 C ATOM 1137 NH1 ARG C 57 28.907 20.523 13.044 1.00 29.35 N ATOM 1138 NH2 ARG C 57 30.123 20.987 14.934 1.00 32.49 N ATOM 0 H ARG C 57 26.061 15.326 15.684 1.00 25.80 H new ATOM 0 HA ARG C 57 26.376 15.656 12.920 1.00 25.13 H new ATOM 0 HB2 ARG C 57 27.168 16.987 15.132 1.00 25.66 H new ATOM 0 HB3 ARG C 57 28.667 16.151 14.780 1.00 25.66 H new ATOM 0 HG2 ARG C 57 27.707 17.233 12.312 1.00 26.70 H new ATOM 0 HG3 ARG C 57 27.569 18.494 13.520 1.00 26.70 H new ATOM 0 HD2 ARG C 57 30.107 16.874 13.405 1.00 27.28 H new ATOM 0 HD3 ARG C 57 29.839 18.104 12.186 1.00 27.28 H new ATOM 0 HE ARG C 57 30.612 18.549 14.918 1.00 29.49 H new ATOM 0 HH11 ARG C 57 28.565 19.853 12.355 1.00 29.35 H new ATOM 0 HH12 ARG C 57 28.652 21.508 12.968 1.00 29.35 H new ATOM 0 HH21 ARG C 57 30.718 20.674 15.701 1.00 32.49 H new ATOM 0 HH22 ARG C 57 29.867 21.971 14.856 1.00 32.49 H new ATOM 1152 N LEU C 58 28.388 13.459 14.323 1.00 24.60 N ATOM 1153 CA LEU C 58 29.304 12.359 14.050 1.00 24.21 C ATOM 1154 C LEU C 58 28.674 11.361 13.085 1.00 22.88 C ATOM 1155 O LEU C 58 29.299 10.944 12.109 1.00 22.72 O ATOM 1156 CB LEU C 58 29.692 11.653 15.351 1.00 23.60 C ATOM 1157 CG LEU C 58 30.851 12.291 16.116 1.00 24.26 C ATOM 1158 CD1 LEU C 58 31.169 11.490 17.369 1.00 24.27 C ATOM 1159 CD2 LEU C 58 32.080 12.398 15.225 1.00 23.93 C ATOM 0 H LEU C 58 28.162 13.584 15.310 1.00 24.60 H new ATOM 0 HA LEU C 58 30.202 12.770 13.589 1.00 24.21 H new ATOM 0 HB2 LEU C 58 28.820 11.623 16.004 1.00 23.60 H new ATOM 0 HB3 LEU C 58 29.954 10.620 15.121 1.00 23.60 H new ATOM 0 HG LEU C 58 30.554 13.296 16.417 1.00 24.26 H new ATOM 0 HD11 LEU C 58 31.997 11.959 17.901 1.00 24.27 H new ATOM 0 HD12 LEU C 58 30.292 11.462 18.015 1.00 24.27 H new ATOM 0 HD13 LEU C 58 31.447 10.473 17.090 1.00 24.27 H new ATOM 0 HD21 LEU C 58 32.896 12.854 15.785 1.00 23.93 H new ATOM 0 HD22 LEU C 58 32.378 11.403 14.895 1.00 23.93 H new ATOM 0 HD23 LEU C 58 31.847 13.014 14.356 1.00 23.93 H new ATOM 1171 N ALA C 59 27.429 10.984 13.363 1.00 22.12 N ATOM 1172 CA ALA C 59 26.711 10.037 12.518 1.00 20.93 C ATOM 1173 C ALA C 59 26.752 10.473 11.058 1.00 21.53 C ATOM 1174 O ALA C 59 26.885 9.646 10.156 1.00 21.52 O ATOM 1175 CB ALA C 59 25.271 9.898 12.989 1.00 19.13 C ATOM 0 H ALA C 59 26.898 11.320 14.166 1.00 22.12 H new ATOM 0 HA ALA C 59 27.202 9.067 12.597 1.00 20.93 H new ATOM 0 HB1 ALA C 59 24.746 9.188 12.350 1.00 19.13 H new ATOM 0 HB2 ALA C 59 25.258 9.538 14.018 1.00 19.13 H new ATOM 0 HB3 ALA C 59 24.776 10.868 12.937 1.00 19.13 H new ATOM 1181 N ASP C 60 26.641 11.778 10.833 1.00 22.29 N ATOM 1182 CA ASP C 60 26.669 12.326 9.483 1.00 23.11 C ATOM 1183 C ASP C 60 28.071 12.227 8.892 1.00 23.63 C ATOM 1184 O ASP C 60 28.237 12.121 7.677 1.00 24.08 O ATOM 1185 CB ASP C 60 26.206 13.784 9.491 1.00 24.38 C ATOM 1186 CG ASP C 60 25.124 14.053 8.463 1.00 23.21 C ATOM 1187 OD1 ASP C 60 25.401 13.903 7.256 1.00 23.13 O ATOM 1188 OD2 ASP C 60 23.999 14.414 8.867 1.00 22.56 O ATOM 0 H ASP C 60 26.531 12.476 11.569 1.00 22.29 H new ATOM 0 HA ASP C 60 25.988 11.743 8.863 1.00 23.11 H new ATOM 0 HB2 ASP C 60 25.832 14.038 10.483 1.00 24.38 H new ATOM 0 HB3 ASP C 60 27.059 14.434 9.296 1.00 24.38 H new ATOM 1193 N GLU C 61 29.076 12.257 9.760 1.00 23.61 N ATOM 1194 CA GLU C 61 30.464 12.165 9.325 1.00 24.11 C ATOM 1195 C GLU C 61 30.837 10.720 9.014 1.00 22.93 C ATOM 1196 O GLU C 61 31.540 10.445 8.043 1.00 23.49 O ATOM 1197 CB GLU C 61 31.399 12.728 10.397 1.00 24.67 C ATOM 1198 CG GLU C 61 32.520 13.586 9.835 1.00 24.50 C ATOM 1199 CD GLU C 61 32.301 15.066 10.080 1.00 24.97 C ATOM 1200 OE1 GLU C 61 31.639 15.410 11.082 1.00 26.13 O ATOM 1201 OE2 GLU C 61 32.789 15.881 9.270 1.00 24.35 O ATOM 0 H GLU C 61 28.955 12.344 10.769 1.00 23.61 H new ATOM 0 HA GLU C 61 30.574 12.756 8.416 1.00 24.11 H new ATOM 0 HB2 GLU C 61 30.816 13.322 11.101 1.00 24.67 H new ATOM 0 HB3 GLU C 61 31.832 11.901 10.960 1.00 24.67 H new ATOM 0 HG2 GLU C 61 33.465 13.283 10.286 1.00 24.50 H new ATOM 0 HG3 GLU C 61 32.606 13.408 8.763 1.00 24.50 H new ATOM 1208 N GLN C 62 30.355 9.802 9.845 1.00 21.43 N ATOM 1209 CA GLN C 62 30.631 8.383 9.655 1.00 20.30 C ATOM 1210 C GLN C 62 29.957 7.875 8.388 1.00 18.06 C ATOM 1211 O GLN C 62 30.533 7.088 7.636 1.00 18.15 O ATOM 1212 CB GLN C 62 30.148 7.580 10.865 1.00 19.52 C ATOM 1213 CG GLN C 62 30.760 8.033 12.181 1.00 21.73 C ATOM 1214 CD GLN C 62 32.268 8.162 12.110 1.00 22.60 C ATOM 1215 OE1 GLN C 62 32.919 7.523 11.283 1.00 22.12 O ATOM 1216 NE2 GLN C 62 32.833 8.990 12.980 1.00 24.01 N ATOM 0 H GLN C 62 29.773 10.015 10.655 1.00 21.43 H new ATOM 0 HA GLN C 62 31.708 8.252 9.554 1.00 20.30 H new ATOM 0 HB2 GLN C 62 29.063 7.658 10.933 1.00 19.52 H new ATOM 0 HB3 GLN C 62 30.382 6.527 10.709 1.00 19.52 H new ATOM 0 HG2 GLN C 62 30.330 8.993 12.465 1.00 21.73 H new ATOM 0 HG3 GLN C 62 30.497 7.322 12.964 1.00 21.73 H new ATOM 0 HE21 GLN C 62 32.255 9.500 13.648 1.00 24.01 H new ATOM 0 HE22 GLN C 62 33.845 9.116 12.980 1.00 24.01 H new ATOM 1225 N SER C 63 28.734 8.336 8.152 1.00 16.33 N ATOM 1226 CA SER C 63 27.980 7.935 6.971 1.00 14.16 C ATOM 1227 C SER C 63 28.694 8.389 5.703 1.00 13.32 C ATOM 1228 O SER C 63 28.721 7.674 4.702 1.00 11.74 O ATOM 1229 CB SER C 63 26.568 8.523 7.015 1.00 13.89 C ATOM 1230 OG SER C 63 26.592 9.873 7.447 1.00 14.68 O ATOM 0 H SER C 63 28.243 8.988 8.764 1.00 16.33 H new ATOM 0 HA SER C 63 27.908 6.847 6.963 1.00 14.16 H new ATOM 0 HB2 SER C 63 26.114 8.462 6.026 1.00 13.89 H new ATOM 0 HB3 SER C 63 25.946 7.933 7.688 1.00 13.89 H new ATOM 0 HG SER C 63 26.549 9.904 8.426 1.00 14.68 H new ATOM 1236 N GLU C 64 29.277 9.584 5.755 1.00 14.67 N ATOM 1237 CA GLU C 64 29.996 10.133 4.613 1.00 14.61 C ATOM 1238 C GLU C 64 31.159 9.229 4.221 1.00 14.25 C ATOM 1239 O GLU C 64 31.454 9.056 3.038 1.00 14.84 O ATOM 1240 CB GLU C 64 30.513 11.537 4.933 1.00 16.77 C ATOM 1241 CG GLU C 64 29.418 12.589 5.000 1.00 18.17 C ATOM 1242 CD GLU C 64 29.486 13.576 3.851 1.00 19.93 C ATOM 1243 OE1 GLU C 64 29.113 13.198 2.721 1.00 19.97 O ATOM 1244 OE2 GLU C 64 29.914 14.726 4.083 1.00 21.52 O ATOM 0 H GLU C 64 29.265 10.189 6.576 1.00 14.67 H new ATOM 0 HA GLU C 64 29.303 10.193 3.774 1.00 14.61 H new ATOM 0 HB2 GLU C 64 31.040 11.512 5.887 1.00 16.77 H new ATOM 0 HB3 GLU C 64 31.240 11.829 4.175 1.00 16.77 H new ATOM 0 HG2 GLU C 64 28.446 12.097 4.994 1.00 18.17 H new ATOM 0 HG3 GLU C 64 29.496 13.129 5.943 1.00 18.17 H new ATOM 1251 N LEU C 65 31.817 8.654 5.222 1.00 13.52 N ATOM 1252 CA LEU C 65 32.947 7.766 4.982 1.00 13.19 C ATOM 1253 C LEU C 65 32.500 6.509 4.242 1.00 12.87 C ATOM 1254 O LEU C 65 33.242 5.958 3.429 1.00 13.95 O ATOM 1255 CB LEU C 65 33.612 7.384 6.306 1.00 12.56 C ATOM 1256 CG LEU C 65 34.788 8.271 6.720 1.00 12.92 C ATOM 1257 CD1 LEU C 65 34.837 8.419 8.234 1.00 13.02 C ATOM 1258 CD2 LEU C 65 36.097 7.699 6.197 1.00 14.53 C ATOM 0 H LEU C 65 31.587 8.787 6.207 1.00 13.52 H new ATOM 0 HA LEU C 65 33.670 8.295 4.361 1.00 13.19 H new ATOM 0 HB2 LEU C 65 32.860 7.413 7.094 1.00 12.56 H new ATOM 0 HB3 LEU C 65 33.961 6.354 6.236 1.00 12.56 H new ATOM 0 HG LEU C 65 34.645 9.259 6.282 1.00 12.92 H new ATOM 0 HD11 LEU C 65 35.679 9.053 8.511 1.00 13.02 H new ATOM 0 HD12 LEU C 65 33.910 8.873 8.585 1.00 13.02 H new ATOM 0 HD13 LEU C 65 34.956 7.437 8.692 1.00 13.02 H new ATOM 0 HD21 LEU C 65 36.923 8.343 6.501 1.00 14.53 H new ATOM 0 HD22 LEU C 65 36.247 6.700 6.606 1.00 14.53 H new ATOM 0 HD23 LEU C 65 36.061 7.644 5.109 1.00 14.53 H new ATOM 1270 N VAL C 66 31.285 6.057 4.537 1.00 11.52 N ATOM 1271 CA VAL C 66 30.740 4.865 3.907 1.00 11.14 C ATOM 1272 C VAL C 66 30.156 5.172 2.532 1.00 10.54 C ATOM 1273 O VAL C 66 30.214 4.341 1.625 1.00 10.52 O ATOM 1274 CB VAL C 66 29.651 4.216 4.782 1.00 11.53 C ATOM 1275 CG1 VAL C 66 29.143 2.934 4.142 1.00 11.21 C ATOM 1276 CG2 VAL C 66 30.185 3.948 6.182 1.00 12.35 C ATOM 0 H VAL C 66 30.660 6.501 5.210 1.00 11.52 H new ATOM 0 HA VAL C 66 31.571 4.169 3.791 1.00 11.14 H new ATOM 0 HB VAL C 66 28.813 4.908 4.862 1.00 11.53 H new ATOM 0 HG11 VAL C 66 28.375 2.491 4.775 1.00 11.21 H new ATOM 0 HG12 VAL C 66 28.721 3.159 3.163 1.00 11.21 H new ATOM 0 HG13 VAL C 66 29.969 2.232 4.029 1.00 11.21 H new ATOM 0 HG21 VAL C 66 29.404 3.489 6.788 1.00 12.35 H new ATOM 0 HG22 VAL C 66 31.040 3.275 6.123 1.00 12.35 H new ATOM 0 HG23 VAL C 66 30.494 4.888 6.640 1.00 12.35 H new ATOM 1286 N LYS C 67 29.596 6.366 2.375 1.00 10.40 N ATOM 1287 CA LYS C 67 29.012 6.761 1.101 1.00 10.16 C ATOM 1288 C LYS C 67 30.111 7.076 0.089 1.00 9.82 C ATOM 1289 O LYS C 67 29.935 6.889 -1.115 1.00 9.87 O ATOM 1290 CB LYS C 67 28.077 7.966 1.285 1.00 12.30 C ATOM 1291 CG LYS C 67 28.784 9.314 1.300 1.00 14.95 C ATOM 1292 CD LYS C 67 27.803 10.455 1.512 1.00 16.64 C ATOM 1293 CE LYS C 67 27.204 10.922 0.195 1.00 17.97 C ATOM 1294 NZ LYS C 67 26.505 12.229 0.335 1.00 18.82 N ATOM 0 H LYS C 67 29.535 7.072 3.109 1.00 10.40 H new ATOM 0 HA LYS C 67 28.420 5.930 0.718 1.00 10.16 H new ATOM 0 HB2 LYS C 67 27.340 7.965 0.482 1.00 12.30 H new ATOM 0 HB3 LYS C 67 27.529 7.846 2.220 1.00 12.30 H new ATOM 0 HG2 LYS C 67 29.533 9.325 2.092 1.00 14.95 H new ATOM 0 HG3 LYS C 67 29.314 9.459 0.359 1.00 14.95 H new ATOM 0 HD2 LYS C 67 27.006 10.132 2.182 1.00 16.64 H new ATOM 0 HD3 LYS C 67 28.311 11.288 1.998 1.00 16.64 H new ATOM 0 HE2 LYS C 67 27.993 11.011 -0.552 1.00 17.97 H new ATOM 0 HE3 LYS C 67 26.502 10.172 -0.171 1.00 17.97 H new ATOM 0 HZ1 LYS C 67 26.515 12.727 -0.578 1.00 18.82 H new ATOM 0 HZ2 LYS C 67 25.521 12.067 0.630 1.00 18.82 H new ATOM 0 HZ3 LYS C 67 26.990 12.807 1.050 1.00 18.82 H new ATOM 1308 N LYS C 68 31.247 7.548 0.593 1.00 9.63 N ATOM 1309 CA LYS C 68 32.381 7.882 -0.258 1.00 9.62 C ATOM 1310 C LYS C 68 33.074 6.615 -0.742 1.00 8.27 C ATOM 1311 O LYS C 68 33.413 6.492 -1.919 1.00 9.00 O ATOM 1312 CB LYS C 68 33.374 8.767 0.500 1.00 11.88 C ATOM 1313 CG LYS C 68 34.530 9.256 -0.357 1.00 12.36 C ATOM 1314 CD LYS C 68 35.849 9.186 0.395 1.00 12.88 C ATOM 1315 CE LYS C 68 35.850 10.104 1.606 1.00 14.81 C ATOM 1316 NZ LYS C 68 37.043 9.885 2.469 1.00 16.11 N ATOM 0 H LYS C 68 31.406 7.708 1.588 1.00 9.63 H new ATOM 0 HA LYS C 68 32.011 8.431 -1.124 1.00 9.62 H new ATOM 0 HB2 LYS C 68 32.844 9.628 0.906 1.00 11.88 H new ATOM 0 HB3 LYS C 68 33.772 8.209 1.348 1.00 11.88 H new ATOM 0 HG2 LYS C 68 34.594 8.653 -1.263 1.00 12.36 H new ATOM 0 HG3 LYS C 68 34.343 10.283 -0.671 1.00 12.36 H new ATOM 0 HD2 LYS C 68 36.033 8.160 0.715 1.00 12.88 H new ATOM 0 HD3 LYS C 68 36.665 9.462 -0.273 1.00 12.88 H new ATOM 0 HE2 LYS C 68 35.828 11.142 1.274 1.00 14.81 H new ATOM 0 HE3 LYS C 68 34.945 9.936 2.189 1.00 14.81 H new ATOM 0 HZ1 LYS C 68 37.005 10.530 3.284 1.00 16.11 H new ATOM 0 HZ2 LYS C 68 37.051 8.901 2.807 1.00 16.11 H new ATOM 0 HZ3 LYS C 68 37.907 10.070 1.920 1.00 16.11 H new ATOM 1330 N MET C 69 33.273 5.668 0.171 1.00 6.89 N ATOM 1331 CA MET C 69 33.915 4.407 -0.172 1.00 6.11 C ATOM 1332 C MET C 69 33.067 3.641 -1.182 1.00 4.06 C ATOM 1333 O MET C 69 33.593 3.004 -2.095 1.00 4.58 O ATOM 1334 CB MET C 69 34.145 3.559 1.082 1.00 6.68 C ATOM 1335 CG MET C 69 32.873 2.967 1.662 1.00 4.70 C ATOM 1336 SD MET C 69 33.196 1.814 3.010 1.00 5.04 S ATOM 1337 CE MET C 69 31.847 0.656 2.794 1.00 5.81 C ATOM 0 H MET C 69 32.999 5.751 1.150 1.00 6.89 H new ATOM 0 HA MET C 69 34.884 4.624 -0.621 1.00 6.11 H new ATOM 0 HB2 MET C 69 34.834 2.750 0.841 1.00 6.68 H new ATOM 0 HB3 MET C 69 34.628 4.174 1.842 1.00 6.68 H new ATOM 0 HG2 MET C 69 32.234 3.773 2.023 1.00 4.70 H new ATOM 0 HG3 MET C 69 32.323 2.453 0.873 1.00 4.70 H new ATOM 0 HE1 MET C 69 31.384 0.452 3.760 1.00 5.81 H new ATOM 0 HE2 MET C 69 31.105 1.083 2.119 1.00 5.81 H new ATOM 0 HE3 MET C 69 32.229 -0.273 2.371 1.00 5.81 H new ATOM 1347 N VAL C 70 31.750 3.721 -1.017 1.00 2.36 N ATOM 1348 CA VAL C 70 30.825 3.051 -1.919 1.00 2.93 C ATOM 1349 C VAL C 70 30.820 3.740 -3.279 1.00 3.23 C ATOM 1350 O VAL C 70 30.782 3.083 -4.320 1.00 3.33 O ATOM 1351 CB VAL C 70 29.392 3.025 -1.333 1.00 4.55 C ATOM 1352 CG1 VAL C 70 28.363 2.591 -2.372 1.00 6.60 C ATOM 1353 CG2 VAL C 70 29.342 2.107 -0.125 1.00 4.06 C ATOM 0 H VAL C 70 31.301 4.244 -0.265 1.00 2.36 H new ATOM 0 HA VAL C 70 31.162 2.022 -2.041 1.00 2.93 H new ATOM 0 HB VAL C 70 29.139 4.040 -1.026 1.00 4.55 H new ATOM 0 HG11 VAL C 70 27.371 2.586 -1.921 1.00 6.60 H new ATOM 0 HG12 VAL C 70 28.377 3.287 -3.211 1.00 6.60 H new ATOM 0 HG13 VAL C 70 28.605 1.590 -2.728 1.00 6.60 H new ATOM 0 HG21 VAL C 70 28.330 2.095 0.281 1.00 4.06 H new ATOM 0 HG22 VAL C 70 29.626 1.098 -0.423 1.00 4.06 H new ATOM 0 HG23 VAL C 70 30.034 2.469 0.636 1.00 4.06 H new ATOM 1363 N PHE C 71 30.869 5.068 -3.263 1.00 4.25 N ATOM 1364 CA PHE C 71 30.881 5.839 -4.496 1.00 5.69 C ATOM 1365 C PHE C 71 32.014 5.367 -5.400 1.00 6.80 C ATOM 1366 O PHE C 71 31.780 4.923 -6.521 1.00 8.15 O ATOM 1367 CB PHE C 71 31.030 7.334 -4.194 1.00 5.75 C ATOM 1368 CG PHE C 71 31.276 8.169 -5.418 1.00 5.29 C ATOM 1369 CD1 PHE C 71 30.241 8.420 -6.330 1.00 5.47 C ATOM 1370 CD2 PHE C 71 32.547 8.702 -5.672 1.00 5.49 C ATOM 1371 CE1 PHE C 71 30.470 9.191 -7.473 1.00 5.31 C ATOM 1372 CE2 PHE C 71 32.782 9.471 -6.815 1.00 5.69 C ATOM 1373 CZ PHE C 71 31.742 9.716 -7.716 1.00 5.33 C ATOM 0 H PHE C 71 30.901 5.629 -2.412 1.00 4.25 H new ATOM 0 HA PHE C 71 29.933 5.684 -5.011 1.00 5.69 H new ATOM 0 HB2 PHE C 71 30.127 7.688 -3.697 1.00 5.75 H new ATOM 0 HB3 PHE C 71 31.855 7.475 -3.495 1.00 5.75 H new ATOM 0 HD1 PHE C 71 29.257 8.014 -6.147 1.00 5.47 H new ATOM 0 HD2 PHE C 71 33.353 8.517 -4.977 1.00 5.49 H new ATOM 0 HE1 PHE C 71 29.665 9.381 -8.167 1.00 5.31 H new ATOM 0 HE2 PHE C 71 33.766 9.875 -7.002 1.00 5.69 H new ATOM 0 HZ PHE C 71 31.921 10.311 -8.599 1.00 5.33 H new ATOM 1383 N ASP C 72 33.243 5.463 -4.902 1.00 6.34 N ATOM 1384 CA ASP C 72 34.410 5.039 -5.665 1.00 7.52 C ATOM 1385 C ASP C 72 34.235 3.607 -6.157 1.00 8.80 C ATOM 1386 O ASP C 72 34.490 3.305 -7.323 1.00 10.03 O ATOM 1387 CB ASP C 72 35.674 5.147 -4.810 1.00 6.53 C ATOM 1388 CG ASP C 72 36.184 6.571 -4.710 1.00 5.64 C ATOM 1389 OD1 ASP C 72 35.571 7.465 -5.330 1.00 6.08 O ATOM 1390 OD2 ASP C 72 37.198 6.791 -4.015 1.00 4.80 O ATOM 0 H ASP C 72 33.456 5.830 -3.974 1.00 6.34 H new ATOM 0 HA ASP C 72 34.512 5.696 -6.529 1.00 7.52 H new ATOM 0 HB2 ASP C 72 35.466 4.767 -3.810 1.00 6.53 H new ATOM 0 HB3 ASP C 72 36.453 4.514 -5.236 1.00 6.53 H new ATOM 1395 N THR C 73 33.790 2.729 -5.264 1.00 8.96 N ATOM 1396 CA THR C 73 33.573 1.332 -5.614 1.00 10.23 C ATOM 1397 C THR C 73 32.528 1.222 -6.719 1.00 12.49 C ATOM 1398 O THR C 73 32.847 0.885 -7.858 1.00 14.48 O ATOM 1399 CB THR C 73 33.128 0.534 -4.381 1.00 8.74 C ATOM 1400 OG1 THR C 73 34.202 0.379 -3.472 1.00 8.59 O ATOM 1401 CG2 THR C 73 32.600 -0.852 -4.706 1.00 7.78 C ATOM 0 H THR C 73 33.573 2.961 -4.295 1.00 8.96 H new ATOM 0 HA THR C 73 34.512 0.915 -5.977 1.00 10.23 H new ATOM 0 HB THR C 73 32.316 1.116 -3.946 1.00 8.74 H new ATOM 0 HG1 THR C 73 33.944 -0.247 -2.764 1.00 8.59 H new ATOM 0 HG21 THR C 73 32.305 -1.354 -3.785 1.00 7.78 H new ATOM 0 HG22 THR C 73 31.736 -0.767 -5.365 1.00 7.78 H new ATOM 0 HG23 THR C 73 33.379 -1.431 -5.202 1.00 7.78 H new ATOM 1409 N LEU C 74 31.278 1.513 -6.372 1.00 12.49 N ATOM 1410 CA LEU C 74 30.189 1.448 -7.337 1.00 14.86 C ATOM 1411 C LEU C 74 30.528 2.238 -8.595 1.00 15.33 C ATOM 1412 O LEU C 74 30.160 1.846 -9.703 1.00 16.86 O ATOM 1413 CB LEU C 74 28.899 1.977 -6.712 1.00 15.96 C ATOM 1414 CG LEU C 74 28.318 1.104 -5.598 1.00 14.82 C ATOM 1415 CD1 LEU C 74 26.878 1.492 -5.323 1.00 17.04 C ATOM 1416 CD2 LEU C 74 28.415 -0.371 -5.965 1.00 14.07 C ATOM 0 H LEU C 74 30.996 1.795 -5.433 1.00 12.49 H new ATOM 0 HA LEU C 74 30.045 0.405 -7.619 1.00 14.86 H new ATOM 0 HB2 LEU C 74 29.088 2.973 -6.312 1.00 15.96 H new ATOM 0 HB3 LEU C 74 28.150 2.086 -7.497 1.00 15.96 H new ATOM 0 HG LEU C 74 28.901 1.267 -4.691 1.00 14.82 H new ATOM 0 HD11 LEU C 74 26.477 0.863 -4.528 1.00 17.04 H new ATOM 0 HD12 LEU C 74 26.835 2.537 -5.015 1.00 17.04 H new ATOM 0 HD13 LEU C 74 26.285 1.356 -6.228 1.00 17.04 H new ATOM 0 HD21 LEU C 74 27.996 -0.975 -5.160 1.00 14.07 H new ATOM 0 HD22 LEU C 74 27.858 -0.555 -6.884 1.00 14.07 H new ATOM 0 HD23 LEU C 74 29.460 -0.641 -6.115 1.00 14.07 H new ATOM 1428 N LYS C 75 31.237 3.346 -8.418 1.00 14.09 N ATOM 1429 CA LYS C 75 31.635 4.183 -9.542 1.00 14.57 C ATOM 1430 C LYS C 75 32.408 3.360 -10.563 1.00 13.72 C ATOM 1431 O LYS C 75 31.928 3.107 -11.668 1.00 14.34 O ATOM 1432 CB LYS C 75 32.497 5.352 -9.058 1.00 13.74 C ATOM 1433 CG LYS C 75 33.066 6.199 -10.183 1.00 13.45 C ATOM 1434 CD LYS C 75 33.687 7.481 -9.654 1.00 13.75 C ATOM 1435 CE LYS C 75 35.101 7.674 -10.180 1.00 14.67 C ATOM 1436 NZ LYS C 75 35.279 9.007 -10.819 1.00 17.14 N ATOM 0 H LYS C 75 31.548 3.685 -7.508 1.00 14.09 H new ATOM 0 HA LYS C 75 30.735 4.580 -10.012 1.00 14.57 H new ATOM 0 HB2 LYS C 75 31.899 5.987 -8.404 1.00 13.74 H new ATOM 0 HB3 LYS C 75 33.319 4.962 -8.458 1.00 13.74 H new ATOM 0 HG2 LYS C 75 33.818 5.627 -10.727 1.00 13.45 H new ATOM 0 HG3 LYS C 75 32.275 6.442 -10.893 1.00 13.45 H new ATOM 0 HD2 LYS C 75 33.071 8.332 -9.944 1.00 13.75 H new ATOM 0 HD3 LYS C 75 33.703 7.456 -8.564 1.00 13.75 H new ATOM 0 HE2 LYS C 75 35.811 7.567 -9.360 1.00 14.67 H new ATOM 0 HE3 LYS C 75 35.329 6.891 -10.903 1.00 14.67 H new ATOM 0 HZ1 LYS C 75 36.256 9.099 -11.164 1.00 17.14 H new ATOM 0 HZ2 LYS C 75 34.619 9.100 -11.618 1.00 17.14 H new ATOM 0 HZ3 LYS C 75 35.086 9.755 -10.122 1.00 17.14 H new ATOM 1450 N ASP C 76 33.604 2.939 -10.176 1.00 12.51 N ATOM 1451 CA ASP C 76 34.450 2.133 -11.047 1.00 12.03 C ATOM 1452 C ASP C 76 33.787 0.795 -11.359 1.00 13.86 C ATOM 1453 O ASP C 76 33.980 0.232 -12.437 1.00 14.66 O ATOM 1454 CB ASP C 76 35.816 1.903 -10.400 1.00 10.10 C ATOM 1455 CG ASP C 76 36.954 2.017 -11.395 1.00 11.78 C ATOM 1456 OD1 ASP C 76 37.156 3.121 -11.943 1.00 13.13 O ATOM 1457 OD2 ASP C 76 37.643 1.001 -11.629 1.00 12.27 O ATOM 0 H ASP C 76 34.011 3.142 -9.263 1.00 12.51 H new ATOM 0 HA ASP C 76 34.589 2.676 -11.982 1.00 12.03 H new ATOM 0 HB2 ASP C 76 35.963 2.629 -9.600 1.00 10.10 H new ATOM 0 HB3 ASP C 76 35.836 0.914 -9.941 1.00 10.10 H new ATOM 1462 N LEU C 77 33.002 0.288 -10.409 1.00 14.73 N ATOM 1463 CA LEU C 77 32.311 -0.982 -10.589 1.00 16.80 C ATOM 1464 C LEU C 77 31.289 -0.880 -11.718 1.00 18.66 C ATOM 1465 O LEU C 77 31.217 -1.750 -12.586 1.00 20.35 O ATOM 1466 CB LEU C 77 31.632 -1.400 -9.278 1.00 17.27 C ATOM 1467 CG LEU C 77 30.508 -2.433 -9.408 1.00 17.98 C ATOM 1468 CD1 LEU C 77 30.907 -3.539 -10.373 1.00 16.87 C ATOM 1469 CD2 LEU C 77 30.154 -3.010 -8.046 1.00 18.28 C ATOM 0 H LEU C 77 32.831 0.738 -9.510 1.00 14.73 H new ATOM 0 HA LEU C 77 33.041 -1.744 -10.862 1.00 16.80 H new ATOM 0 HB2 LEU C 77 32.393 -1.802 -8.609 1.00 17.27 H new ATOM 0 HB3 LEU C 77 31.226 -0.508 -8.801 1.00 17.27 H new ATOM 0 HG LEU C 77 29.626 -1.933 -9.808 1.00 17.98 H new ATOM 0 HD11 LEU C 77 30.096 -4.263 -10.452 1.00 16.87 H new ATOM 0 HD12 LEU C 77 31.108 -3.110 -11.355 1.00 16.87 H new ATOM 0 HD13 LEU C 77 31.804 -4.037 -10.005 1.00 16.87 H new ATOM 0 HD21 LEU C 77 29.354 -3.742 -8.158 1.00 18.28 H new ATOM 0 HD22 LEU C 77 31.031 -3.494 -7.617 1.00 18.28 H new ATOM 0 HD23 LEU C 77 29.823 -2.208 -7.386 1.00 18.28 H new ATOM 1481 N TYR C 78 30.506 0.194 -11.705 1.00 18.59 N ATOM 1482 CA TYR C 78 29.497 0.412 -12.733 1.00 20.47 C ATOM 1483 C TYR C 78 30.153 0.771 -14.063 1.00 22.15 C ATOM 1484 O TYR C 78 29.566 0.578 -15.127 1.00 23.50 O ATOM 1485 CB TYR C 78 28.531 1.521 -12.308 1.00 21.10 C ATOM 1486 CG TYR C 78 27.677 1.166 -11.109 1.00 20.81 C ATOM 1487 CD1 TYR C 78 27.354 -0.173 -10.817 1.00 21.25 C ATOM 1488 CD2 TYR C 78 27.182 2.169 -10.258 1.00 20.37 C ATOM 1489 CE1 TYR C 78 26.564 -0.498 -9.712 1.00 21.47 C ATOM 1490 CE2 TYR C 78 26.390 1.850 -9.151 1.00 20.65 C ATOM 1491 CZ TYR C 78 26.085 0.516 -8.882 1.00 21.31 C ATOM 1492 OH TYR C 78 25.305 0.198 -7.794 1.00 22.02 O ATOM 0 H TYR C 78 30.551 0.925 -10.995 1.00 18.59 H new ATOM 0 HA TYR C 78 28.935 -0.513 -12.860 1.00 20.47 H new ATOM 0 HB2 TYR C 78 29.103 2.420 -12.080 1.00 21.10 H new ATOM 0 HB3 TYR C 78 27.879 1.762 -13.147 1.00 21.10 H new ATOM 0 HD1 TYR C 78 27.723 -0.961 -11.457 1.00 21.25 H new ATOM 0 HD2 TYR C 78 27.417 3.203 -10.463 1.00 20.37 H new ATOM 0 HE1 TYR C 78 26.325 -1.530 -9.501 1.00 21.47 H new ATOM 0 HE2 TYR C 78 26.016 2.633 -8.507 1.00 20.65 H new ATOM 0 HH TYR C 78 24.362 0.348 -8.013 1.00 22.02 H new ATOM 1502 N LYS C 79 31.377 1.287 -13.996 1.00 22.13 N ATOM 1503 CA LYS C 79 32.113 1.661 -15.197 1.00 23.78 C ATOM 1504 C LYS C 79 32.626 0.419 -15.917 1.00 23.91 C ATOM 1505 O LYS C 79 32.782 0.417 -17.139 1.00 24.58 O ATOM 1506 CB LYS C 79 33.283 2.580 -14.839 1.00 23.53 C ATOM 1507 CG LYS C 79 33.956 3.208 -16.049 1.00 24.83 C ATOM 1508 CD LYS C 79 33.464 4.627 -16.289 1.00 27.07 C ATOM 1509 CE LYS C 79 34.367 5.652 -15.621 1.00 27.06 C ATOM 1510 NZ LYS C 79 35.482 6.074 -16.514 1.00 28.61 N ATOM 0 H LYS C 79 31.878 1.455 -13.124 1.00 22.13 H new ATOM 0 HA LYS C 79 31.436 2.196 -15.863 1.00 23.78 H new ATOM 0 HB2 LYS C 79 32.924 3.372 -14.182 1.00 23.53 H new ATOM 0 HB3 LYS C 79 34.023 2.010 -14.277 1.00 23.53 H new ATOM 0 HG2 LYS C 79 35.036 3.217 -15.902 1.00 24.83 H new ATOM 0 HG3 LYS C 79 33.760 2.600 -16.932 1.00 24.83 H new ATOM 0 HD2 LYS C 79 33.422 4.822 -17.361 1.00 27.07 H new ATOM 0 HD3 LYS C 79 32.449 4.731 -15.906 1.00 27.07 H new ATOM 0 HE2 LYS C 79 33.779 6.525 -15.338 1.00 27.06 H new ATOM 0 HE3 LYS C 79 34.776 5.232 -14.702 1.00 27.06 H new ATOM 0 HZ1 LYS C 79 36.075 6.773 -16.023 1.00 28.61 H new ATOM 0 HZ2 LYS C 79 36.059 5.246 -16.764 1.00 28.61 H new ATOM 0 HZ3 LYS C 79 35.092 6.499 -17.380 1.00 28.61 H new ATOM 1524 N LYS C 80 32.885 -0.638 -15.151 1.00 23.44 N ATOM 1525 CA LYS C 80 33.376 -1.888 -15.715 1.00 23.54 C ATOM 1526 C LYS C 80 32.304 -2.555 -16.571 1.00 26.19 C ATOM 1527 O LYS C 80 32.603 -3.158 -17.601 1.00 26.99 O ATOM 1528 CB LYS C 80 33.818 -2.837 -14.599 1.00 21.37 C ATOM 1529 CG LYS C 80 35.320 -2.852 -14.372 1.00 18.96 C ATOM 1530 CD LYS C 80 35.851 -4.270 -14.256 1.00 19.37 C ATOM 1531 CE LYS C 80 37.365 -4.289 -14.129 1.00 17.44 C ATOM 1532 NZ LYS C 80 38.031 -4.412 -15.454 1.00 18.17 N ATOM 0 H LYS C 80 32.762 -0.652 -14.138 1.00 23.44 H new ATOM 0 HA LYS C 80 34.233 -1.661 -16.349 1.00 23.54 H new ATOM 0 HB2 LYS C 80 33.322 -2.550 -13.672 1.00 21.37 H new ATOM 0 HB3 LYS C 80 33.485 -3.847 -14.839 1.00 21.37 H new ATOM 0 HG2 LYS C 80 35.819 -2.342 -15.196 1.00 18.96 H new ATOM 0 HG3 LYS C 80 35.557 -2.298 -13.464 1.00 18.96 H new ATOM 0 HD2 LYS C 80 35.406 -4.756 -13.388 1.00 19.37 H new ATOM 0 HD3 LYS C 80 35.551 -4.845 -15.132 1.00 19.37 H new ATOM 0 HE2 LYS C 80 37.700 -3.375 -13.638 1.00 17.44 H new ATOM 0 HE3 LYS C 80 37.666 -5.121 -13.493 1.00 17.44 H new ATOM 0 HZ1 LYS C 80 39.063 -4.421 -15.324 1.00 18.17 H new ATOM 0 HZ2 LYS C 80 37.732 -5.296 -15.912 1.00 18.17 H new ATOM 0 HZ3 LYS C 80 37.765 -3.604 -16.053 1.00 18.17 H new ATOM 1546 N THR C 81 31.054 -2.440 -16.136 1.00 27.60 N ATOM 1547 CA THR C 81 29.934 -3.031 -16.861 1.00 30.26 C ATOM 1548 C THR C 81 29.802 -2.421 -18.251 1.00 31.93 C ATOM 1549 O THR C 81 29.916 -3.117 -19.260 1.00 32.48 O ATOM 1550 CB THR C 81 28.634 -2.834 -16.078 1.00 31.73 C ATOM 1551 OG1 THR C 81 28.719 -1.692 -15.245 1.00 30.68 O ATOM 1552 CG2 THR C 81 28.278 -4.015 -15.203 1.00 31.77 C ATOM 0 H THR C 81 30.790 -1.943 -15.285 1.00 27.60 H new ATOM 0 HA THR C 81 30.127 -4.098 -16.971 1.00 30.26 H new ATOM 0 HB THR C 81 27.857 -2.715 -16.833 1.00 31.73 H new ATOM 0 HG1 THR C 81 29.093 -0.943 -15.754 1.00 30.68 H new ATOM 0 HG21 THR C 81 27.346 -3.810 -14.676 1.00 31.77 H new ATOM 0 HG22 THR C 81 28.156 -4.903 -15.823 1.00 31.77 H new ATOM 0 HG23 THR C 81 29.075 -4.184 -14.479 1.00 31.77 H new ATOM 1616 N ASP D 54 26.625 7.298 -16.948 1.00 35.40 N ATOM 1617 CA ASP D 54 25.616 6.996 -15.939 1.00 33.16 C ATOM 1618 C ASP D 54 26.210 6.181 -14.795 1.00 32.68 C ATOM 1619 O ASP D 54 25.693 6.195 -13.678 1.00 32.40 O ATOM 1620 CB ASP D 54 24.448 6.236 -16.568 1.00 33.20 C ATOM 1621 CG ASP D 54 23.576 7.126 -17.431 1.00 32.27 C ATOM 1622 OD1 ASP D 54 23.968 7.406 -18.583 1.00 32.22 O ATOM 1623 OD2 ASP D 54 22.500 7.545 -16.952 1.00 31.65 O ATOM 0 HA ASP D 54 25.252 7.941 -15.534 1.00 33.16 H new ATOM 0 HB2 ASP D 54 24.835 5.416 -17.172 1.00 33.20 H new ATOM 0 HB3 ASP D 54 23.841 5.792 -15.779 1.00 33.20 H new ATOM 1628 N ALA D 55 27.299 5.474 -15.078 1.00 32.60 N ATOM 1629 CA ALA D 55 27.960 4.655 -14.069 1.00 32.15 C ATOM 1630 C ALA D 55 28.250 5.470 -12.815 1.00 30.45 C ATOM 1631 O ALA D 55 28.040 5.005 -11.696 1.00 29.36 O ATOM 1632 CB ALA D 55 29.245 4.065 -14.627 1.00 33.53 C ATOM 0 H ALA D 55 27.742 5.452 -15.997 1.00 32.60 H new ATOM 0 HA ALA D 55 27.290 3.839 -13.797 1.00 32.15 H new ATOM 0 HB1 ALA D 55 29.728 3.456 -13.863 1.00 33.53 H new ATOM 0 HB2 ALA D 55 29.014 3.445 -15.493 1.00 33.53 H new ATOM 0 HB3 ALA D 55 29.916 4.871 -14.926 1.00 33.53 H new ATOM 1638 N GLU D 56 28.727 6.694 -13.012 1.00 30.26 N ATOM 1639 CA GLU D 56 29.039 7.580 -11.897 1.00 28.76 C ATOM 1640 C GLU D 56 27.760 8.078 -11.236 1.00 27.33 C ATOM 1641 O GLU D 56 27.612 8.013 -10.016 1.00 27.50 O ATOM 1642 CB GLU D 56 29.879 8.765 -12.374 1.00 29.19 C ATOM 1643 CG GLU D 56 30.374 9.653 -11.245 1.00 29.97 C ATOM 1644 CD GLU D 56 30.197 11.129 -11.542 1.00 29.47 C ATOM 1645 OE1 GLU D 56 29.038 11.573 -11.674 1.00 29.12 O ATOM 1646 OE2 GLU D 56 31.220 11.840 -11.644 1.00 29.47 O ATOM 0 H GLU D 56 28.906 7.095 -13.933 1.00 30.26 H new ATOM 0 HA GLU D 56 29.614 7.016 -11.163 1.00 28.76 H new ATOM 0 HB2 GLU D 56 30.736 8.390 -12.933 1.00 29.19 H new ATOM 0 HB3 GLU D 56 29.286 9.365 -13.064 1.00 29.19 H new ATOM 0 HG2 GLU D 56 29.837 9.404 -10.330 1.00 29.97 H new ATOM 0 HG3 GLU D 56 31.429 9.447 -11.062 1.00 29.97 H new ATOM 1653 N ARG D 57 26.833 8.572 -12.051 1.00 26.02 N ATOM 1654 CA ARG D 57 25.562 9.073 -11.547 1.00 24.70 C ATOM 1655 C ARG D 57 24.861 8.008 -10.714 1.00 22.06 C ATOM 1656 O ARG D 57 24.195 8.315 -9.724 1.00 20.94 O ATOM 1657 CB ARG D 57 24.662 9.505 -12.706 1.00 25.36 C ATOM 1658 CG ARG D 57 25.272 10.588 -13.581 1.00 26.97 C ATOM 1659 CD ARG D 57 24.266 11.683 -13.893 1.00 27.68 C ATOM 1660 NE ARG D 57 24.469 12.251 -15.223 1.00 30.23 N ATOM 1661 CZ ARG D 57 24.252 11.581 -16.349 1.00 30.89 C ATOM 1662 NH1 ARG D 57 23.835 10.323 -16.305 1.00 29.22 N ATOM 1663 NH2 ARG D 57 24.452 12.167 -17.522 1.00 33.30 N ATOM 0 H ARG D 57 26.940 8.635 -13.063 1.00 26.02 H new ATOM 0 HA ARG D 57 25.762 9.938 -10.914 1.00 24.70 H new ATOM 0 HB2 ARG D 57 24.437 8.635 -13.323 1.00 25.36 H new ATOM 0 HB3 ARG D 57 23.715 9.865 -12.304 1.00 25.36 H new ATOM 0 HG2 ARG D 57 26.137 11.020 -13.078 1.00 26.97 H new ATOM 0 HG3 ARG D 57 25.631 10.147 -14.511 1.00 26.97 H new ATOM 0 HD2 ARG D 57 23.256 11.278 -13.822 1.00 27.68 H new ATOM 0 HD3 ARG D 57 24.346 12.472 -13.146 1.00 27.68 H new ATOM 0 HE ARG D 57 24.795 13.215 -15.291 1.00 30.23 H new ATOM 0 HH11 ARG D 57 23.680 9.868 -15.405 1.00 29.22 H new ATOM 0 HH12 ARG D 57 23.669 9.810 -17.171 1.00 29.22 H new ATOM 0 HH21 ARG D 57 24.773 13.134 -17.561 1.00 33.30 H new ATOM 0 HH22 ARG D 57 24.285 11.650 -18.385 1.00 33.30 H new ATOM 1677 N LEU D 58 25.019 6.754 -11.120 1.00 21.16 N ATOM 1678 CA LEU D 58 24.407 5.637 -10.414 1.00 18.83 C ATOM 1679 C LEU D 58 24.997 5.493 -9.018 1.00 17.27 C ATOM 1680 O LEU D 58 24.286 5.595 -8.019 1.00 16.30 O ATOM 1681 CB LEU D 58 24.605 4.340 -11.199 1.00 19.48 C ATOM 1682 CG LEU D 58 23.545 4.056 -12.264 1.00 20.34 C ATOM 1683 CD1 LEU D 58 24.100 3.132 -13.336 1.00 20.71 C ATOM 1684 CD2 LEU D 58 22.302 3.453 -11.630 1.00 19.97 C ATOM 0 H LEU D 58 25.568 6.486 -11.937 1.00 21.16 H new ATOM 0 HA LEU D 58 23.340 5.837 -10.321 1.00 18.83 H new ATOM 0 HB2 LEU D 58 25.582 4.371 -11.681 1.00 19.48 H new ATOM 0 HB3 LEU D 58 24.623 3.507 -10.496 1.00 19.48 H new ATOM 0 HG LEU D 58 23.268 4.999 -12.734 1.00 20.34 H new ATOM 0 HD11 LEU D 58 23.332 2.941 -14.085 1.00 20.71 H new ATOM 0 HD12 LEU D 58 24.961 3.602 -13.811 1.00 20.71 H new ATOM 0 HD13 LEU D 58 24.406 2.190 -12.881 1.00 20.71 H new ATOM 0 HD21 LEU D 58 21.558 3.257 -12.402 1.00 19.97 H new ATOM 0 HD22 LEU D 58 22.564 2.519 -11.133 1.00 19.97 H new ATOM 0 HD23 LEU D 58 21.892 4.150 -10.899 1.00 19.97 H new ATOM 1696 N ALA D 59 26.304 5.260 -8.961 1.00 17.27 N ATOM 1697 CA ALA D 59 27.006 5.102 -7.690 1.00 16.17 C ATOM 1698 C ALA D 59 26.603 6.190 -6.702 1.00 16.25 C ATOM 1699 O ALA D 59 26.563 5.961 -5.492 1.00 17.05 O ATOM 1700 CB ALA D 59 28.510 5.120 -7.915 1.00 16.94 C ATOM 0 H ALA D 59 26.902 5.176 -9.783 1.00 17.27 H new ATOM 0 HA ALA D 59 26.725 4.139 -7.263 1.00 16.17 H new ATOM 0 HB1 ALA D 59 29.022 5.001 -6.960 1.00 16.94 H new ATOM 0 HB2 ALA D 59 28.788 4.302 -8.580 1.00 16.94 H new ATOM 0 HB3 ALA D 59 28.799 6.069 -8.366 1.00 16.94 H new ATOM 1706 N ASP D 60 26.301 7.372 -7.226 1.00 15.76 N ATOM 1707 CA ASP D 60 25.893 8.494 -6.390 1.00 16.47 C ATOM 1708 C ASP D 60 24.563 8.196 -5.710 1.00 14.91 C ATOM 1709 O ASP D 60 24.393 8.450 -4.517 1.00 15.50 O ATOM 1710 CB ASP D 60 25.782 9.770 -7.226 1.00 16.97 C ATOM 1711 CG ASP D 60 25.508 10.996 -6.376 1.00 17.43 C ATOM 1712 OD1 ASP D 60 24.898 10.845 -5.296 1.00 15.94 O ATOM 1713 OD2 ASP D 60 25.901 12.106 -6.790 1.00 19.42 O ATOM 0 H ASP D 60 26.331 7.578 -8.225 1.00 15.76 H new ATOM 0 HA ASP D 60 26.652 8.644 -5.622 1.00 16.47 H new ATOM 0 HB2 ASP D 60 26.707 9.917 -7.784 1.00 16.97 H new ATOM 0 HB3 ASP D 60 24.983 9.653 -7.958 1.00 16.97 H new ATOM 1718 N GLU D 61 23.624 7.650 -6.475 1.00 13.37 N ATOM 1719 CA GLU D 61 22.312 7.309 -5.945 1.00 12.11 C ATOM 1720 C GLU D 61 22.427 6.194 -4.911 1.00 11.80 C ATOM 1721 O GLU D 61 21.696 6.171 -3.922 1.00 12.06 O ATOM 1722 CB GLU D 61 21.374 6.882 -7.075 1.00 10.28 C ATOM 1723 CG GLU D 61 21.335 7.863 -8.235 1.00 10.40 C ATOM 1724 CD GLU D 61 20.742 9.203 -7.844 1.00 9.64 C ATOM 1725 OE1 GLU D 61 19.977 9.249 -6.857 1.00 7.94 O ATOM 1726 OE2 GLU D 61 21.044 10.207 -8.524 1.00 10.98 O ATOM 0 H GLU D 61 23.749 7.435 -7.464 1.00 13.37 H new ATOM 0 HA GLU D 61 21.898 8.193 -5.461 1.00 12.11 H new ATOM 0 HB2 GLU D 61 21.686 5.906 -7.446 1.00 10.28 H new ATOM 0 HB3 GLU D 61 20.367 6.764 -6.675 1.00 10.28 H new ATOM 0 HG2 GLU D 61 22.346 8.013 -8.613 1.00 10.40 H new ATOM 0 HG3 GLU D 61 20.751 7.435 -9.049 1.00 10.40 H new ATOM 1733 N GLN D 62 23.361 5.277 -5.148 1.00 11.60 N ATOM 1734 CA GLN D 62 23.585 4.160 -4.238 1.00 11.50 C ATOM 1735 C GLN D 62 24.209 4.649 -2.935 1.00 11.39 C ATOM 1736 O GLN D 62 23.774 4.271 -1.846 1.00 11.35 O ATOM 1737 CB GLN D 62 24.500 3.120 -4.886 1.00 11.61 C ATOM 1738 CG GLN D 62 24.310 2.982 -6.388 1.00 13.31 C ATOM 1739 CD GLN D 62 22.849 2.953 -6.794 1.00 12.45 C ATOM 1740 OE1 GLN D 62 21.959 2.880 -5.949 1.00 12.42 O ATOM 1741 NE2 GLN D 62 22.598 3.009 -8.097 1.00 12.12 N ATOM 0 H GLN D 62 23.974 5.286 -5.963 1.00 11.60 H new ATOM 0 HA GLN D 62 22.621 3.701 -4.019 1.00 11.50 H new ATOM 0 HB2 GLN D 62 25.537 3.387 -4.684 1.00 11.61 H new ATOM 0 HB3 GLN D 62 24.323 2.152 -4.417 1.00 11.61 H new ATOM 0 HG2 GLN D 62 24.806 3.813 -6.890 1.00 13.31 H new ATOM 0 HG3 GLN D 62 24.796 2.068 -6.729 1.00 13.31 H new ATOM 0 HE21 GLN D 62 23.369 3.069 -8.763 1.00 12.12 H new ATOM 0 HE22 GLN D 62 21.635 2.992 -8.432 1.00 12.12 H new ATOM 1750 N SER D 63 25.230 5.493 -3.056 1.00 11.42 N ATOM 1751 CA SER D 63 25.914 6.036 -1.889 1.00 11.44 C ATOM 1752 C SER D 63 24.931 6.766 -0.981 1.00 9.87 C ATOM 1753 O SER D 63 24.752 6.397 0.179 1.00 7.90 O ATOM 1754 CB SER D 63 27.030 6.988 -2.323 1.00 14.19 C ATOM 1755 OG SER D 63 26.752 7.556 -3.591 1.00 15.48 O ATOM 0 H SER D 63 25.601 5.815 -3.950 1.00 11.42 H new ATOM 0 HA SER D 63 26.352 5.207 -1.333 1.00 11.44 H new ATOM 0 HB2 SER D 63 27.144 7.780 -1.583 1.00 14.19 H new ATOM 0 HB3 SER D 63 27.977 6.449 -2.362 1.00 14.19 H new ATOM 0 HG SER D 63 27.081 6.960 -4.296 1.00 15.48 H new ATOM 1761 N GLU D 64 24.291 7.801 -1.518 1.00 11.16 N ATOM 1762 CA GLU D 64 23.322 8.575 -0.757 1.00 10.60 C ATOM 1763 C GLU D 64 22.295 7.653 -0.110 1.00 8.61 C ATOM 1764 O GLU D 64 21.802 7.924 0.986 1.00 9.14 O ATOM 1765 CB GLU D 64 22.627 9.587 -1.668 1.00 13.02 C ATOM 1766 CG GLU D 64 21.636 8.960 -2.635 1.00 13.78 C ATOM 1767 CD GLU D 64 20.749 9.990 -3.308 1.00 15.40 C ATOM 1768 OE1 GLU D 64 19.782 10.451 -2.665 1.00 15.89 O ATOM 1769 OE2 GLU D 64 21.021 10.334 -4.477 1.00 16.27 O ATOM 0 H GLU D 64 24.428 8.121 -2.477 1.00 11.16 H new ATOM 0 HA GLU D 64 23.847 9.114 0.032 1.00 10.60 H new ATOM 0 HB2 GLU D 64 22.106 10.319 -1.051 1.00 13.02 H new ATOM 0 HB3 GLU D 64 23.382 10.129 -2.237 1.00 13.02 H new ATOM 0 HG2 GLU D 64 22.180 8.401 -3.396 1.00 13.78 H new ATOM 0 HG3 GLU D 64 21.013 8.244 -2.098 1.00 13.78 H new ATOM 1776 N LEU D 65 21.984 6.556 -0.794 1.00 6.81 N ATOM 1777 CA LEU D 65 21.026 5.585 -0.286 1.00 5.28 C ATOM 1778 C LEU D 65 21.590 4.871 0.937 1.00 4.95 C ATOM 1779 O LEU D 65 20.927 4.769 1.970 1.00 4.86 O ATOM 1780 CB LEU D 65 20.673 4.564 -1.371 1.00 6.44 C ATOM 1781 CG LEU D 65 19.186 4.471 -1.717 1.00 7.29 C ATOM 1782 CD1 LEU D 65 18.997 4.221 -3.205 1.00 7.97 C ATOM 1783 CD2 LEU D 65 18.519 3.372 -0.904 1.00 6.50 C ATOM 0 H LEU D 65 22.383 6.319 -1.702 1.00 6.81 H new ATOM 0 HA LEU D 65 20.120 6.117 0.004 1.00 5.28 H new ATOM 0 HB2 LEU D 65 21.226 4.814 -2.277 1.00 6.44 H new ATOM 0 HB3 LEU D 65 21.017 3.581 -1.049 1.00 6.44 H new ATOM 0 HG LEU D 65 18.715 5.421 -1.466 1.00 7.29 H new ATOM 0 HD11 LEU D 65 17.933 4.158 -3.431 1.00 7.97 H new ATOM 0 HD12 LEU D 65 19.440 5.040 -3.771 1.00 7.97 H new ATOM 0 HD13 LEU D 65 19.483 3.285 -3.481 1.00 7.97 H new ATOM 0 HD21 LEU D 65 17.461 3.319 -1.162 1.00 6.50 H new ATOM 0 HD22 LEU D 65 18.995 2.416 -1.125 1.00 6.50 H new ATOM 0 HD23 LEU D 65 18.622 3.592 0.159 1.00 6.50 H new ATOM 1795 N VAL D 66 22.821 4.382 0.815 1.00 5.68 N ATOM 1796 CA VAL D 66 23.474 3.682 1.911 1.00 6.01 C ATOM 1797 C VAL D 66 23.700 4.613 3.097 1.00 7.14 C ATOM 1798 O VAL D 66 23.655 4.188 4.251 1.00 7.66 O ATOM 1799 CB VAL D 66 24.827 3.089 1.475 1.00 7.23 C ATOM 1800 CG1 VAL D 66 25.415 2.232 2.585 1.00 7.82 C ATOM 1801 CG2 VAL D 66 24.669 2.283 0.195 1.00 7.96 C ATOM 0 H VAL D 66 23.384 4.459 -0.032 1.00 5.68 H new ATOM 0 HA VAL D 66 22.810 2.870 2.208 1.00 6.01 H new ATOM 0 HB VAL D 66 25.517 3.909 1.277 1.00 7.23 H new ATOM 0 HG11 VAL D 66 26.371 1.821 2.260 1.00 7.82 H new ATOM 0 HG12 VAL D 66 25.567 2.843 3.475 1.00 7.82 H new ATOM 0 HG13 VAL D 66 24.730 1.417 2.817 1.00 7.82 H new ATOM 0 HG21 VAL D 66 25.635 1.872 -0.098 1.00 7.96 H new ATOM 0 HG22 VAL D 66 23.964 1.469 0.362 1.00 7.96 H new ATOM 0 HG23 VAL D 66 24.295 2.930 -0.598 1.00 7.96 H new ATOM 1811 N LYS D 67 23.940 5.886 2.802 1.00 8.41 N ATOM 1812 CA LYS D 67 24.172 6.881 3.842 1.00 10.14 C ATOM 1813 C LYS D 67 22.971 6.980 4.777 1.00 9.97 C ATOM 1814 O LYS D 67 23.087 6.739 5.978 1.00 10.93 O ATOM 1815 CB LYS D 67 24.460 8.246 3.217 1.00 12.47 C ATOM 1816 CG LYS D 67 24.705 9.345 4.237 1.00 15.00 C ATOM 1817 CD LYS D 67 23.949 10.615 3.880 1.00 17.23 C ATOM 1818 CE LYS D 67 24.884 11.808 3.769 1.00 19.45 C ATOM 1819 NZ LYS D 67 24.172 13.094 4.004 1.00 20.49 N ATOM 0 H LYS D 67 23.979 6.253 1.851 1.00 8.41 H new ATOM 0 HA LYS D 67 25.038 6.566 4.424 1.00 10.14 H new ATOM 0 HB2 LYS D 67 25.333 8.162 2.569 1.00 12.47 H new ATOM 0 HB3 LYS D 67 23.619 8.531 2.584 1.00 12.47 H new ATOM 0 HG2 LYS D 67 24.396 9.002 5.224 1.00 15.00 H new ATOM 0 HG3 LYS D 67 25.772 9.559 4.293 1.00 15.00 H new ATOM 0 HD2 LYS D 67 23.424 10.474 2.935 1.00 17.23 H new ATOM 0 HD3 LYS D 67 23.192 10.814 4.638 1.00 17.23 H new ATOM 0 HE2 LYS D 67 25.693 11.704 4.492 1.00 19.45 H new ATOM 0 HE3 LYS D 67 25.340 11.821 2.779 1.00 19.45 H new ATOM 0 HZ1 LYS D 67 24.844 13.883 3.920 1.00 20.49 H new ATOM 0 HZ2 LYS D 67 23.416 13.206 3.299 1.00 20.49 H new ATOM 0 HZ3 LYS D 67 23.758 13.092 4.958 1.00 20.49 H new ATOM 1833 N LYS D 68 21.818 7.332 4.218 1.00 9.47 N ATOM 1834 CA LYS D 68 20.598 7.457 5.006 1.00 9.88 C ATOM 1835 C LYS D 68 20.329 6.176 5.788 1.00 9.10 C ATOM 1836 O LYS D 68 19.816 6.216 6.907 1.00 9.07 O ATOM 1837 CB LYS D 68 19.408 7.778 4.099 1.00 9.27 C ATOM 1838 CG LYS D 68 18.135 8.106 4.864 1.00 10.05 C ATOM 1839 CD LYS D 68 16.961 8.326 3.923 1.00 11.49 C ATOM 1840 CE LYS D 68 15.721 7.589 4.403 1.00 13.18 C ATOM 1841 NZ LYS D 68 14.502 8.003 3.655 1.00 14.27 N ATOM 0 H LYS D 68 21.703 7.535 3.225 1.00 9.47 H new ATOM 0 HA LYS D 68 20.732 8.275 5.714 1.00 9.88 H new ATOM 0 HB2 LYS D 68 19.666 8.622 3.459 1.00 9.27 H new ATOM 0 HB3 LYS D 68 19.220 6.927 3.444 1.00 9.27 H new ATOM 0 HG2 LYS D 68 17.903 7.293 5.553 1.00 10.05 H new ATOM 0 HG3 LYS D 68 18.292 9.000 5.467 1.00 10.05 H new ATOM 0 HD2 LYS D 68 16.747 9.392 3.849 1.00 11.49 H new ATOM 0 HD3 LYS D 68 17.225 7.984 2.922 1.00 11.49 H new ATOM 0 HE2 LYS D 68 15.870 6.515 4.288 1.00 13.18 H new ATOM 0 HE3 LYS D 68 15.576 7.778 5.467 1.00 13.18 H new ATOM 0 HZ1 LYS D 68 13.679 7.477 4.013 1.00 14.27 H new ATOM 0 HZ2 LYS D 68 14.344 9.023 3.785 1.00 14.27 H new ATOM 0 HZ3 LYS D 68 14.630 7.799 2.643 1.00 14.27 H new ATOM 1855 N MET D 69 20.686 5.043 5.193 1.00 8.91 N ATOM 1856 CA MET D 69 20.492 3.748 5.834 1.00 9.05 C ATOM 1857 C MET D 69 21.363 3.631 7.079 1.00 10.38 C ATOM 1858 O MET D 69 20.888 3.260 8.154 1.00 11.97 O ATOM 1859 CB MET D 69 20.822 2.620 4.853 1.00 7.26 C ATOM 1860 CG MET D 69 20.727 1.232 5.464 1.00 8.20 C ATOM 1861 SD MET D 69 21.372 -0.050 4.373 1.00 7.45 S ATOM 1862 CE MET D 69 23.081 0.464 4.219 1.00 4.73 C ATOM 0 H MET D 69 21.112 4.995 4.267 1.00 8.91 H new ATOM 0 HA MET D 69 19.447 3.663 6.133 1.00 9.05 H new ATOM 0 HB2 MET D 69 20.143 2.680 4.002 1.00 7.26 H new ATOM 0 HB3 MET D 69 21.830 2.769 4.467 1.00 7.26 H new ATOM 0 HG2 MET D 69 21.277 1.214 6.405 1.00 8.20 H new ATOM 0 HG3 MET D 69 19.686 1.013 5.700 1.00 8.20 H new ATOM 0 HE1 MET D 69 23.697 -0.396 3.957 1.00 4.73 H new ATOM 0 HE2 MET D 69 23.164 1.221 3.439 1.00 4.73 H new ATOM 0 HE3 MET D 69 23.423 0.880 5.167 1.00 4.73 H new ATOM 1872 N VAL D 70 22.643 3.955 6.926 1.00 9.78 N ATOM 1873 CA VAL D 70 23.585 3.893 8.035 1.00 10.97 C ATOM 1874 C VAL D 70 23.374 5.058 8.997 1.00 13.09 C ATOM 1875 O VAL D 70 23.715 4.971 10.177 1.00 13.97 O ATOM 1876 CB VAL D 70 25.042 3.902 7.531 1.00 9.17 C ATOM 1877 CG1 VAL D 70 26.019 3.884 8.698 1.00 7.83 C ATOM 1878 CG2 VAL D 70 25.286 2.722 6.604 1.00 8.59 C ATOM 0 H VAL D 70 23.051 4.263 6.043 1.00 9.78 H new ATOM 0 HA VAL D 70 23.401 2.957 8.563 1.00 10.97 H new ATOM 0 HB VAL D 70 25.207 4.822 6.970 1.00 9.17 H new ATOM 0 HG11 VAL D 70 27.040 3.891 8.318 1.00 7.83 H new ATOM 0 HG12 VAL D 70 25.858 4.764 9.321 1.00 7.83 H new ATOM 0 HG13 VAL D 70 25.859 2.984 9.292 1.00 7.83 H new ATOM 0 HG21 VAL D 70 26.319 2.741 6.255 1.00 8.59 H new ATOM 0 HG22 VAL D 70 25.101 1.792 7.142 1.00 8.59 H new ATOM 0 HG23 VAL D 70 24.613 2.786 5.749 1.00 8.59 H new ATOM 1888 N PHE D 71 22.803 6.147 8.488 1.00 14.34 N ATOM 1889 CA PHE D 71 22.542 7.324 9.308 1.00 16.70 C ATOM 1890 C PHE D 71 21.586 6.983 10.444 1.00 18.63 C ATOM 1891 O PHE D 71 21.794 7.387 11.588 1.00 19.81 O ATOM 1892 CB PHE D 71 21.959 8.450 8.453 1.00 17.77 C ATOM 1893 CG PHE D 71 21.823 9.754 9.188 1.00 18.41 C ATOM 1894 CD1 PHE D 71 22.927 10.327 9.834 1.00 17.28 C ATOM 1895 CD2 PHE D 71 20.590 10.420 9.238 1.00 20.32 C ATOM 1896 CE1 PHE D 71 22.804 11.540 10.518 1.00 18.19 C ATOM 1897 CE2 PHE D 71 20.461 11.634 9.921 1.00 21.12 C ATOM 1898 CZ PHE D 71 21.570 12.193 10.562 1.00 20.11 C ATOM 0 H PHE D 71 22.513 6.238 7.514 1.00 14.34 H new ATOM 0 HA PHE D 71 23.487 7.660 9.736 1.00 16.70 H new ATOM 0 HB2 PHE D 71 22.595 8.599 7.580 1.00 17.77 H new ATOM 0 HB3 PHE D 71 20.979 8.146 8.085 1.00 17.77 H new ATOM 0 HD1 PHE D 71 23.883 9.826 9.803 1.00 17.28 H new ATOM 0 HD2 PHE D 71 19.731 9.991 8.744 1.00 20.32 H new ATOM 0 HE1 PHE D 71 23.662 11.972 11.012 1.00 18.19 H new ATOM 0 HE2 PHE D 71 19.506 12.138 9.953 1.00 21.12 H new ATOM 0 HZ PHE D 71 21.473 13.129 11.091 1.00 20.11 H new ATOM 1908 N ASP D 72 20.538 6.231 10.120 1.00 19.24 N ATOM 1909 CA ASP D 72 19.552 5.830 11.114 1.00 21.23 C ATOM 1910 C ASP D 72 20.156 4.842 12.105 1.00 20.19 C ATOM 1911 O ASP D 72 19.940 4.947 13.312 1.00 19.80 O ATOM 1912 CB ASP D 72 18.330 5.208 10.433 1.00 22.50 C ATOM 1913 CG ASP D 72 17.254 6.231 10.129 1.00 24.30 C ATOM 1914 OD1 ASP D 72 17.604 7.398 9.857 1.00 24.66 O ATOM 1915 OD2 ASP D 72 16.060 5.864 10.162 1.00 25.38 O ATOM 0 H ASP D 72 20.351 5.888 9.178 1.00 19.24 H new ATOM 0 HA ASP D 72 19.238 6.720 11.659 1.00 21.23 H new ATOM 0 HB2 ASP D 72 18.641 4.725 9.506 1.00 22.50 H new ATOM 0 HB3 ASP D 72 17.917 4.430 11.075 1.00 22.50 H new ATOM 1920 N THR D 73 20.916 3.881 11.586 1.00 19.79 N ATOM 1921 CA THR D 73 21.554 2.877 12.429 1.00 18.78 C ATOM 1922 C THR D 73 22.460 3.535 13.465 1.00 19.61 C ATOM 1923 O THR D 73 22.311 3.312 14.666 1.00 20.29 O ATOM 1924 CB THR D 73 22.363 1.898 11.577 1.00 16.33 C ATOM 1925 OG1 THR D 73 21.533 1.266 10.619 1.00 16.20 O ATOM 1926 CG2 THR D 73 23.037 0.813 12.389 1.00 16.46 C ATOM 0 H THR D 73 21.104 3.777 10.589 1.00 19.79 H new ATOM 0 HA THR D 73 20.770 2.328 12.951 1.00 18.78 H new ATOM 0 HB THR D 73 23.134 2.500 11.097 1.00 16.33 H new ATOM 0 HG1 THR D 73 21.363 1.882 9.876 1.00 16.20 H new ATOM 0 HG21 THR D 73 23.594 0.153 11.724 1.00 16.46 H new ATOM 0 HG22 THR D 73 23.721 1.267 13.106 1.00 16.46 H new ATOM 0 HG23 THR D 73 22.282 0.236 12.923 1.00 16.46 H new ATOM 1934 N LEU D 74 23.398 4.350 12.990 1.00 19.70 N ATOM 1935 CA LEU D 74 24.325 5.043 13.877 1.00 20.74 C ATOM 1936 C LEU D 74 23.568 5.829 14.942 1.00 23.49 C ATOM 1937 O LEU D 74 23.946 5.828 16.114 1.00 24.79 O ATOM 1938 CB LEU D 74 25.225 5.984 13.074 1.00 19.72 C ATOM 1939 CG LEU D 74 26.230 5.290 12.154 1.00 18.77 C ATOM 1940 CD1 LEU D 74 26.871 6.293 11.208 1.00 19.93 C ATOM 1941 CD2 LEU D 74 27.293 4.573 12.974 1.00 17.23 C ATOM 0 H LEU D 74 23.535 4.546 11.998 1.00 19.70 H new ATOM 0 HA LEU D 74 24.945 4.296 14.373 1.00 20.74 H new ATOM 0 HB2 LEU D 74 24.595 6.638 12.471 1.00 19.72 H new ATOM 0 HB3 LEU D 74 25.772 6.621 13.770 1.00 19.72 H new ATOM 0 HG LEU D 74 25.697 4.550 11.557 1.00 18.77 H new ATOM 0 HD11 LEU D 74 27.583 5.780 10.562 1.00 19.93 H new ATOM 0 HD12 LEU D 74 26.099 6.762 10.598 1.00 19.93 H new ATOM 0 HD13 LEU D 74 27.391 7.057 11.786 1.00 19.93 H new ATOM 0 HD21 LEU D 74 28.001 4.084 12.304 1.00 17.23 H new ATOM 0 HD22 LEU D 74 27.822 5.295 13.596 1.00 17.23 H new ATOM 0 HD23 LEU D 74 26.819 3.825 13.610 1.00 17.23 H new ATOM 1953 N LYS D 75 22.494 6.495 14.527 1.00 24.44 N ATOM 1954 CA LYS D 75 21.681 7.281 15.447 1.00 27.10 C ATOM 1955 C LYS D 75 21.296 6.455 16.668 1.00 28.38 C ATOM 1956 O LYS D 75 21.334 6.941 17.799 1.00 30.39 O ATOM 1957 CB LYS D 75 20.421 7.787 14.741 1.00 27.59 C ATOM 1958 CG LYS D 75 19.821 9.028 15.383 1.00 27.82 C ATOM 1959 CD LYS D 75 19.946 10.239 14.473 1.00 27.48 C ATOM 1960 CE LYS D 75 18.918 10.204 13.355 1.00 28.69 C ATOM 1961 NZ LYS D 75 17.583 10.678 13.813 1.00 29.75 N ATOM 0 H LYS D 75 22.168 6.505 13.561 1.00 24.44 H new ATOM 0 HA LYS D 75 22.271 8.136 15.778 1.00 27.10 H new ATOM 0 HB2 LYS D 75 20.661 8.006 13.700 1.00 27.59 H new ATOM 0 HB3 LYS D 75 19.674 6.993 14.736 1.00 27.59 H new ATOM 0 HG2 LYS D 75 18.770 8.849 15.611 1.00 27.82 H new ATOM 0 HG3 LYS D 75 20.323 9.229 16.329 1.00 27.82 H new ATOM 0 HD2 LYS D 75 19.818 11.150 15.058 1.00 27.48 H new ATOM 0 HD3 LYS D 75 20.948 10.273 14.046 1.00 27.48 H new ATOM 0 HE2 LYS D 75 19.260 10.826 12.528 1.00 28.69 H new ATOM 0 HE3 LYS D 75 18.831 9.187 12.974 1.00 28.69 H new ATOM 0 HZ1 LYS D 75 16.910 10.639 13.021 1.00 29.75 H new ATOM 0 HZ2 LYS D 75 17.245 10.069 14.585 1.00 29.75 H new ATOM 0 HZ3 LYS D 75 17.660 11.658 14.153 1.00 29.75 H new ATOM 1975 N ASP D 76 20.926 5.203 16.430 1.00 27.47 N ATOM 1976 CA ASP D 76 20.535 4.301 17.503 1.00 28.93 C ATOM 1977 C ASP D 76 21.760 3.723 18.206 1.00 28.93 C ATOM 1978 O ASP D 76 21.688 3.315 19.365 1.00 30.79 O ATOM 1979 CB ASP D 76 19.664 3.170 16.953 1.00 28.20 C ATOM 1980 CG ASP D 76 18.407 3.685 16.280 1.00 27.83 C ATOM 1981 OD1 ASP D 76 18.307 4.911 16.066 1.00 28.07 O ATOM 1982 OD2 ASP D 76 17.522 2.862 15.967 1.00 27.42 O ATOM 0 H ASP D 76 20.889 4.789 15.499 1.00 27.47 H new ATOM 0 HA ASP D 76 19.960 4.872 18.232 1.00 28.93 H new ATOM 0 HB2 ASP D 76 20.242 2.584 16.238 1.00 28.20 H new ATOM 0 HB3 ASP D 76 19.389 2.499 17.766 1.00 28.20 H new ATOM 1987 N LEU D 77 22.883 3.690 17.494 1.00 26.90 N ATOM 1988 CA LEU D 77 24.125 3.160 18.044 1.00 26.65 C ATOM 1989 C LEU D 77 24.677 4.075 19.132 1.00 28.57 C ATOM 1990 O LEU D 77 25.261 3.611 20.111 1.00 29.23 O ATOM 1991 CB LEU D 77 25.161 2.990 16.932 1.00 24.56 C ATOM 1992 CG LEU D 77 25.009 1.722 16.091 1.00 24.32 C ATOM 1993 CD1 LEU D 77 26.010 1.718 14.946 1.00 22.61 C ATOM 1994 CD2 LEU D 77 25.181 0.483 16.958 1.00 25.96 C ATOM 0 H LEU D 77 22.957 4.025 16.533 1.00 26.90 H new ATOM 0 HA LEU D 77 23.911 2.188 18.490 1.00 26.65 H new ATOM 0 HB2 LEU D 77 25.106 3.855 16.271 1.00 24.56 H new ATOM 0 HB3 LEU D 77 26.155 2.993 17.379 1.00 24.56 H new ATOM 0 HG LEU D 77 24.005 1.708 15.668 1.00 24.32 H new ATOM 0 HD11 LEU D 77 25.887 0.808 14.358 1.00 22.61 H new ATOM 0 HD12 LEU D 77 25.839 2.587 14.310 1.00 22.61 H new ATOM 0 HD13 LEU D 77 27.023 1.756 15.348 1.00 22.61 H new ATOM 0 HD21 LEU D 77 25.070 -0.410 16.343 1.00 25.96 H new ATOM 0 HD22 LEU D 77 26.173 0.490 17.411 1.00 25.96 H new ATOM 0 HD23 LEU D 77 24.424 0.480 17.742 1.00 25.96 H new ATOM 2006 N TYR D 78 24.495 5.380 18.952 1.00 29.59 N ATOM 2007 CA TYR D 78 24.980 6.360 19.916 1.00 31.56 C ATOM 2008 C TYR D 78 24.022 6.493 21.095 1.00 33.53 C ATOM 2009 O TYR D 78 24.405 6.285 22.246 1.00 34.48 O ATOM 2010 CB TYR D 78 25.164 7.719 19.239 1.00 31.70 C ATOM 2011 CG TYR D 78 26.494 7.873 18.537 1.00 31.45 C ATOM 2012 CD1 TYR D 78 27.677 8.077 19.270 1.00 31.35 C ATOM 2013 CD2 TYR D 78 26.581 7.817 17.135 1.00 31.44 C ATOM 2014 CE1 TYR D 78 28.908 8.222 18.625 1.00 31.26 C ATOM 2015 CE2 TYR D 78 27.809 7.959 16.483 1.00 31.24 C ATOM 2016 CZ TYR D 78 28.968 8.162 17.232 1.00 31.15 C ATOM 2017 OH TYR D 78 30.179 8.304 16.593 1.00 31.11 O ATOM 0 H TYR D 78 24.015 5.782 18.147 1.00 29.59 H new ATOM 0 HA TYR D 78 25.941 6.013 20.294 1.00 31.56 H new ATOM 0 HB2 TYR D 78 24.362 7.866 18.516 1.00 31.70 H new ATOM 0 HB3 TYR D 78 25.065 8.505 19.988 1.00 31.70 H new ATOM 0 HD1 TYR D 78 27.633 8.122 20.348 1.00 31.35 H new ATOM 0 HD2 TYR D 78 25.685 7.662 16.553 1.00 31.44 H new ATOM 0 HE1 TYR D 78 29.808 8.380 19.201 1.00 31.26 H new ATOM 0 HE2 TYR D 78 27.860 7.912 15.405 1.00 31.24 H new ATOM 0 HH TYR D 78 30.048 8.236 15.624 1.00 31.11 H new ATOM 2027 N LYS D 79 22.773 6.845 20.801 1.00 34.27 N ATOM 2028 CA LYS D 79 21.759 7.010 21.837 1.00 36.25 C ATOM 2029 C LYS D 79 21.745 5.814 22.784 1.00 37.85 C ATOM 2030 O LYS D 79 21.373 5.939 23.951 1.00 38.84 O ATOM 2031 CB LYS D 79 20.377 7.190 21.205 1.00 36.04 C ATOM 2032 CG LYS D 79 19.836 5.926 20.558 1.00 35.18 C ATOM 2033 CD LYS D 79 18.596 6.214 19.725 1.00 36.53 C ATOM 2034 CE LYS D 79 17.653 5.022 19.700 1.00 36.35 C ATOM 2035 NZ LYS D 79 16.238 5.428 19.919 1.00 38.66 N ATOM 0 H LYS D 79 22.439 7.021 19.853 1.00 34.27 H new ATOM 0 HA LYS D 79 22.008 7.902 22.412 1.00 36.25 H new ATOM 0 HB2 LYS D 79 19.677 7.525 21.971 1.00 36.04 H new ATOM 0 HB3 LYS D 79 20.430 7.979 20.455 1.00 36.04 H new ATOM 0 HG2 LYS D 79 20.605 5.481 19.926 1.00 35.18 H new ATOM 0 HG3 LYS D 79 19.596 5.195 21.330 1.00 35.18 H new ATOM 0 HD2 LYS D 79 18.077 7.082 20.132 1.00 36.53 H new ATOM 0 HD3 LYS D 79 18.891 6.467 18.707 1.00 36.53 H new ATOM 0 HE2 LYS D 79 17.740 4.511 18.741 1.00 36.35 H new ATOM 0 HE3 LYS D 79 17.949 4.309 20.469 1.00 36.35 H new ATOM 0 HZ1 LYS D 79 15.628 4.586 19.895 1.00 38.66 H new ATOM 0 HZ2 LYS D 79 16.150 5.893 20.845 1.00 38.66 H new ATOM 0 HZ3 LYS D 79 15.947 6.089 19.171 1.00 38.66 H new