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: C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 73 THR OG1 : rot 88:sc= 0.604 USER MOD Set 2.2: D 62 GLN : amide:sc= -3.6! C(o=-3!,f=-8.9!) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: B 62 GLN : amide:sc= -3.84! C(o=-3.2!,f=-9.1!) USER MOD Set 4.2: D 73 THR OG1 : rot 88:sc= 0.627 USER MOD Set 5.1: A 69 MET CE :methyl 146:sc= -1.06 (180deg=-2.24) USER MOD Set 5.2: A 73 THR OG1 : rot 85:sc= 0.918 USER MOD Set 5.3: C 69 MET CE :methyl 153:sc= -0.587 (180deg=-2.11) USER MOD Set 5.4: C 73 THR OG1 : rot 80:sc= 1 USER MOD Single : A 62 GLN : amide:sc= -0.84 K(o=-0.84,f=-2.8!) USER MOD Single : A 63 SER OG : rot -34:sc= -1.53 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 -130:sc= -7.62! 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 -130:sc= -1.47! USER MOD Single : B 63 SER OG : rot -90:sc= -0.237 USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -142:sc= -7.22! (180deg=-12.6!) USER MOD Single : B 75 LYS NZ :NH3+ -152:sc=-0.00315 (180deg=-0.143) USER MOD Single : B 78 TYR OH : rot 180:sc= -0.517 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.817 K(o=-0.82,f=-2.7!) USER MOD Single : C 63 SER OG : rot -35:sc= -1.87 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 -130:sc= -7.23! 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 -140:sc= -1.45! USER MOD Single : D 63 SER OG : rot -96:sc= -0.194 USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl -143:sc= -7.05! (180deg=-12.3!) USER MOD Single : D 75 LYS NZ :NH3+ -151:sc= -0.0197 (180deg=-0.142) USER MOD Single : D 78 TYR OH : rot 180:sc= -0.444 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.143 -11.887 -17.313 1.00 31.18 N ATOM 54 CA ALA A 55 24.831 -10.578 -16.755 1.00 28.94 C ATOM 55 C ALA A 55 24.051 -10.726 -15.455 1.00 26.84 C ATOM 56 O ALA A 55 24.230 -9.947 -14.519 1.00 24.99 O ATOM 57 CB ALA A 55 24.049 -9.746 -17.759 1.00 28.86 C ATOM 0 HA ALA A 55 25.766 -10.062 -16.536 1.00 28.94 H new ATOM 0 HB1 ALA A 55 23.824 -8.771 -17.327 1.00 28.86 H new ATOM 0 HB2 ALA A 55 24.643 -9.614 -18.663 1.00 28.86 H new ATOM 0 HB3 ALA A 55 23.118 -10.256 -18.008 1.00 28.86 H new ATOM 63 N GLU A 56 23.193 -11.740 -15.402 1.00 27.26 N ATOM 64 CA GLU A 56 22.394 -12.004 -14.213 1.00 25.54 C ATOM 65 C GLU A 56 23.277 -12.539 -13.094 1.00 25.00 C ATOM 66 O GLU A 56 23.310 -11.989 -11.993 1.00 24.46 O ATOM 67 CB GLU A 56 21.282 -13.005 -14.528 1.00 26.60 C ATOM 68 CG GLU A 56 20.149 -12.997 -13.515 1.00 26.40 C ATOM 69 CD GLU A 56 19.267 -14.226 -13.616 1.00 26.53 C ATOM 70 OE1 GLU A 56 18.901 -14.602 -14.750 1.00 26.98 O ATOM 71 OE2 GLU A 56 18.943 -14.813 -12.562 1.00 26.29 O ATOM 0 H GLU A 56 23.034 -12.392 -16.170 1.00 27.26 H new ATOM 0 HA GLU A 56 21.939 -11.069 -13.887 1.00 25.54 H new ATOM 0 HB2 GLU A 56 20.876 -12.785 -15.516 1.00 26.60 H new ATOM 0 HB3 GLU A 56 21.709 -14.007 -14.574 1.00 26.60 H new ATOM 0 HG2 GLU A 56 20.566 -12.935 -12.510 1.00 26.40 H new ATOM 0 HG3 GLU A 56 19.541 -12.105 -13.663 1.00 26.40 H new ATOM 78 N ARG A 57 24.001 -13.611 -13.392 1.00 25.32 N ATOM 79 CA ARG A 57 24.899 -14.220 -12.420 1.00 24.92 C ATOM 80 C ARG A 57 25.969 -13.222 -11.994 1.00 24.86 C ATOM 81 O ARG A 57 26.326 -13.139 -10.819 1.00 24.86 O ATOM 82 CB ARG A 57 25.553 -15.472 -13.008 1.00 24.96 C ATOM 83 CG ARG A 57 24.708 -16.726 -12.867 1.00 25.00 C ATOM 84 CD ARG A 57 24.594 -17.473 -14.186 1.00 24.66 C ATOM 85 NE ARG A 57 25.817 -18.199 -14.514 1.00 26.37 N ATOM 86 CZ ARG A 57 26.232 -19.277 -13.857 1.00 27.06 C ATOM 87 NH1 ARG A 57 25.524 -19.751 -12.840 1.00 26.23 N ATOM 88 NH2 ARG A 57 27.356 -19.884 -14.215 1.00 28.77 N ATOM 0 H ARG A 57 23.983 -14.076 -14.300 1.00 25.32 H new ATOM 0 HA ARG A 57 24.317 -14.509 -11.545 1.00 24.92 H new ATOM 0 HB2 ARG A 57 25.760 -15.301 -14.064 1.00 24.96 H new ATOM 0 HB3 ARG A 57 26.513 -15.634 -12.517 1.00 24.96 H new ATOM 0 HG2 ARG A 57 25.148 -17.380 -12.114 1.00 25.00 H new ATOM 0 HG3 ARG A 57 23.713 -16.457 -12.513 1.00 25.00 H new ATOM 0 HD2 ARG A 57 23.760 -18.173 -14.135 1.00 24.66 H new ATOM 0 HD3 ARG A 57 24.368 -16.766 -14.984 1.00 24.66 H new ATOM 0 HE ARG A 57 26.385 -17.860 -15.291 1.00 26.37 H new ATOM 0 HH11 ARG A 57 24.659 -19.288 -12.561 1.00 26.23 H new ATOM 0 HH12 ARG A 57 25.845 -20.579 -12.337 1.00 26.23 H new ATOM 0 HH21 ARG A 57 27.904 -19.523 -14.996 1.00 28.77 H new ATOM 0 HH22 ARG A 57 27.672 -20.711 -13.709 1.00 28.77 H new ATOM 102 N LEU A 58 26.471 -12.462 -12.962 1.00 24.91 N ATOM 103 CA LEU A 58 27.496 -11.460 -12.695 1.00 24.99 C ATOM 104 C LEU A 58 26.976 -10.399 -11.731 1.00 23.47 C ATOM 105 O LEU A 58 27.599 -10.115 -10.707 1.00 22.74 O ATOM 106 CB LEU A 58 27.945 -10.797 -14.000 1.00 24.76 C ATOM 107 CG LEU A 58 28.992 -11.577 -14.797 1.00 24.98 C ATOM 108 CD1 LEU A 58 29.448 -10.775 -16.006 1.00 24.83 C ATOM 109 CD2 LEU A 58 30.177 -11.930 -13.913 1.00 24.85 C ATOM 0 H LEU A 58 26.184 -12.521 -13.939 1.00 24.91 H new ATOM 0 HA LEU A 58 28.349 -11.961 -12.237 1.00 24.99 H new ATOM 0 HB2 LEU A 58 27.070 -10.644 -14.632 1.00 24.76 H new ATOM 0 HB3 LEU A 58 28.347 -9.811 -13.769 1.00 24.76 H new ATOM 0 HG LEU A 58 28.538 -12.503 -15.151 1.00 24.98 H new ATOM 0 HD11 LEU A 58 30.193 -11.345 -16.561 1.00 24.83 H new ATOM 0 HD12 LEU A 58 28.593 -10.571 -16.650 1.00 24.83 H new ATOM 0 HD13 LEU A 58 29.886 -9.833 -15.674 1.00 24.83 H new ATOM 0 HD21 LEU A 58 30.913 -12.485 -14.495 1.00 24.85 H new ATOM 0 HD22 LEU A 58 30.631 -11.016 -13.531 1.00 24.85 H new ATOM 0 HD23 LEU A 58 29.838 -12.543 -13.078 1.00 24.85 H new ATOM 121 N ALA A 59 25.828 -9.816 -12.066 1.00 23.20 N ATOM 122 CA ALA A 59 25.219 -8.786 -11.234 1.00 21.87 C ATOM 123 C ALA A 59 25.152 -9.227 -9.777 1.00 22.07 C ATOM 124 O ALA A 59 25.212 -8.403 -8.864 1.00 21.62 O ATOM 125 CB ALA A 59 23.831 -8.445 -11.751 1.00 19.91 C ATOM 0 H ALA A 59 25.301 -10.041 -12.910 1.00 23.20 H new ATOM 0 HA ALA A 59 25.843 -7.894 -11.286 1.00 21.87 H new ATOM 0 HB1 ALA A 59 23.387 -7.674 -11.121 1.00 19.91 H new ATOM 0 HB2 ALA A 59 23.904 -8.079 -12.775 1.00 19.91 H new ATOM 0 HB3 ALA A 59 23.205 -9.337 -11.729 1.00 19.91 H new ATOM 131 N ASP A 60 25.030 -10.533 -9.563 1.00 23.05 N ATOM 132 CA ASP A 60 24.959 -11.084 -8.216 1.00 23.70 C ATOM 133 C ASP A 60 26.353 -11.219 -7.615 1.00 23.94 C ATOM 134 O ASP A 60 26.527 -11.146 -6.398 1.00 24.39 O ATOM 135 CB ASP A 60 24.262 -12.445 -8.231 1.00 25.47 C ATOM 136 CG ASP A 60 23.512 -12.724 -6.944 1.00 24.90 C ATOM 137 OD1 ASP A 60 24.167 -13.075 -5.940 1.00 25.29 O ATOM 138 OD2 ASP A 60 22.270 -12.588 -6.938 1.00 24.24 O ATOM 0 H ASP A 60 24.978 -11.229 -10.306 1.00 23.05 H new ATOM 0 HA ASP A 60 24.379 -10.398 -7.599 1.00 23.70 H new ATOM 0 HB2 ASP A 60 23.567 -12.485 -9.069 1.00 25.47 H new ATOM 0 HB3 ASP A 60 25.003 -13.228 -8.394 1.00 25.47 H new ATOM 143 N GLU A 61 27.346 -11.413 -8.477 1.00 23.75 N ATOM 144 CA GLU A 61 28.727 -11.555 -8.035 1.00 23.99 C ATOM 145 C GLU A 61 29.328 -10.194 -7.701 1.00 22.35 C ATOM 146 O GLU A 61 29.948 -10.015 -6.652 1.00 22.55 O ATOM 147 CB GLU A 61 29.563 -12.242 -9.117 1.00 24.81 C ATOM 148 CG GLU A 61 30.102 -13.599 -8.699 1.00 25.18 C ATOM 149 CD GLU A 61 30.571 -14.428 -9.879 1.00 26.79 C ATOM 150 OE1 GLU A 61 30.021 -14.249 -10.987 1.00 26.59 O ATOM 151 OE2 GLU A 61 31.489 -15.255 -9.697 1.00 28.43 O ATOM 0 H GLU A 61 27.219 -11.475 -9.487 1.00 23.75 H new ATOM 0 HA GLU A 61 28.735 -12.170 -7.135 1.00 23.99 H new ATOM 0 HB2 GLU A 61 28.954 -12.363 -10.013 1.00 24.81 H new ATOM 0 HB3 GLU A 61 30.399 -11.595 -9.384 1.00 24.81 H new ATOM 0 HG2 GLU A 61 30.931 -13.459 -8.006 1.00 25.18 H new ATOM 0 HG3 GLU A 61 29.326 -14.144 -8.162 1.00 25.18 H new ATOM 158 N GLN A 62 29.137 -9.240 -8.602 1.00 21.00 N ATOM 159 CA GLN A 62 29.655 -7.891 -8.411 1.00 19.56 C ATOM 160 C GLN A 62 29.087 -7.269 -7.141 1.00 17.58 C ATOM 161 O GLN A 62 29.818 -6.673 -6.349 1.00 17.65 O ATOM 162 CB GLN A 62 29.313 -7.016 -9.619 1.00 18.37 C ATOM 163 CG GLN A 62 29.799 -7.591 -10.940 1.00 19.98 C ATOM 164 CD GLN A 62 31.275 -7.936 -10.917 1.00 20.68 C ATOM 165 OE1 GLN A 62 32.026 -7.446 -10.073 1.00 19.97 O ATOM 166 NE2 GLN A 62 31.699 -8.783 -11.848 1.00 22.27 N ATOM 0 H GLN A 62 28.626 -9.375 -9.474 1.00 21.00 H new ATOM 0 HA GLN A 62 30.739 -7.953 -8.312 1.00 19.56 H new ATOM 0 HB2 GLN A 62 28.232 -6.881 -9.666 1.00 18.37 H new ATOM 0 HB3 GLN A 62 29.752 -6.028 -9.478 1.00 18.37 H new ATOM 0 HG2 GLN A 62 29.224 -8.486 -11.176 1.00 19.98 H new ATOM 0 HG3 GLN A 62 29.610 -6.872 -11.737 1.00 19.98 H new ATOM 0 HE21 GLN A 62 31.041 -9.165 -12.528 1.00 22.27 H new ATOM 0 HE22 GLN A 62 32.682 -9.052 -11.883 1.00 22.27 H new ATOM 175 N SER A 63 27.780 -7.414 -6.950 1.00 16.14 N ATOM 176 CA SER A 63 27.116 -6.870 -5.772 1.00 14.23 C ATOM 177 C SER A 63 27.659 -7.512 -4.501 1.00 13.00 C ATOM 178 O SER A 63 27.783 -6.857 -3.466 1.00 11.71 O ATOM 179 CB SER A 63 25.604 -7.088 -5.864 1.00 13.69 C ATOM 180 OG SER A 63 25.279 -8.461 -5.730 1.00 13.46 O ATOM 0 H SER A 63 27.160 -7.903 -7.596 1.00 16.14 H new ATOM 0 HA SER A 63 27.317 -5.799 -5.733 1.00 14.23 H new ATOM 0 HB2 SER A 63 25.102 -6.514 -5.085 1.00 13.69 H new ATOM 0 HB3 SER A 63 25.237 -6.716 -6.820 1.00 13.69 H new ATOM 0 HG SER A 63 25.989 -9.006 -6.129 1.00 13.46 H new ATOM 186 N GLU A 64 27.984 -8.798 -4.586 1.00 13.63 N ATOM 187 CA GLU A 64 28.519 -9.526 -3.442 1.00 13.02 C ATOM 188 C GLU A 64 29.796 -8.869 -2.932 1.00 12.93 C ATOM 189 O GLU A 64 30.028 -8.794 -1.726 1.00 13.24 O ATOM 190 CB GLU A 64 28.794 -10.983 -3.821 1.00 14.40 C ATOM 191 CG GLU A 64 28.850 -11.921 -2.627 1.00 16.61 C ATOM 192 CD GLU A 64 28.680 -13.375 -3.022 1.00 18.27 C ATOM 193 OE1 GLU A 64 27.827 -13.660 -3.889 1.00 17.51 O ATOM 194 OE2 GLU A 64 29.400 -14.230 -2.463 1.00 20.34 O ATOM 0 H GLU A 64 27.886 -9.356 -5.434 1.00 13.63 H new ATOM 0 HA GLU A 64 27.776 -9.501 -2.645 1.00 13.02 H new ATOM 0 HB2 GLU A 64 28.017 -11.325 -4.505 1.00 14.40 H new ATOM 0 HB3 GLU A 64 29.740 -11.037 -4.360 1.00 14.40 H new ATOM 0 HG2 GLU A 64 29.804 -11.796 -2.115 1.00 16.61 H new ATOM 0 HG3 GLU A 64 28.070 -11.647 -1.917 1.00 16.61 H new ATOM 201 N LEU A 65 30.621 -8.393 -3.859 1.00 12.89 N ATOM 202 CA LEU A 65 31.874 -7.738 -3.504 1.00 12.79 C ATOM 203 C LEU A 65 31.610 -6.458 -2.717 1.00 12.38 C ATOM 204 O LEU A 65 32.258 -6.195 -1.705 1.00 13.66 O ATOM 205 CB LEU A 65 32.685 -7.420 -4.761 1.00 12.13 C ATOM 206 CG LEU A 65 33.428 -8.611 -5.372 1.00 12.77 C ATOM 207 CD1 LEU A 65 33.303 -8.596 -6.888 1.00 13.46 C ATOM 208 CD2 LEU A 65 34.891 -8.595 -4.956 1.00 14.75 C ATOM 0 H LEU A 65 30.444 -8.449 -4.862 1.00 12.89 H new ATOM 0 HA LEU A 65 32.447 -8.420 -2.877 1.00 12.79 H new ATOM 0 HB2 LEU A 65 32.013 -7.006 -5.513 1.00 12.13 H new ATOM 0 HB3 LEU A 65 33.411 -6.644 -4.520 1.00 12.13 H new ATOM 0 HG LEU A 65 32.974 -9.529 -4.999 1.00 12.77 H new ATOM 0 HD11 LEU A 65 33.837 -9.450 -7.306 1.00 13.46 H new ATOM 0 HD12 LEU A 65 32.251 -8.654 -7.167 1.00 13.46 H new ATOM 0 HD13 LEU A 65 33.731 -7.673 -7.279 1.00 13.46 H new ATOM 0 HD21 LEU A 65 35.405 -9.448 -5.399 1.00 14.75 H new ATOM 0 HD22 LEU A 65 35.357 -7.672 -5.301 1.00 14.75 H new ATOM 0 HD23 LEU A 65 34.961 -8.653 -3.870 1.00 14.75 H new ATOM 220 N VAL A 66 30.653 -5.667 -3.192 1.00 10.67 N ATOM 221 CA VAL A 66 30.301 -4.416 -2.533 1.00 10.25 C ATOM 222 C VAL A 66 29.732 -4.672 -1.143 1.00 10.11 C ATOM 223 O VAL A 66 30.038 -3.952 -0.193 1.00 10.68 O ATOM 224 CB VAL A 66 29.274 -3.616 -3.358 1.00 10.41 C ATOM 225 CG1 VAL A 66 29.002 -2.268 -2.710 1.00 10.26 C ATOM 226 CG2 VAL A 66 29.760 -3.440 -4.788 1.00 10.73 C ATOM 0 H VAL A 66 30.108 -5.871 -4.030 1.00 10.67 H new ATOM 0 HA VAL A 66 31.218 -3.833 -2.447 1.00 10.25 H new ATOM 0 HB VAL A 66 28.339 -4.176 -3.382 1.00 10.41 H new ATOM 0 HG11 VAL A 66 28.275 -1.718 -3.307 1.00 10.26 H new ATOM 0 HG12 VAL A 66 28.607 -2.420 -1.706 1.00 10.26 H new ATOM 0 HG13 VAL A 66 29.929 -1.698 -2.652 1.00 10.26 H new ATOM 0 HG21 VAL A 66 29.022 -2.873 -5.356 1.00 10.73 H new ATOM 0 HG22 VAL A 66 30.708 -2.902 -4.786 1.00 10.73 H new ATOM 0 HG23 VAL A 66 29.898 -4.418 -5.248 1.00 10.73 H new ATOM 236 N LYS A 67 28.903 -5.705 -1.031 1.00 9.77 N ATOM 237 CA LYS A 67 28.291 -6.062 0.242 1.00 10.19 C ATOM 238 C LYS A 67 29.359 -6.383 1.283 1.00 10.29 C ATOM 239 O LYS A 67 29.344 -5.842 2.389 1.00 10.57 O ATOM 240 CB LYS A 67 27.354 -7.259 0.058 1.00 12.61 C ATOM 241 CG LYS A 67 26.831 -7.839 1.363 1.00 14.05 C ATOM 242 CD LYS A 67 26.231 -9.220 1.152 1.00 16.35 C ATOM 243 CE LYS A 67 26.281 -10.050 2.425 1.00 18.66 C ATOM 244 NZ LYS A 67 25.278 -11.150 2.410 1.00 19.72 N ATOM 0 H LYS A 67 28.640 -6.310 -1.809 1.00 9.77 H new ATOM 0 HA LYS A 67 27.711 -5.210 0.597 1.00 10.19 H new ATOM 0 HB2 LYS A 67 26.508 -6.954 -0.558 1.00 12.61 H new ATOM 0 HB3 LYS A 67 27.882 -8.040 -0.490 1.00 12.61 H new ATOM 0 HG2 LYS A 67 27.643 -7.900 2.088 1.00 14.05 H new ATOM 0 HG3 LYS A 67 26.077 -7.173 1.783 1.00 14.05 H new ATOM 0 HD2 LYS A 67 25.197 -9.122 0.821 1.00 16.35 H new ATOM 0 HD3 LYS A 67 26.772 -9.736 0.359 1.00 16.35 H new ATOM 0 HE2 LYS A 67 27.279 -10.471 2.545 1.00 18.66 H new ATOM 0 HE3 LYS A 67 26.101 -9.406 3.286 1.00 18.66 H new ATOM 0 HZ1 LYS A 67 25.344 -11.692 3.295 1.00 19.72 H new ATOM 0 HZ2 LYS A 67 24.323 -10.748 2.321 1.00 19.72 H new ATOM 0 HZ3 LYS A 67 25.465 -11.779 1.604 1.00 19.72 H new ATOM 258 N LYS A 68 30.287 -7.262 0.921 1.00 10.21 N ATOM 259 CA LYS A 68 31.364 -7.648 1.824 1.00 10.50 C ATOM 260 C LYS A 68 32.130 -6.419 2.298 1.00 8.64 C ATOM 261 O LYS A 68 32.538 -6.335 3.457 1.00 8.99 O ATOM 262 CB LYS A 68 32.316 -8.626 1.132 1.00 12.86 C ATOM 263 CG LYS A 68 32.510 -9.927 1.893 1.00 13.51 C ATOM 264 CD LYS A 68 33.866 -10.548 1.596 1.00 14.74 C ATOM 265 CE LYS A 68 33.937 -11.081 0.175 1.00 16.97 C ATOM 266 NZ LYS A 68 35.330 -11.430 -0.219 1.00 18.69 N ATOM 0 H LYS A 68 30.315 -7.720 0.010 1.00 10.21 H new ATOM 0 HA LYS A 68 30.924 -8.141 2.691 1.00 10.50 H new ATOM 0 HB2 LYS A 68 31.932 -8.851 0.137 1.00 12.86 H new ATOM 0 HB3 LYS A 68 33.285 -8.145 0.999 1.00 12.86 H new ATOM 0 HG2 LYS A 68 32.420 -9.741 2.963 1.00 13.51 H new ATOM 0 HG3 LYS A 68 31.720 -10.629 1.624 1.00 13.51 H new ATOM 0 HD2 LYS A 68 34.648 -9.804 1.746 1.00 14.74 H new ATOM 0 HD3 LYS A 68 34.058 -11.358 2.299 1.00 14.74 H new ATOM 0 HE2 LYS A 68 33.303 -11.963 0.086 1.00 16.97 H new ATOM 0 HE3 LYS A 68 33.542 -10.334 -0.513 1.00 16.97 H new ATOM 0 HZ1 LYS A 68 35.335 -11.790 -1.195 1.00 18.69 H new ATOM 0 HZ2 LYS A 68 35.930 -10.583 -0.159 1.00 18.69 H new ATOM 0 HZ3 LYS A 68 35.699 -12.162 0.421 1.00 18.69 H new ATOM 280 N MET A 69 32.320 -5.463 1.393 1.00 7.14 N ATOM 281 CA MET A 69 33.031 -4.233 1.716 1.00 5.81 C ATOM 282 C MET A 69 32.281 -3.445 2.784 1.00 3.44 C ATOM 283 O MET A 69 32.888 -2.870 3.688 1.00 3.99 O ATOM 284 CB MET A 69 33.209 -3.378 0.459 1.00 6.02 C ATOM 285 CG MET A 69 34.036 -2.123 0.685 1.00 5.87 C ATOM 286 SD MET A 69 34.179 -1.108 -0.799 1.00 6.52 S ATOM 287 CE MET A 69 32.454 -0.795 -1.164 1.00 6.78 C ATOM 0 H MET A 69 31.990 -5.518 0.429 1.00 7.14 H new ATOM 0 HA MET A 69 34.014 -4.496 2.106 1.00 5.81 H new ATOM 0 HB2 MET A 69 33.684 -3.981 -0.315 1.00 6.02 H new ATOM 0 HB3 MET A 69 32.227 -3.092 0.083 1.00 6.02 H new ATOM 0 HG2 MET A 69 33.583 -1.533 1.482 1.00 5.87 H new ATOM 0 HG3 MET A 69 35.032 -2.406 1.025 1.00 5.87 H new ATOM 0 HE1 MET A 69 32.348 0.201 -1.593 1.00 6.78 H new ATOM 0 HE2 MET A 69 32.092 -1.537 -1.876 1.00 6.78 H new ATOM 0 HE3 MET A 69 31.870 -0.858 -0.246 1.00 6.78 H new ATOM 297 N VAL A 70 30.956 -3.426 2.676 1.00 1.33 N ATOM 298 CA VAL A 70 30.120 -2.715 3.631 1.00 1.26 C ATOM 299 C VAL A 70 30.074 -3.457 4.961 1.00 2.76 C ATOM 300 O VAL A 70 30.224 -2.851 6.023 1.00 3.24 O ATOM 301 CB VAL A 70 28.688 -2.508 3.074 1.00 3.60 C ATOM 302 CG1 VAL A 70 27.692 -2.132 4.169 1.00 5.10 C ATOM 303 CG2 VAL A 70 28.708 -1.443 1.992 1.00 3.96 C ATOM 0 H VAL A 70 30.439 -3.897 1.933 1.00 1.33 H new ATOM 0 HA VAL A 70 30.562 -1.733 3.798 1.00 1.26 H new ATOM 0 HB VAL A 70 28.357 -3.456 2.651 1.00 3.60 H new ATOM 0 HG11 VAL A 70 26.703 -1.997 3.731 1.00 5.10 H new ATOM 0 HG12 VAL A 70 27.654 -2.926 4.914 1.00 5.10 H new ATOM 0 HG13 VAL A 70 28.008 -1.203 4.645 1.00 5.10 H new ATOM 0 HG21 VAL A 70 27.700 -1.300 1.603 1.00 3.96 H new ATOM 0 HG22 VAL A 70 29.071 -0.505 2.412 1.00 3.96 H new ATOM 0 HG23 VAL A 70 29.368 -1.758 1.183 1.00 3.96 H new ATOM 313 N PHE A 71 29.879 -4.771 4.905 1.00 4.43 N ATOM 314 CA PHE A 71 29.831 -5.575 6.118 1.00 6.58 C ATOM 315 C PHE A 71 31.057 -5.291 6.979 1.00 7.19 C ATOM 316 O PHE A 71 30.961 -4.625 8.007 1.00 8.59 O ATOM 317 CB PHE A 71 29.754 -7.067 5.782 1.00 7.62 C ATOM 318 CG PHE A 71 29.919 -7.960 6.980 1.00 7.80 C ATOM 319 CD1 PHE A 71 29.114 -7.787 8.114 1.00 9.02 C ATOM 320 CD2 PHE A 71 30.888 -8.974 6.987 1.00 7.10 C ATOM 321 CE1 PHE A 71 29.270 -8.610 9.234 1.00 9.45 C ATOM 322 CE2 PHE A 71 31.049 -9.800 8.103 1.00 7.86 C ATOM 323 CZ PHE A 71 30.240 -9.617 9.228 1.00 8.95 C ATOM 0 H PHE A 71 29.753 -5.297 4.040 1.00 4.43 H new ATOM 0 HA PHE A 71 28.933 -5.306 6.675 1.00 6.58 H new ATOM 0 HB2 PHE A 71 28.793 -7.276 5.312 1.00 7.62 H new ATOM 0 HB3 PHE A 71 30.526 -7.307 5.051 1.00 7.62 H new ATOM 0 HD1 PHE A 71 28.365 -7.009 8.123 1.00 9.02 H new ATOM 0 HD2 PHE A 71 31.517 -9.118 6.121 1.00 7.10 H new ATOM 0 HE1 PHE A 71 28.643 -8.468 10.102 1.00 9.45 H new ATOM 0 HE2 PHE A 71 31.797 -10.579 8.096 1.00 7.86 H new ATOM 0 HZ PHE A 71 30.364 -10.253 10.092 1.00 8.95 H new ATOM 333 N ASP A 72 32.211 -5.788 6.542 1.00 6.34 N ATOM 334 CA ASP A 72 33.461 -5.580 7.265 1.00 7.11 C ATOM 335 C ASP A 72 33.594 -4.128 7.719 1.00 7.88 C ATOM 336 O ASP A 72 34.136 -3.849 8.789 1.00 8.58 O ATOM 337 CB ASP A 72 34.652 -5.958 6.383 1.00 5.59 C ATOM 338 CG ASP A 72 35.170 -7.353 6.673 1.00 5.76 C ATOM 339 OD1 ASP A 72 35.379 -7.674 7.861 1.00 6.65 O ATOM 340 OD2 ASP A 72 35.368 -8.124 5.710 1.00 5.60 O ATOM 0 H ASP A 72 32.306 -6.339 5.689 1.00 6.34 H new ATOM 0 HA ASP A 72 33.451 -6.219 8.148 1.00 7.11 H new ATOM 0 HB2 ASP A 72 34.359 -5.893 5.335 1.00 5.59 H new ATOM 0 HB3 ASP A 72 35.455 -5.237 6.534 1.00 5.59 H new ATOM 345 N THR A 73 33.087 -3.205 6.905 1.00 8.53 N ATOM 346 CA THR A 73 33.144 -1.790 7.235 1.00 9.83 C ATOM 347 C THR A 73 32.245 -1.492 8.429 1.00 12.53 C ATOM 348 O THR A 73 32.723 -1.259 9.539 1.00 14.36 O ATOM 349 CB THR A 73 32.723 -0.943 6.028 1.00 8.69 C ATOM 350 OG1 THR A 73 33.715 -0.984 5.019 1.00 8.66 O ATOM 351 CG2 THR A 73 32.470 0.516 6.362 1.00 8.26 C ATOM 0 H THR A 73 32.634 -3.414 6.015 1.00 8.53 H new ATOM 0 HA THR A 73 34.171 -1.534 7.497 1.00 9.83 H new ATOM 0 HB THR A 73 31.786 -1.383 5.687 1.00 8.69 H new ATOM 0 HG1 THR A 73 33.579 -1.777 4.459 1.00 8.66 H new ATOM 0 HG21 THR A 73 32.177 1.051 5.458 1.00 8.26 H new ATOM 0 HG22 THR A 73 31.672 0.587 7.101 1.00 8.26 H new ATOM 0 HG23 THR A 73 33.380 0.960 6.767 1.00 8.26 H new ATOM 359 N LEU A 74 30.937 -1.504 8.191 1.00 13.03 N ATOM 360 CA LEU A 74 29.970 -1.238 9.247 1.00 15.69 C ATOM 361 C LEU A 74 30.240 -2.108 10.471 1.00 16.52 C ATOM 362 O LEU A 74 29.992 -1.696 11.603 1.00 18.43 O ATOM 363 CB LEU A 74 28.551 -1.476 8.733 1.00 16.94 C ATOM 364 CG LEU A 74 28.143 -0.606 7.545 1.00 16.09 C ATOM 365 CD1 LEU A 74 26.643 -0.683 7.325 1.00 18.34 C ATOM 366 CD2 LEU A 74 28.579 0.837 7.762 1.00 15.57 C ATOM 0 H LEU A 74 30.524 -1.695 7.278 1.00 13.03 H new ATOM 0 HA LEU A 74 30.071 -0.194 9.545 1.00 15.69 H new ATOM 0 HB2 LEU A 74 28.454 -2.524 8.448 1.00 16.94 H new ATOM 0 HB3 LEU A 74 27.850 -1.302 9.550 1.00 16.94 H new ATOM 0 HG LEU A 74 28.643 -0.983 6.653 1.00 16.09 H new ATOM 0 HD11 LEU A 74 26.367 -0.058 6.475 1.00 18.34 H new ATOM 0 HD12 LEU A 74 26.357 -1.715 7.124 1.00 18.34 H new ATOM 0 HD13 LEU A 74 26.126 -0.331 8.217 1.00 18.34 H new ATOM 0 HD21 LEU A 74 28.279 1.440 6.905 1.00 15.57 H new ATOM 0 HD22 LEU A 74 28.108 1.228 8.664 1.00 15.57 H new ATOM 0 HD23 LEU A 74 29.663 0.877 7.873 1.00 15.57 H new ATOM 378 N LYS A 75 30.752 -3.311 10.237 1.00 15.26 N ATOM 379 CA LYS A 75 31.060 -4.233 11.325 1.00 16.26 C ATOM 380 C LYS A 75 31.982 -3.569 12.344 1.00 15.32 C ATOM 381 O LYS A 75 31.617 -3.396 13.507 1.00 16.33 O ATOM 382 CB LYS A 75 31.716 -5.506 10.782 1.00 15.90 C ATOM 383 CG LYS A 75 31.521 -6.722 11.671 1.00 15.93 C ATOM 384 CD LYS A 75 32.842 -7.411 11.980 1.00 16.34 C ATOM 385 CE LYS A 75 33.633 -7.697 10.713 1.00 16.84 C ATOM 386 NZ LYS A 75 34.477 -8.916 10.849 1.00 18.73 N ATOM 0 H LYS A 75 30.962 -3.671 9.306 1.00 15.26 H new ATOM 0 HA LYS A 75 30.125 -4.501 11.817 1.00 16.26 H new ATOM 0 HB2 LYS A 75 31.309 -5.721 9.794 1.00 15.90 H new ATOM 0 HB3 LYS A 75 32.784 -5.328 10.655 1.00 15.90 H new ATOM 0 HG2 LYS A 75 31.042 -6.419 12.602 1.00 15.93 H new ATOM 0 HG3 LYS A 75 30.849 -7.427 11.181 1.00 15.93 H new ATOM 0 HD2 LYS A 75 33.434 -6.783 12.645 1.00 16.34 H new ATOM 0 HD3 LYS A 75 32.651 -8.345 12.509 1.00 16.34 H new ATOM 0 HE2 LYS A 75 32.946 -7.823 9.876 1.00 16.84 H new ATOM 0 HE3 LYS A 75 34.266 -6.841 10.479 1.00 16.84 H new ATOM 0 HZ1 LYS A 75 35.000 -9.077 9.965 1.00 18.73 H new ATOM 0 HZ2 LYS A 75 35.150 -8.787 11.631 1.00 18.73 H new ATOM 0 HZ3 LYS A 75 33.871 -9.738 11.047 1.00 18.73 H new ATOM 400 N ASP A 76 33.176 -3.195 11.895 1.00 13.47 N ATOM 401 CA ASP A 76 34.150 -2.546 12.763 1.00 12.56 C ATOM 402 C ASP A 76 33.687 -1.142 13.141 1.00 13.88 C ATOM 403 O ASP A 76 33.964 -0.660 14.239 1.00 14.42 O ATOM 404 CB ASP A 76 35.514 -2.479 12.073 1.00 9.99 C ATOM 405 CG ASP A 76 36.626 -3.049 12.933 1.00 10.85 C ATOM 406 OD1 ASP A 76 36.363 -4.015 13.679 1.00 11.30 O ATOM 407 OD2 ASP A 76 37.759 -2.528 12.861 1.00 11.41 O ATOM 0 H ASP A 76 33.492 -3.331 10.935 1.00 13.47 H new ATOM 0 HA ASP A 76 34.242 -3.137 13.674 1.00 12.56 H new ATOM 0 HB2 ASP A 76 35.469 -3.027 11.132 1.00 9.99 H new ATOM 0 HB3 ASP A 76 35.743 -1.442 11.828 1.00 9.99 H new ATOM 412 N LEU A 77 32.977 -0.493 12.223 1.00 14.65 N ATOM 413 CA LEU A 77 32.472 0.854 12.458 1.00 16.50 C ATOM 414 C LEU A 77 31.414 0.843 13.560 1.00 18.45 C ATOM 415 O LEU A 77 31.618 1.408 14.634 1.00 19.76 O ATOM 416 CB LEU A 77 31.906 1.432 11.151 1.00 17.26 C ATOM 417 CG LEU A 77 30.871 2.554 11.299 1.00 18.57 C ATOM 418 CD1 LEU A 77 31.273 3.518 12.404 1.00 17.92 C ATOM 419 CD2 LEU A 77 30.699 3.293 9.981 1.00 18.88 C ATOM 0 H LEU A 77 32.739 -0.879 11.309 1.00 14.65 H new ATOM 0 HA LEU A 77 33.291 1.491 12.791 1.00 16.50 H new ATOM 0 HB2 LEU A 77 32.737 1.809 10.555 1.00 17.26 H new ATOM 0 HB3 LEU A 77 31.451 0.619 10.585 1.00 17.26 H new ATOM 0 HG LEU A 77 29.916 2.105 11.572 1.00 18.57 H new ATOM 0 HD11 LEU A 77 30.524 4.305 12.490 1.00 17.92 H new ATOM 0 HD12 LEU A 77 31.344 2.979 13.349 1.00 17.92 H new ATOM 0 HD13 LEU A 77 32.240 3.962 12.166 1.00 17.92 H new ATOM 0 HD21 LEU A 77 29.961 4.086 10.102 1.00 18.88 H new ATOM 0 HD22 LEU A 77 31.652 3.727 9.680 1.00 18.88 H new ATOM 0 HD23 LEU A 77 30.360 2.596 9.215 1.00 18.88 H new ATOM 431 N TYR A 78 30.286 0.191 13.291 1.00 18.87 N ATOM 432 CA TYR A 78 29.208 0.106 14.268 1.00 20.91 C ATOM 433 C TYR A 78 29.720 -0.463 15.587 1.00 22.78 C ATOM 434 O TYR A 78 29.163 -0.192 16.650 1.00 24.56 O ATOM 435 CB TYR A 78 28.068 -0.766 13.736 1.00 21.23 C ATOM 436 CG TYR A 78 27.326 -0.171 12.556 1.00 21.07 C ATOM 437 CD1 TYR A 78 27.471 1.185 12.210 1.00 19.97 C ATOM 438 CD2 TYR A 78 26.468 -0.967 11.777 1.00 22.41 C ATOM 439 CE1 TYR A 78 26.781 1.729 11.125 1.00 20.24 C ATOM 440 CE2 TYR A 78 25.776 -0.430 10.690 1.00 22.69 C ATOM 441 CZ TYR A 78 25.935 0.918 10.368 1.00 21.61 C ATOM 442 OH TYR A 78 25.252 1.450 9.300 1.00 22.24 O ATOM 0 H TYR A 78 30.096 -0.284 12.408 1.00 18.87 H new ATOM 0 HA TYR A 78 28.831 1.114 14.442 1.00 20.91 H new ATOM 0 HB2 TYR A 78 28.473 -1.735 13.444 1.00 21.23 H new ATOM 0 HB3 TYR A 78 27.358 -0.947 14.543 1.00 21.23 H new ATOM 0 HD1 TYR A 78 28.126 1.815 12.793 1.00 19.97 H new ATOM 0 HD2 TYR A 78 26.342 -2.011 12.024 1.00 22.41 H new ATOM 0 HE1 TYR A 78 26.902 2.772 10.873 1.00 20.24 H new ATOM 0 HE2 TYR A 78 25.121 -1.055 10.101 1.00 22.69 H new ATOM 0 HH TYR A 78 24.304 1.210 9.366 1.00 22.24 H new ATOM 452 N LYS A 79 30.785 -1.255 15.508 1.00 22.43 N ATOM 453 CA LYS A 79 31.374 -1.863 16.694 1.00 24.18 C ATOM 454 C LYS A 79 31.989 -0.804 17.600 1.00 24.94 C ATOM 455 O LYS A 79 31.862 -0.868 18.823 1.00 26.28 O ATOM 456 CB LYS A 79 32.434 -2.891 16.295 1.00 23.84 C ATOM 457 CG LYS A 79 31.946 -4.329 16.363 1.00 24.48 C ATOM 458 CD LYS A 79 32.848 -5.184 17.238 1.00 25.98 C ATOM 459 CE LYS A 79 32.187 -6.504 17.597 1.00 27.63 C ATOM 460 NZ LYS A 79 32.983 -7.272 18.594 1.00 29.43 N ATOM 0 H LYS A 79 31.257 -1.490 14.635 1.00 22.43 H new ATOM 0 HA LYS A 79 30.580 -2.368 17.244 1.00 24.18 H new ATOM 0 HB2 LYS A 79 32.770 -2.678 15.280 1.00 23.84 H new ATOM 0 HB3 LYS A 79 33.300 -2.779 16.948 1.00 23.84 H new ATOM 0 HG2 LYS A 79 30.930 -4.351 16.756 1.00 24.48 H new ATOM 0 HG3 LYS A 79 31.908 -4.749 15.358 1.00 24.48 H new ATOM 0 HD2 LYS A 79 33.786 -5.376 16.717 1.00 25.98 H new ATOM 0 HD3 LYS A 79 33.095 -4.640 18.150 1.00 25.98 H new ATOM 0 HE2 LYS A 79 31.191 -6.314 17.997 1.00 27.63 H new ATOM 0 HE3 LYS A 79 32.060 -7.103 16.695 1.00 27.63 H new ATOM 0 HZ1 LYS A 79 32.498 -8.166 18.812 1.00 29.43 H new ATOM 0 HZ2 LYS A 79 33.925 -7.476 18.203 1.00 29.43 H new ATOM 0 HZ3 LYS A 79 33.083 -6.712 19.464 1.00 29.43 H new ATOM 474 N LYS A 80 32.656 0.171 16.994 1.00 24.21 N ATOM 475 CA LYS A 80 33.291 1.244 17.748 1.00 24.80 C ATOM 476 C LYS A 80 32.245 2.139 18.403 1.00 27.13 C ATOM 477 O LYS A 80 32.458 2.664 19.496 1.00 28.41 O ATOM 478 CB LYS A 80 34.196 2.075 16.837 1.00 22.48 C ATOM 479 CG LYS A 80 35.589 2.298 17.403 1.00 20.34 C ATOM 480 CD LYS A 80 36.503 2.963 16.389 1.00 19.01 C ATOM 481 CE LYS A 80 36.092 4.404 16.129 1.00 18.40 C ATOM 482 NZ LYS A 80 37.232 5.228 15.641 1.00 17.99 N ATOM 0 H LYS A 80 32.771 0.240 15.983 1.00 24.21 H new ATOM 0 HA LYS A 80 33.899 0.792 18.532 1.00 24.80 H new ATOM 0 HB2 LYS A 80 34.281 1.577 15.871 1.00 22.48 H new ATOM 0 HB3 LYS A 80 33.727 3.042 16.657 1.00 22.48 H new ATOM 0 HG2 LYS A 80 35.524 2.918 18.297 1.00 20.34 H new ATOM 0 HG3 LYS A 80 36.016 1.343 17.708 1.00 20.34 H new ATOM 0 HD2 LYS A 80 37.531 2.936 16.751 1.00 19.01 H new ATOM 0 HD3 LYS A 80 36.480 2.403 15.454 1.00 19.01 H new ATOM 0 HE2 LYS A 80 35.288 4.425 15.393 1.00 18.40 H new ATOM 0 HE3 LYS A 80 35.696 4.840 17.046 1.00 18.40 H new ATOM 0 HZ1 LYS A 80 36.910 6.203 15.476 1.00 17.99 H new ATOM 0 HZ2 LYS A 80 37.989 5.230 16.354 1.00 17.99 H new ATOM 0 HZ3 LYS A 80 37.594 4.828 14.752 1.00 17.99 H new ATOM 496 N THR A 81 31.112 2.308 17.729 1.00 27.81 N ATOM 497 CA THR A 81 30.030 3.137 18.243 1.00 30.21 C ATOM 498 C THR A 81 29.554 2.630 19.599 1.00 32.50 C ATOM 499 O THR A 81 29.390 3.404 20.542 1.00 33.57 O ATOM 500 CB THR A 81 28.866 3.155 17.257 1.00 31.11 C ATOM 501 OG1 THR A 81 29.213 2.482 16.063 1.00 29.65 O ATOM 502 CG2 THR A 81 28.414 4.550 16.882 1.00 31.20 C ATOM 0 H THR A 81 30.920 1.880 16.823 1.00 27.81 H new ATOM 0 HA THR A 81 30.409 4.151 18.368 1.00 30.21 H new ATOM 0 HB THR A 81 28.046 2.654 17.772 1.00 31.11 H new ATOM 0 HG1 THR A 81 28.993 3.047 15.293 1.00 29.65 H new ATOM 0 HG21 THR A 81 27.584 4.487 16.178 1.00 31.20 H new ATOM 0 HG22 THR A 81 28.091 5.081 17.778 1.00 31.20 H new ATOM 0 HG23 THR A 81 29.241 5.089 16.420 1.00 31.20 H new ATOM 566 N ASP B 54 24.649 -5.914 18.917 1.00 34.77 N ATOM 567 CA ASP B 54 23.754 -5.351 17.912 1.00 32.27 C ATOM 568 C ASP B 54 24.543 -4.752 16.751 1.00 31.97 C ATOM 569 O ASP B 54 24.037 -4.645 15.634 1.00 31.48 O ATOM 570 CB ASP B 54 22.859 -4.282 18.539 1.00 32.07 C ATOM 571 CG ASP B 54 21.596 -4.038 17.736 1.00 29.33 C ATOM 572 OD1 ASP B 54 21.663 -3.288 16.739 1.00 27.64 O ATOM 573 OD2 ASP B 54 20.542 -4.597 18.104 1.00 28.94 O ATOM 0 HA ASP B 54 23.131 -6.158 17.525 1.00 32.27 H new ATOM 0 HB2 ASP B 54 22.590 -4.586 19.550 1.00 32.07 H new ATOM 0 HB3 ASP B 54 23.417 -3.350 18.624 1.00 32.07 H new ATOM 578 N ALA B 55 25.784 -4.363 17.024 1.00 32.27 N ATOM 579 CA ALA B 55 26.642 -3.772 16.002 1.00 32.03 C ATOM 580 C ALA B 55 26.834 -4.725 14.828 1.00 30.20 C ATOM 581 O ALA B 55 26.691 -4.335 13.669 1.00 28.99 O ATOM 582 CB ALA B 55 27.987 -3.390 16.599 1.00 33.88 C ATOM 0 H ALA B 55 26.218 -4.446 17.943 1.00 32.27 H new ATOM 0 HA ALA B 55 26.153 -2.872 15.629 1.00 32.03 H new ATOM 0 HB1 ALA B 55 28.617 -2.950 15.826 1.00 33.88 H new ATOM 0 HB2 ALA B 55 27.837 -2.666 17.400 1.00 33.88 H new ATOM 0 HB3 ALA B 55 28.473 -4.279 17.000 1.00 33.88 H new ATOM 588 N GLU B 56 27.160 -5.977 15.134 1.00 30.08 N ATOM 589 CA GLU B 56 27.372 -6.986 14.102 1.00 28.53 C ATOM 590 C GLU B 56 26.090 -7.234 13.316 1.00 26.58 C ATOM 591 O GLU B 56 26.110 -7.321 12.087 1.00 26.67 O ATOM 592 CB GLU B 56 27.864 -8.293 14.729 1.00 29.11 C ATOM 593 CG GLU B 56 28.321 -9.321 13.708 1.00 29.90 C ATOM 594 CD GLU B 56 28.149 -10.745 14.199 1.00 29.48 C ATOM 595 OE1 GLU B 56 27.607 -10.929 15.309 1.00 29.75 O ATOM 596 OE2 GLU B 56 28.555 -11.676 13.473 1.00 28.99 O ATOM 0 H GLU B 56 27.283 -6.317 16.088 1.00 30.08 H new ATOM 0 HA GLU B 56 28.132 -6.615 13.415 1.00 28.53 H new ATOM 0 HB2 GLU B 56 28.689 -8.074 15.406 1.00 29.11 H new ATOM 0 HB3 GLU B 56 27.063 -8.722 15.331 1.00 29.11 H new ATOM 0 HG2 GLU B 56 27.756 -9.188 12.785 1.00 29.90 H new ATOM 0 HG3 GLU B 56 29.370 -9.148 13.467 1.00 29.90 H new ATOM 603 N ARG B 57 24.975 -7.347 14.030 1.00 24.92 N ATOM 604 CA ARG B 57 23.684 -7.584 13.395 1.00 23.03 C ATOM 605 C ARG B 57 23.315 -6.429 12.471 1.00 20.45 C ATOM 606 O ARG B 57 22.734 -6.634 11.406 1.00 19.14 O ATOM 607 CB ARG B 57 22.596 -7.771 14.454 1.00 23.23 C ATOM 608 CG ARG B 57 22.705 -9.082 15.215 1.00 24.88 C ATOM 609 CD ARG B 57 21.705 -9.145 16.357 1.00 25.70 C ATOM 610 NE ARG B 57 21.552 -10.501 16.877 1.00 27.90 N ATOM 611 CZ ARG B 57 20.941 -11.478 16.215 1.00 27.99 C ATOM 612 NH1 ARG B 57 20.428 -11.249 15.014 1.00 25.99 N ATOM 613 NH2 ARG B 57 20.844 -12.686 16.753 1.00 30.22 N ATOM 0 H ARG B 57 24.939 -7.278 15.047 1.00 24.92 H new ATOM 0 HA ARG B 57 23.761 -8.494 12.800 1.00 23.03 H new ATOM 0 HB2 ARG B 57 22.645 -6.944 15.163 1.00 23.23 H new ATOM 0 HB3 ARG B 57 21.620 -7.721 13.972 1.00 23.23 H new ATOM 0 HG2 ARG B 57 22.534 -9.915 14.533 1.00 24.88 H new ATOM 0 HG3 ARG B 57 23.716 -9.193 15.608 1.00 24.88 H new ATOM 0 HD2 ARG B 57 22.030 -8.483 17.160 1.00 25.70 H new ATOM 0 HD3 ARG B 57 20.738 -8.778 16.013 1.00 25.70 H new ATOM 0 HE ARG B 57 21.935 -10.710 17.799 1.00 27.90 H new ATOM 0 HH11 ARG B 57 20.502 -10.321 14.596 1.00 25.99 H new ATOM 0 HH12 ARG B 57 19.960 -12.000 14.508 1.00 25.99 H new ATOM 0 HH21 ARG B 57 21.239 -12.866 17.676 1.00 30.22 H new ATOM 0 HH22 ARG B 57 20.375 -13.435 16.244 1.00 30.22 H new ATOM 627 N LEU B 58 23.659 -5.216 12.889 1.00 19.83 N ATOM 628 CA LEU B 58 23.367 -4.025 12.100 1.00 17.51 C ATOM 629 C LEU B 58 24.098 -4.070 10.764 1.00 16.56 C ATOM 630 O LEU B 58 23.489 -3.930 9.704 1.00 15.81 O ATOM 631 CB LEU B 58 23.768 -2.766 12.871 1.00 17.71 C ATOM 632 CG LEU B 58 22.779 -2.326 13.951 1.00 18.52 C ATOM 633 CD1 LEU B 58 23.380 -1.217 14.802 1.00 18.98 C ATOM 634 CD2 LEU B 58 21.473 -1.866 13.321 1.00 17.57 C ATOM 0 H LEU B 58 24.140 -5.032 13.769 1.00 19.83 H new ATOM 0 HA LEU B 58 22.294 -3.998 11.909 1.00 17.51 H new ATOM 0 HB2 LEU B 58 24.739 -2.937 13.337 1.00 17.71 H new ATOM 0 HB3 LEU B 58 23.895 -1.949 12.161 1.00 17.71 H new ATOM 0 HG LEU B 58 22.569 -3.180 14.595 1.00 18.52 H new ATOM 0 HD11 LEU B 58 22.663 -0.915 15.566 1.00 18.98 H new ATOM 0 HD12 LEU B 58 24.290 -1.578 15.281 1.00 18.98 H new ATOM 0 HD13 LEU B 58 23.618 -0.362 14.170 1.00 18.98 H new ATOM 0 HD21 LEU B 58 20.781 -1.556 14.104 1.00 17.57 H new ATOM 0 HD22 LEU B 58 21.667 -1.025 12.655 1.00 17.57 H new ATOM 0 HD23 LEU B 58 21.035 -2.686 12.752 1.00 17.57 H new ATOM 646 N ALA B 59 25.408 -4.264 10.827 1.00 16.77 N ATOM 647 CA ALA B 59 26.232 -4.328 9.627 1.00 16.23 C ATOM 648 C ALA B 59 25.653 -5.310 8.618 1.00 16.79 C ATOM 649 O ALA B 59 25.649 -5.051 7.414 1.00 17.50 O ATOM 650 CB ALA B 59 27.658 -4.715 9.987 1.00 17.00 C ATOM 0 H ALA B 59 25.925 -4.380 11.699 1.00 16.77 H new ATOM 0 HA ALA B 59 26.241 -3.340 9.168 1.00 16.23 H new ATOM 0 HB1 ALA B 59 28.263 -4.759 9.081 1.00 17.00 H new ATOM 0 HB2 ALA B 59 28.076 -3.972 10.667 1.00 17.00 H new ATOM 0 HB3 ALA B 59 27.659 -5.691 10.472 1.00 17.00 H new ATOM 656 N ASP B 60 25.161 -6.440 9.115 1.00 16.82 N ATOM 657 CA ASP B 60 24.578 -7.460 8.253 1.00 17.93 C ATOM 658 C ASP B 60 23.305 -6.944 7.596 1.00 16.57 C ATOM 659 O ASP B 60 23.004 -7.281 6.450 1.00 17.33 O ATOM 660 CB ASP B 60 24.281 -8.731 9.051 1.00 19.00 C ATOM 661 CG ASP B 60 24.133 -9.950 8.162 1.00 19.63 C ATOM 662 OD1 ASP B 60 23.847 -9.777 6.958 1.00 18.58 O ATOM 663 OD2 ASP B 60 24.303 -11.079 8.669 1.00 21.39 O ATOM 0 H ASP B 60 25.155 -6.672 10.108 1.00 16.82 H new ATOM 0 HA ASP B 60 25.300 -7.698 7.472 1.00 17.93 H new ATOM 0 HB2 ASP B 60 25.084 -8.903 9.768 1.00 19.00 H new ATOM 0 HB3 ASP B 60 23.366 -8.590 9.626 1.00 19.00 H new ATOM 668 N GLU B 61 22.562 -6.118 8.325 1.00 14.89 N ATOM 669 CA GLU B 61 21.327 -5.549 7.810 1.00 13.80 C ATOM 670 C GLU B 61 21.620 -4.594 6.660 1.00 13.00 C ATOM 671 O GLU B 61 20.926 -4.598 5.644 1.00 13.25 O ATOM 672 CB GLU B 61 20.575 -4.810 8.921 1.00 12.29 C ATOM 673 CG GLU B 61 19.429 -5.612 9.514 1.00 11.45 C ATOM 674 CD GLU B 61 19.907 -6.815 10.303 1.00 12.09 C ATOM 675 OE1 GLU B 61 20.386 -7.784 9.676 1.00 11.55 O ATOM 676 OE2 GLU B 61 19.804 -6.789 11.547 1.00 13.25 O ATOM 0 H GLU B 61 22.796 -5.829 9.275 1.00 14.89 H new ATOM 0 HA GLU B 61 20.703 -6.363 7.442 1.00 13.80 H new ATOM 0 HB2 GLU B 61 21.277 -4.552 9.714 1.00 12.29 H new ATOM 0 HB3 GLU B 61 20.185 -3.873 8.524 1.00 12.29 H new ATOM 0 HG2 GLU B 61 18.837 -4.967 10.164 1.00 11.45 H new ATOM 0 HG3 GLU B 61 18.771 -5.946 8.712 1.00 11.45 H new ATOM 683 N GLN B 62 22.656 -3.778 6.831 1.00 12.35 N ATOM 684 CA GLN B 62 23.054 -2.810 5.813 1.00 11.91 C ATOM 685 C GLN B 62 23.692 -3.501 4.612 1.00 11.42 C ATOM 686 O GLN B 62 23.343 -3.220 3.468 1.00 11.17 O ATOM 687 CB GLN B 62 24.036 -1.793 6.400 1.00 12.16 C ATOM 688 CG GLN B 62 23.796 -1.475 7.869 1.00 14.20 C ATOM 689 CD GLN B 62 22.325 -1.313 8.205 1.00 13.74 C ATOM 690 OE1 GLN B 62 21.476 -1.256 7.315 1.00 13.63 O ATOM 691 NE2 GLN B 62 22.018 -1.237 9.495 1.00 13.83 N ATOM 0 H GLN B 62 23.238 -3.768 7.669 1.00 12.35 H new ATOM 0 HA GLN B 62 22.154 -2.294 5.478 1.00 11.91 H new ATOM 0 HB2 GLN B 62 25.051 -2.174 6.283 1.00 12.16 H new ATOM 0 HB3 GLN B 62 23.974 -0.870 5.824 1.00 12.16 H new ATOM 0 HG2 GLN B 62 24.218 -2.272 8.482 1.00 14.20 H new ATOM 0 HG3 GLN B 62 24.326 -0.559 8.129 1.00 14.20 H new ATOM 0 HE21 GLN B 62 22.755 -1.289 10.198 1.00 13.83 H new ATOM 0 HE22 GLN B 62 21.045 -1.127 9.782 1.00 13.83 H new ATOM 700 N SER B 63 24.637 -4.398 4.878 1.00 11.45 N ATOM 701 CA SER B 63 25.329 -5.113 3.812 1.00 11.26 C ATOM 702 C SER B 63 24.348 -5.760 2.840 1.00 9.37 C ATOM 703 O SER B 63 24.451 -5.574 1.627 1.00 7.82 O ATOM 704 CB SER B 63 26.255 -6.176 4.401 1.00 13.77 C ATOM 705 OG SER B 63 25.697 -6.745 5.571 1.00 14.56 O ATOM 0 H SER B 63 24.940 -4.646 5.820 1.00 11.45 H new ATOM 0 HA SER B 63 25.921 -4.385 3.258 1.00 11.26 H new ATOM 0 HB2 SER B 63 26.433 -6.957 3.662 1.00 13.77 H new ATOM 0 HB3 SER B 63 27.222 -5.731 4.635 1.00 13.77 H new ATOM 0 HG SER B 63 25.990 -6.235 6.355 1.00 14.56 H new ATOM 711 N GLU B 64 23.408 -6.531 3.373 1.00 9.94 N ATOM 712 CA GLU B 64 22.425 -7.217 2.544 1.00 8.76 C ATOM 713 C GLU B 64 21.637 -6.240 1.674 1.00 6.87 C ATOM 714 O GLU B 64 21.640 -6.357 0.448 1.00 7.22 O ATOM 715 CB GLU B 64 21.476 -8.044 3.416 1.00 10.65 C ATOM 716 CG GLU B 64 20.823 -7.260 4.544 1.00 12.09 C ATOM 717 CD GLU B 64 20.291 -8.157 5.645 1.00 13.93 C ATOM 718 OE1 GLU B 64 20.866 -9.247 5.853 1.00 15.02 O ATOM 719 OE2 GLU B 64 19.301 -7.770 6.299 1.00 14.59 O ATOM 0 H GLU B 64 23.306 -6.697 4.374 1.00 9.94 H new ATOM 0 HA GLU B 64 22.967 -7.887 1.876 1.00 8.76 H new ATOM 0 HB2 GLU B 64 20.696 -8.467 2.784 1.00 10.65 H new ATOM 0 HB3 GLU B 64 22.029 -8.881 3.843 1.00 10.65 H new ATOM 0 HG2 GLU B 64 21.549 -6.564 4.966 1.00 12.09 H new ATOM 0 HG3 GLU B 64 20.006 -6.662 4.141 1.00 12.09 H new ATOM 726 N LEU B 65 20.958 -5.281 2.299 1.00 5.21 N ATOM 727 CA LEU B 65 20.171 -4.309 1.547 1.00 4.09 C ATOM 728 C LEU B 65 21.014 -3.656 0.457 1.00 4.31 C ATOM 729 O LEU B 65 20.503 -3.313 -0.609 1.00 4.53 O ATOM 730 CB LEU B 65 19.573 -3.238 2.463 1.00 5.02 C ATOM 731 CG LEU B 65 20.509 -2.679 3.530 1.00 4.92 C ATOM 732 CD1 LEU B 65 21.305 -1.506 2.983 1.00 3.66 C ATOM 733 CD2 LEU B 65 19.716 -2.260 4.761 1.00 5.88 C ATOM 0 H LEU B 65 20.937 -5.157 3.311 1.00 5.21 H new ATOM 0 HA LEU B 65 19.349 -4.850 1.079 1.00 4.09 H new ATOM 0 HB2 LEU B 65 19.223 -2.412 1.844 1.00 5.02 H new ATOM 0 HB3 LEU B 65 18.698 -3.658 2.958 1.00 5.02 H new ATOM 0 HG LEU B 65 21.211 -3.461 3.819 1.00 4.92 H new ATOM 0 HD11 LEU B 65 21.967 -1.122 3.759 1.00 3.66 H new ATOM 0 HD12 LEU B 65 21.899 -1.835 2.130 1.00 3.66 H new ATOM 0 HD13 LEU B 65 20.621 -0.718 2.666 1.00 3.66 H new ATOM 0 HD21 LEU B 65 20.396 -1.863 5.514 1.00 5.88 H new ATOM 0 HD22 LEU B 65 18.993 -1.492 4.484 1.00 5.88 H new ATOM 0 HD23 LEU B 65 19.190 -3.124 5.167 1.00 5.88 H new ATOM 745 N VAL B 66 22.304 -3.489 0.726 1.00 5.05 N ATOM 746 CA VAL B 66 23.205 -2.880 -0.243 1.00 5.50 C ATOM 747 C VAL B 66 23.266 -3.702 -1.525 1.00 6.62 C ATOM 748 O VAL B 66 23.075 -3.178 -2.619 1.00 7.04 O ATOM 749 CB VAL B 66 24.632 -2.717 0.321 1.00 7.26 C ATOM 750 CG1 VAL B 66 25.563 -2.123 -0.727 1.00 8.00 C ATOM 751 CG2 VAL B 66 24.618 -1.856 1.573 1.00 8.22 C ATOM 0 H VAL B 66 22.747 -3.765 1.602 1.00 5.05 H new ATOM 0 HA VAL B 66 22.803 -1.891 -0.463 1.00 5.50 H new ATOM 0 HB VAL B 66 25.006 -3.705 0.588 1.00 7.26 H new ATOM 0 HG11 VAL B 66 26.563 -2.017 -0.307 1.00 8.00 H new ATOM 0 HG12 VAL B 66 25.602 -2.782 -1.595 1.00 8.00 H new ATOM 0 HG13 VAL B 66 25.192 -1.144 -1.031 1.00 8.00 H new ATOM 0 HG21 VAL B 66 25.634 -1.753 1.955 1.00 8.22 H new ATOM 0 HG22 VAL B 66 24.219 -0.870 1.332 1.00 8.22 H new ATOM 0 HG23 VAL B 66 23.991 -2.326 2.331 1.00 8.22 H new ATOM 761 N LYS B 67 23.535 -4.992 -1.381 1.00 7.99 N ATOM 762 CA LYS B 67 23.624 -5.879 -2.534 1.00 9.95 C ATOM 763 C LYS B 67 22.378 -5.763 -3.407 1.00 10.16 C ATOM 764 O LYS B 67 22.458 -5.853 -4.632 1.00 11.53 O ATOM 765 CB LYS B 67 23.808 -7.329 -2.081 1.00 12.61 C ATOM 766 CG LYS B 67 24.091 -8.289 -3.224 1.00 14.41 C ATOM 767 CD LYS B 67 23.664 -9.707 -2.883 1.00 17.07 C ATOM 768 CE LYS B 67 24.647 -10.375 -1.936 1.00 18.80 C ATOM 769 NZ LYS B 67 23.959 -11.256 -0.952 1.00 19.83 N ATOM 0 H LYS B 67 23.695 -5.447 -0.482 1.00 7.99 H new ATOM 0 HA LYS B 67 24.490 -5.578 -3.123 1.00 9.95 H new ATOM 0 HB2 LYS B 67 24.629 -7.376 -1.365 1.00 12.61 H new ATOM 0 HB3 LYS B 67 22.909 -7.655 -1.557 1.00 12.61 H new ATOM 0 HG2 LYS B 67 23.565 -7.955 -4.119 1.00 14.41 H new ATOM 0 HG3 LYS B 67 25.156 -8.275 -3.456 1.00 14.41 H new ATOM 0 HD2 LYS B 67 22.674 -9.690 -2.428 1.00 17.07 H new ATOM 0 HD3 LYS B 67 23.584 -10.293 -3.798 1.00 17.07 H new ATOM 0 HE2 LYS B 67 25.363 -10.963 -2.511 1.00 18.80 H new ATOM 0 HE3 LYS B 67 25.215 -9.611 -1.405 1.00 18.80 H new ATOM 0 HZ1 LYS B 67 24.664 -11.693 -0.325 1.00 19.83 H new ATOM 0 HZ2 LYS B 67 23.294 -10.691 -0.386 1.00 19.83 H new ATOM 0 HZ3 LYS B 67 23.437 -12.000 -1.458 1.00 19.83 H new ATOM 783 N LYS B 68 21.230 -5.568 -2.769 1.00 9.48 N ATOM 784 CA LYS B 68 19.968 -5.447 -3.489 1.00 10.38 C ATOM 785 C LYS B 68 19.929 -4.181 -4.340 1.00 9.75 C ATOM 786 O LYS B 68 19.399 -4.189 -5.452 1.00 10.11 O ATOM 787 CB LYS B 68 18.796 -5.448 -2.507 1.00 9.85 C ATOM 788 CG LYS B 68 17.739 -6.494 -2.824 1.00 11.25 C ATOM 789 CD LYS B 68 16.493 -5.862 -3.422 1.00 13.45 C ATOM 790 CE LYS B 68 15.285 -6.773 -3.285 1.00 15.45 C ATOM 791 NZ LYS B 68 14.005 -6.021 -3.405 1.00 16.90 N ATOM 0 H LYS B 68 21.147 -5.490 -1.755 1.00 9.48 H new ATOM 0 HA LYS B 68 19.883 -6.306 -4.155 1.00 10.38 H new ATOM 0 HB2 LYS B 68 19.176 -5.621 -1.500 1.00 9.85 H new ATOM 0 HB3 LYS B 68 18.331 -4.462 -2.507 1.00 9.85 H new ATOM 0 HG2 LYS B 68 18.147 -7.226 -3.521 1.00 11.25 H new ATOM 0 HG3 LYS B 68 17.474 -7.033 -1.914 1.00 11.25 H new ATOM 0 HD2 LYS B 68 16.292 -4.912 -2.926 1.00 13.45 H new ATOM 0 HD3 LYS B 68 16.666 -5.641 -4.475 1.00 13.45 H new ATOM 0 HE2 LYS B 68 15.325 -7.546 -4.052 1.00 15.45 H new ATOM 0 HE3 LYS B 68 15.320 -7.279 -2.320 1.00 15.45 H new ATOM 0 HZ1 LYS B 68 13.205 -6.679 -3.306 1.00 16.90 H new ATOM 0 HZ2 LYS B 68 13.955 -5.300 -2.657 1.00 16.90 H new ATOM 0 HZ3 LYS B 68 13.960 -5.559 -4.336 1.00 16.90 H new ATOM 805 N MET B 69 20.482 -3.091 -3.815 1.00 9.37 N ATOM 806 CA MET B 69 20.494 -1.825 -4.539 1.00 9.78 C ATOM 807 C MET B 69 21.408 -1.900 -5.762 1.00 11.16 C ATOM 808 O MET B 69 21.095 -1.354 -6.821 1.00 12.26 O ATOM 809 CB MET B 69 20.914 -0.673 -3.606 1.00 7.87 C ATOM 810 CG MET B 69 22.415 -0.407 -3.544 1.00 6.87 C ATOM 811 SD MET B 69 22.942 0.237 -1.945 1.00 6.30 S ATOM 812 CE MET B 69 24.650 0.653 -2.293 1.00 5.13 C ATOM 0 H MET B 69 20.925 -3.059 -2.897 1.00 9.37 H new ATOM 0 HA MET B 69 19.482 -1.626 -4.893 1.00 9.78 H new ATOM 0 HB2 MET B 69 20.412 0.238 -3.930 1.00 7.87 H new ATOM 0 HB3 MET B 69 20.557 -0.892 -2.600 1.00 7.87 H new ATOM 0 HG2 MET B 69 22.953 -1.332 -3.754 1.00 6.87 H new ATOM 0 HG3 MET B 69 22.686 0.304 -4.325 1.00 6.87 H new ATOM 0 HE1 MET B 69 25.266 0.414 -1.426 1.00 5.13 H new ATOM 0 HE2 MET B 69 24.996 0.080 -3.153 1.00 5.13 H new ATOM 0 HE3 MET B 69 24.728 1.718 -2.512 1.00 5.13 H new ATOM 822 N VAL B 70 22.542 -2.574 -5.604 1.00 11.13 N ATOM 823 CA VAL B 70 23.504 -2.710 -6.687 1.00 12.43 C ATOM 824 C VAL B 70 23.185 -3.910 -7.572 1.00 14.22 C ATOM 825 O VAL B 70 23.555 -3.938 -8.746 1.00 14.94 O ATOM 826 CB VAL B 70 24.938 -2.844 -6.145 1.00 10.59 C ATOM 827 CG1 VAL B 70 25.935 -2.947 -7.289 1.00 9.95 C ATOM 828 CG2 VAL B 70 25.272 -1.668 -5.235 1.00 9.35 C ATOM 0 H VAL B 70 22.816 -3.034 -4.736 1.00 11.13 H new ATOM 0 HA VAL B 70 23.433 -1.803 -7.287 1.00 12.43 H new ATOM 0 HB VAL B 70 25.004 -3.760 -5.558 1.00 10.59 H new ATOM 0 HG11 VAL B 70 26.943 -3.041 -6.886 1.00 9.95 H new ATOM 0 HG12 VAL B 70 25.704 -3.823 -7.895 1.00 9.95 H new ATOM 0 HG13 VAL B 70 25.874 -2.051 -7.907 1.00 9.95 H new ATOM 0 HG21 VAL B 70 26.289 -1.776 -4.859 1.00 9.35 H new ATOM 0 HG22 VAL B 70 25.190 -0.738 -5.798 1.00 9.35 H new ATOM 0 HG23 VAL B 70 24.576 -1.647 -4.397 1.00 9.35 H new ATOM 838 N PHE B 71 22.495 -4.899 -7.012 1.00 15.37 N ATOM 839 CA PHE B 71 22.131 -6.091 -7.771 1.00 17.55 C ATOM 840 C PHE B 71 21.164 -5.733 -8.893 1.00 19.17 C ATOM 841 O PHE B 71 21.234 -6.292 -9.989 1.00 20.06 O ATOM 842 CB PHE B 71 21.503 -7.145 -6.857 1.00 18.93 C ATOM 843 CG PHE B 71 21.082 -8.391 -7.586 1.00 20.15 C ATOM 844 CD1 PHE B 71 21.866 -8.903 -8.629 1.00 19.96 C ATOM 845 CD2 PHE B 71 19.902 -9.060 -7.235 1.00 21.75 C ATOM 846 CE1 PHE B 71 21.480 -10.061 -9.310 1.00 21.38 C ATOM 847 CE2 PHE B 71 19.510 -10.219 -7.913 1.00 23.07 C ATOM 848 CZ PHE B 71 20.301 -10.719 -8.951 1.00 22.89 C ATOM 0 H PHE B 71 22.179 -4.900 -6.042 1.00 15.37 H new ATOM 0 HA PHE B 71 23.040 -6.506 -8.207 1.00 17.55 H new ATOM 0 HB2 PHE B 71 22.217 -7.412 -6.078 1.00 18.93 H new ATOM 0 HB3 PHE B 71 20.635 -6.713 -6.359 1.00 18.93 H new ATOM 0 HD1 PHE B 71 22.778 -8.397 -8.909 1.00 19.96 H new ATOM 0 HD2 PHE B 71 19.289 -8.677 -6.433 1.00 21.75 H new ATOM 0 HE1 PHE B 71 22.092 -10.446 -10.112 1.00 21.38 H new ATOM 0 HE2 PHE B 71 18.598 -10.726 -7.635 1.00 23.07 H new ATOM 0 HZ PHE B 71 20.001 -11.614 -9.476 1.00 22.89 H new ATOM 858 N ASP B 72 20.267 -4.792 -8.617 1.00 19.83 N ATOM 859 CA ASP B 72 19.292 -4.352 -9.605 1.00 21.66 C ATOM 860 C ASP B 72 19.935 -3.395 -10.601 1.00 20.50 C ATOM 861 O ASP B 72 19.724 -3.504 -11.809 1.00 20.27 O ATOM 862 CB ASP B 72 18.104 -3.675 -8.919 1.00 23.14 C ATOM 863 CG ASP B 72 16.789 -3.969 -9.615 1.00 25.72 C ATOM 864 OD1 ASP B 72 16.610 -3.512 -10.763 1.00 27.40 O ATOM 865 OD2 ASP B 72 15.939 -4.656 -9.011 1.00 26.18 O ATOM 0 H ASP B 72 20.196 -4.320 -7.716 1.00 19.83 H new ATOM 0 HA ASP B 72 18.933 -5.228 -10.145 1.00 21.66 H new ATOM 0 HB2 ASP B 72 18.047 -4.010 -7.883 1.00 23.14 H new ATOM 0 HB3 ASP B 72 18.267 -2.597 -8.896 1.00 23.14 H new ATOM 870 N THR B 73 20.727 -2.457 -10.088 1.00 19.88 N ATOM 871 CA THR B 73 21.405 -1.485 -10.937 1.00 18.83 C ATOM 872 C THR B 73 22.289 -2.189 -11.962 1.00 19.16 C ATOM 873 O THR B 73 22.317 -1.816 -13.134 1.00 19.74 O ATOM 874 CB THR B 73 22.250 -0.533 -10.087 1.00 16.32 C ATOM 875 OG1 THR B 73 21.424 0.252 -9.245 1.00 16.09 O ATOM 876 CG2 THR B 73 23.099 0.411 -10.910 1.00 16.16 C ATOM 0 H THR B 73 20.914 -2.351 -9.091 1.00 19.88 H new ATOM 0 HA THR B 73 20.647 -0.909 -11.467 1.00 18.83 H new ATOM 0 HB THR B 73 22.912 -1.174 -9.505 1.00 16.32 H new ATOM 0 HG1 THR B 73 21.266 -0.226 -8.404 1.00 16.09 H new ATOM 0 HG21 THR B 73 23.672 1.058 -10.246 1.00 16.16 H new ATOM 0 HG22 THR B 73 23.782 -0.165 -11.535 1.00 16.16 H new ATOM 0 HG23 THR B 73 22.455 1.021 -11.543 1.00 16.16 H new ATOM 884 N LEU B 74 23.011 -3.211 -11.511 1.00 18.97 N ATOM 885 CA LEU B 74 23.896 -3.968 -12.388 1.00 19.48 C ATOM 886 C LEU B 74 23.100 -4.696 -13.466 1.00 22.08 C ATOM 887 O LEU B 74 23.490 -4.714 -14.634 1.00 22.93 O ATOM 888 CB LEU B 74 24.717 -4.971 -11.576 1.00 17.78 C ATOM 889 CG LEU B 74 25.761 -4.351 -10.646 1.00 16.49 C ATOM 890 CD1 LEU B 74 26.214 -5.360 -9.602 1.00 17.36 C ATOM 891 CD2 LEU B 74 26.949 -3.840 -11.446 1.00 14.41 C ATOM 0 H LEU B 74 23.000 -3.533 -10.543 1.00 18.97 H new ATOM 0 HA LEU B 74 24.573 -3.266 -12.875 1.00 19.48 H new ATOM 0 HB2 LEU B 74 24.035 -5.577 -10.979 1.00 17.78 H new ATOM 0 HB3 LEU B 74 25.223 -5.646 -12.266 1.00 17.78 H new ATOM 0 HG LEU B 74 25.304 -3.507 -10.130 1.00 16.49 H new ATOM 0 HD11 LEU B 74 26.957 -4.900 -8.950 1.00 17.36 H new ATOM 0 HD12 LEU B 74 25.357 -5.679 -9.008 1.00 17.36 H new ATOM 0 HD13 LEU B 74 26.653 -6.225 -10.099 1.00 17.36 H new ATOM 0 HD21 LEU B 74 27.682 -3.402 -10.769 1.00 14.41 H new ATOM 0 HD22 LEU B 74 27.405 -4.668 -11.989 1.00 14.41 H new ATOM 0 HD23 LEU B 74 26.612 -3.083 -12.155 1.00 14.41 H new ATOM 903 N LYS B 75 21.982 -5.295 -13.067 1.00 23.41 N ATOM 904 CA LYS B 75 21.129 -6.023 -14.002 1.00 26.02 C ATOM 905 C LYS B 75 20.825 -5.171 -15.228 1.00 27.70 C ATOM 906 O LYS B 75 20.822 -5.663 -16.356 1.00 29.67 O ATOM 907 CB LYS B 75 19.824 -6.437 -13.318 1.00 26.48 C ATOM 908 CG LYS B 75 19.584 -7.939 -13.318 1.00 26.46 C ATOM 909 CD LYS B 75 18.490 -8.327 -12.337 1.00 26.42 C ATOM 910 CE LYS B 75 17.127 -7.838 -12.800 1.00 28.33 C ATOM 911 NZ LYS B 75 16.758 -6.541 -12.166 1.00 26.94 N ATOM 0 H LYS B 75 21.646 -5.291 -12.104 1.00 23.41 H new ATOM 0 HA LYS B 75 21.661 -6.918 -14.323 1.00 26.02 H new ATOM 0 HB2 LYS B 75 19.834 -6.080 -12.288 1.00 26.48 H new ATOM 0 HB3 LYS B 75 18.990 -5.945 -13.818 1.00 26.48 H new ATOM 0 HG2 LYS B 75 19.307 -8.265 -14.321 1.00 26.46 H new ATOM 0 HG3 LYS B 75 20.508 -8.456 -13.058 1.00 26.46 H new ATOM 0 HD2 LYS B 75 18.469 -9.411 -12.223 1.00 26.42 H new ATOM 0 HD3 LYS B 75 18.714 -7.908 -11.356 1.00 26.42 H new ATOM 0 HE2 LYS B 75 17.131 -7.724 -13.884 1.00 28.33 H new ATOM 0 HE3 LYS B 75 16.372 -8.587 -12.561 1.00 28.33 H new ATOM 0 HZ1 LYS B 75 15.723 -6.468 -12.103 1.00 26.94 H new ATOM 0 HZ2 LYS B 75 17.168 -6.492 -11.211 1.00 26.94 H new ATOM 0 HZ3 LYS B 75 17.126 -5.756 -12.741 1.00 26.94 H new ATOM 925 N ASP B 76 20.576 -3.887 -14.996 1.00 27.15 N ATOM 926 CA ASP B 76 20.276 -2.958 -16.073 1.00 28.97 C ATOM 927 C ASP B 76 21.556 -2.508 -16.768 1.00 29.11 C ATOM 928 O ASP B 76 21.560 -2.225 -17.966 1.00 31.12 O ATOM 929 CB ASP B 76 19.521 -1.743 -15.533 1.00 28.57 C ATOM 930 CG ASP B 76 19.180 -0.742 -16.620 1.00 28.85 C ATOM 931 OD1 ASP B 76 18.797 -1.177 -17.727 1.00 28.74 O ATOM 932 OD2 ASP B 76 19.296 0.474 -16.364 1.00 29.34 O ATOM 0 H ASP B 76 20.577 -3.467 -14.067 1.00 27.15 H new ATOM 0 HA ASP B 76 19.647 -3.471 -16.800 1.00 28.97 H new ATOM 0 HB2 ASP B 76 18.603 -2.075 -15.049 1.00 28.57 H new ATOM 0 HB3 ASP B 76 20.125 -1.254 -14.769 1.00 28.57 H new ATOM 937 N LEU B 77 22.642 -2.447 -16.006 1.00 27.02 N ATOM 938 CA LEU B 77 23.933 -2.035 -16.540 1.00 26.94 C ATOM 939 C LEU B 77 24.392 -2.984 -17.643 1.00 28.81 C ATOM 940 O LEU B 77 24.972 -2.558 -18.642 1.00 29.81 O ATOM 941 CB LEU B 77 24.973 -1.988 -15.421 1.00 24.57 C ATOM 942 CG LEU B 77 24.950 -0.718 -14.570 1.00 23.83 C ATOM 943 CD1 LEU B 77 25.943 -0.826 -13.423 1.00 21.89 C ATOM 944 CD2 LEU B 77 25.252 0.502 -15.427 1.00 25.34 C ATOM 0 H LEU B 77 22.653 -2.679 -15.013 1.00 27.02 H new ATOM 0 HA LEU B 77 23.825 -1.039 -16.968 1.00 26.94 H new ATOM 0 HB2 LEU B 77 24.821 -2.848 -14.768 1.00 24.57 H new ATOM 0 HB3 LEU B 77 25.964 -2.094 -15.862 1.00 24.57 H new ATOM 0 HG LEU B 77 23.951 -0.603 -14.148 1.00 23.83 H new ATOM 0 HD11 LEU B 77 25.913 0.087 -12.828 1.00 21.89 H new ATOM 0 HD12 LEU B 77 25.682 -1.677 -12.794 1.00 21.89 H new ATOM 0 HD13 LEU B 77 26.947 -0.965 -13.823 1.00 21.89 H new ATOM 0 HD21 LEU B 77 25.232 1.397 -14.806 1.00 25.34 H new ATOM 0 HD22 LEU B 77 26.239 0.395 -15.877 1.00 25.34 H new ATOM 0 HD23 LEU B 77 24.502 0.589 -16.213 1.00 25.34 H new ATOM 956 N TYR B 78 24.125 -4.272 -17.455 1.00 29.46 N ATOM 957 CA TYR B 78 24.508 -5.284 -18.433 1.00 31.40 C ATOM 958 C TYR B 78 23.455 -5.402 -19.530 1.00 33.19 C ATOM 959 O TYR B 78 23.781 -5.612 -20.698 1.00 33.82 O ATOM 960 CB TYR B 78 24.700 -6.637 -17.746 1.00 31.97 C ATOM 961 CG TYR B 78 26.111 -6.871 -17.257 1.00 31.83 C ATOM 962 CD1 TYR B 78 27.212 -6.671 -18.108 1.00 32.35 C ATOM 963 CD2 TYR B 78 26.357 -7.294 -15.939 1.00 31.26 C ATOM 964 CE1 TYR B 78 28.518 -6.886 -17.660 1.00 32.38 C ATOM 965 CE2 TYR B 78 27.660 -7.509 -15.483 1.00 31.25 C ATOM 966 CZ TYR B 78 28.736 -7.305 -16.347 1.00 31.85 C ATOM 967 OH TYR B 78 30.021 -7.518 -15.901 1.00 32.00 O ATOM 0 H TYR B 78 23.645 -4.640 -16.634 1.00 29.46 H new ATOM 0 HA TYR B 78 25.450 -4.979 -18.889 1.00 31.40 H new ATOM 0 HB2 TYR B 78 24.015 -6.707 -16.901 1.00 31.97 H new ATOM 0 HB3 TYR B 78 24.429 -7.431 -18.442 1.00 31.97 H new ATOM 0 HD1 TYR B 78 27.046 -6.346 -19.124 1.00 32.35 H new ATOM 0 HD2 TYR B 78 25.526 -7.455 -15.269 1.00 31.26 H new ATOM 0 HE1 TYR B 78 29.354 -6.729 -18.326 1.00 32.38 H new ATOM 0 HE2 TYR B 78 27.833 -7.831 -14.467 1.00 31.25 H new ATOM 0 HH TYR B 78 29.999 -7.805 -14.964 1.00 32.00 H new ATOM 977 N LYS B 79 22.191 -5.265 -19.144 1.00 34.12 N ATOM 978 CA LYS B 79 21.087 -5.356 -20.092 1.00 35.98 C ATOM 979 C LYS B 79 21.156 -4.235 -21.127 1.00 37.32 C ATOM 980 O LYS B 79 20.592 -4.349 -22.215 1.00 37.98 O ATOM 981 CB LYS B 79 19.750 -5.297 -19.351 1.00 35.47 C ATOM 982 CG LYS B 79 19.432 -6.559 -18.566 1.00 35.06 C ATOM 983 CD LYS B 79 18.504 -7.477 -19.343 1.00 36.84 C ATOM 984 CE LYS B 79 17.101 -7.477 -18.756 1.00 36.79 C ATOM 985 NZ LYS B 79 16.323 -8.674 -19.178 1.00 38.51 N ATOM 0 H LYS B 79 21.906 -5.090 -18.180 1.00 34.12 H new ATOM 0 HA LYS B 79 21.169 -6.309 -20.614 1.00 35.98 H new ATOM 0 HB2 LYS B 79 19.760 -4.447 -18.668 1.00 35.47 H new ATOM 0 HB3 LYS B 79 18.952 -5.117 -20.072 1.00 35.47 H new ATOM 0 HG2 LYS B 79 20.357 -7.087 -18.333 1.00 35.06 H new ATOM 0 HG3 LYS B 79 18.970 -6.291 -17.616 1.00 35.06 H new ATOM 0 HD2 LYS B 79 18.464 -7.159 -20.385 1.00 36.84 H new ATOM 0 HD3 LYS B 79 18.903 -8.491 -19.335 1.00 36.84 H new ATOM 0 HE2 LYS B 79 17.163 -7.449 -17.668 1.00 36.79 H new ATOM 0 HE3 LYS B 79 16.576 -6.574 -19.069 1.00 36.79 H new ATOM 0 HZ1 LYS B 79 15.373 -8.637 -18.757 1.00 38.51 H new ATOM 0 HZ2 LYS B 79 16.242 -8.688 -20.215 1.00 38.51 H new ATOM 0 HZ3 LYS B 79 16.810 -9.535 -18.857 1.00 38.51 H new ATOM 1103 N ALA C 55 26.536 12.902 18.770 1.00 34.87 N ATOM 1104 CA ALA C 55 26.051 11.650 18.206 1.00 33.63 C ATOM 1105 C ALA C 55 25.323 11.905 16.891 1.00 31.16 C ATOM 1106 O ALA C 55 25.410 11.108 15.956 1.00 30.42 O ATOM 1107 CB ALA C 55 25.138 10.941 19.193 1.00 33.43 C ATOM 0 HA ALA C 55 26.907 11.006 18.006 1.00 33.63 H new ATOM 0 HB1 ALA C 55 24.784 10.007 18.756 1.00 33.43 H new ATOM 0 HB2 ALA C 55 25.689 10.727 20.109 1.00 33.43 H new ATOM 0 HB3 ALA C 55 24.285 11.580 19.423 1.00 33.43 H new ATOM 1113 N GLU C 56 24.617 13.029 16.823 1.00 29.96 N ATOM 1114 CA GLU C 56 23.885 13.400 15.618 1.00 27.74 C ATOM 1115 C GLU C 56 24.855 13.803 14.517 1.00 28.47 C ATOM 1116 O GLU C 56 24.832 13.251 13.417 1.00 28.76 O ATOM 1117 CB GLU C 56 22.918 14.549 15.915 1.00 26.63 C ATOM 1118 CG GLU C 56 21.813 14.699 14.880 1.00 25.88 C ATOM 1119 CD GLU C 56 21.111 16.040 14.969 1.00 25.98 C ATOM 1120 OE1 GLU C 56 20.783 16.466 16.096 1.00 27.64 O ATOM 1121 OE2 GLU C 56 20.889 16.665 13.910 1.00 24.58 O ATOM 0 H GLU C 56 24.536 13.699 17.588 1.00 29.96 H new ATOM 0 HA GLU C 56 23.309 12.538 15.281 1.00 27.74 H new ATOM 0 HB2 GLU C 56 22.467 14.389 16.895 1.00 26.63 H new ATOM 0 HB3 GLU C 56 23.481 15.481 15.971 1.00 26.63 H new ATOM 0 HG2 GLU C 56 22.236 14.579 13.882 1.00 25.88 H new ATOM 0 HG3 GLU C 56 21.083 13.901 15.015 1.00 25.88 H new ATOM 1128 N ARG C 57 25.718 14.763 14.828 1.00 28.92 N ATOM 1129 CA ARG C 57 26.712 15.236 13.875 1.00 29.91 C ATOM 1130 C ARG C 57 27.637 14.096 13.468 1.00 28.79 C ATOM 1131 O ARG C 57 28.000 13.961 12.300 1.00 28.93 O ATOM 1132 CB ARG C 57 27.527 16.383 14.478 1.00 31.81 C ATOM 1133 CG ARG C 57 26.869 17.744 14.320 1.00 31.62 C ATOM 1134 CD ARG C 57 26.834 18.502 15.637 1.00 33.49 C ATOM 1135 NE ARG C 57 28.142 19.049 15.989 1.00 35.27 N ATOM 1136 CZ ARG C 57 28.718 20.055 15.339 1.00 35.26 C ATOM 1137 NH1 ARG C 57 28.102 20.623 14.311 1.00 33.58 N ATOM 1138 NH2 ARG C 57 29.911 20.495 15.717 1.00 37.01 N ATOM 0 H ARG C 57 25.749 15.229 15.735 1.00 28.92 H new ATOM 0 HA ARG C 57 26.194 15.603 12.989 1.00 29.91 H new ATOM 0 HB2 ARG C 57 27.686 16.186 15.538 1.00 31.81 H new ATOM 0 HB3 ARG C 57 28.510 16.407 14.007 1.00 31.81 H new ATOM 0 HG2 ARG C 57 27.412 18.328 13.577 1.00 31.62 H new ATOM 0 HG3 ARG C 57 25.853 17.617 13.945 1.00 31.62 H new ATOM 0 HD2 ARG C 57 26.108 19.313 15.569 1.00 33.49 H new ATOM 0 HD3 ARG C 57 26.495 17.836 16.430 1.00 33.49 H new ATOM 0 HE ARG C 57 28.641 18.636 16.777 1.00 35.27 H new ATOM 0 HH11 ARG C 57 27.184 20.288 14.018 1.00 33.58 H new ATOM 0 HH12 ARG C 57 28.546 21.395 13.814 1.00 33.58 H new ATOM 0 HH21 ARG C 57 30.388 20.061 16.508 1.00 37.01 H new ATOM 0 HH22 ARG C 57 30.352 21.267 15.217 1.00 37.01 H new ATOM 1152 N LEU C 58 28.008 13.274 14.444 1.00 27.85 N ATOM 1153 CA LEU C 58 28.884 12.135 14.196 1.00 26.76 C ATOM 1154 C LEU C 58 28.237 11.157 13.222 1.00 23.93 C ATOM 1155 O LEU C 58 28.831 10.788 12.208 1.00 23.53 O ATOM 1156 CB LEU C 58 29.211 11.419 15.507 1.00 27.58 C ATOM 1157 CG LEU C 58 30.343 12.044 16.324 1.00 29.74 C ATOM 1158 CD1 LEU C 58 30.658 11.188 17.540 1.00 29.24 C ATOM 1159 CD2 LEU C 58 31.583 12.224 15.462 1.00 31.10 C ATOM 0 H LEU C 58 27.715 13.376 15.416 1.00 27.85 H new ATOM 0 HA LEU C 58 29.807 12.509 13.754 1.00 26.76 H new ATOM 0 HB2 LEU C 58 28.312 11.393 16.122 1.00 27.58 H new ATOM 0 HB3 LEU C 58 29.474 10.385 15.282 1.00 27.58 H new ATOM 0 HG LEU C 58 30.018 13.025 16.670 1.00 29.74 H new ATOM 0 HD11 LEU C 58 31.466 11.648 18.109 1.00 29.24 H new ATOM 0 HD12 LEU C 58 29.771 11.108 18.168 1.00 29.24 H new ATOM 0 HD13 LEU C 58 30.964 10.193 17.215 1.00 29.24 H new ATOM 0 HD21 LEU C 58 32.379 12.670 16.058 1.00 31.10 H new ATOM 0 HD22 LEU C 58 31.910 11.254 15.088 1.00 31.10 H new ATOM 0 HD23 LEU C 58 31.350 12.878 14.621 1.00 31.10 H new ATOM 1171 N ALA C 59 27.013 10.742 13.536 1.00 22.01 N ATOM 1172 CA ALA C 59 26.281 9.806 12.693 1.00 19.22 C ATOM 1173 C ALA C 59 26.300 10.251 11.234 1.00 18.58 C ATOM 1174 O ALA C 59 26.258 9.424 10.322 1.00 18.83 O ATOM 1175 CB ALA C 59 24.849 9.661 13.186 1.00 18.13 C ATOM 0 H ALA C 59 26.508 11.041 14.370 1.00 22.01 H new ATOM 0 HA ALA C 59 26.774 8.836 12.755 1.00 19.22 H new ATOM 0 HB1 ALA C 59 24.314 8.959 12.547 1.00 18.13 H new ATOM 0 HB2 ALA C 59 24.853 9.289 14.211 1.00 18.13 H new ATOM 0 HB3 ALA C 59 24.353 10.631 13.154 1.00 18.13 H new ATOM 1181 N ASP C 60 26.370 11.561 11.020 1.00 17.89 N ATOM 1182 CA ASP C 60 26.401 12.113 9.670 1.00 17.35 C ATOM 1183 C ASP C 60 27.812 12.048 9.095 1.00 17.23 C ATOM 1184 O ASP C 60 27.996 11.947 7.882 1.00 16.53 O ATOM 1185 CB ASP C 60 25.903 13.560 9.672 1.00 17.25 C ATOM 1186 CG ASP C 60 25.224 13.937 8.370 1.00 17.84 C ATOM 1187 OD1 ASP C 60 25.941 14.192 7.379 1.00 19.52 O ATOM 1188 OD2 ASP C 60 23.977 13.979 8.341 1.00 16.85 O ATOM 0 H ASP C 60 26.406 12.259 11.763 1.00 17.89 H new ATOM 0 HA ASP C 60 25.741 11.514 9.043 1.00 17.35 H new ATOM 0 HB2 ASP C 60 25.205 13.700 10.497 1.00 17.25 H new ATOM 0 HB3 ASP C 60 26.744 14.231 9.848 1.00 17.25 H new ATOM 1193 N GLU C 61 28.806 12.104 9.977 1.00 18.10 N ATOM 1194 CA GLU C 61 30.202 12.048 9.561 1.00 18.11 C ATOM 1195 C GLU C 61 30.610 10.616 9.237 1.00 18.49 C ATOM 1196 O GLU C 61 31.220 10.351 8.201 1.00 18.56 O ATOM 1197 CB GLU C 61 31.105 12.613 10.659 1.00 18.29 C ATOM 1198 CG GLU C 61 31.841 13.878 10.251 1.00 19.72 C ATOM 1199 CD GLU C 61 32.400 14.635 11.440 1.00 19.92 C ATOM 1200 OE1 GLU C 61 31.807 14.540 12.536 1.00 20.14 O ATOM 1201 OE2 GLU C 61 33.430 15.321 11.275 1.00 19.94 O ATOM 0 H GLU C 61 28.669 12.188 10.984 1.00 18.10 H new ATOM 0 HA GLU C 61 30.315 12.653 8.662 1.00 18.11 H new ATOM 0 HB2 GLU C 61 30.501 12.823 11.542 1.00 18.29 H new ATOM 0 HB3 GLU C 61 31.834 11.855 10.944 1.00 18.29 H new ATOM 0 HG2 GLU C 61 32.655 13.618 9.575 1.00 19.72 H new ATOM 0 HG3 GLU C 61 31.162 14.527 9.698 1.00 19.72 H new ATOM 1208 N GLN C 62 30.267 9.699 10.133 1.00 18.89 N ATOM 1209 CA GLN C 62 30.593 8.289 9.951 1.00 19.43 C ATOM 1210 C GLN C 62 29.967 7.750 8.669 1.00 18.65 C ATOM 1211 O GLN C 62 30.621 7.054 7.892 1.00 19.70 O ATOM 1212 CB GLN C 62 30.110 7.475 11.152 1.00 18.91 C ATOM 1213 CG GLN C 62 30.648 7.976 12.482 1.00 20.88 C ATOM 1214 CD GLN C 62 32.157 8.109 12.488 1.00 21.11 C ATOM 1215 OE1 GLN C 62 32.847 7.515 11.659 1.00 21.42 O ATOM 1216 NE2 GLN C 62 32.679 8.890 13.425 1.00 20.97 N ATOM 0 H GLN C 62 29.762 9.906 10.995 1.00 18.89 H new ATOM 0 HA GLN C 62 31.676 8.197 9.872 1.00 19.43 H new ATOM 0 HB2 GLN C 62 29.021 7.495 11.179 1.00 18.91 H new ATOM 0 HB3 GLN C 62 30.406 6.435 11.018 1.00 18.91 H new ATOM 0 HG2 GLN C 62 30.201 8.944 12.709 1.00 20.88 H new ATOM 0 HG3 GLN C 62 30.344 7.291 13.274 1.00 20.88 H new ATOM 0 HE21 GLN C 62 32.070 9.363 14.092 1.00 20.97 H new ATOM 0 HE22 GLN C 62 33.690 9.017 13.478 1.00 20.97 H new ATOM 1225 N SER C 63 28.698 8.078 8.454 1.00 16.96 N ATOM 1226 CA SER C 63 27.984 7.630 7.265 1.00 16.31 C ATOM 1227 C SER C 63 28.636 8.185 6.004 1.00 16.28 C ATOM 1228 O SER C 63 28.683 7.516 4.971 1.00 14.88 O ATOM 1229 CB SER C 63 26.519 8.062 7.330 1.00 17.00 C ATOM 1230 OG SER C 63 26.394 9.466 7.188 1.00 18.30 O ATOM 0 H SER C 63 28.143 8.653 9.088 1.00 16.96 H new ATOM 0 HA SER C 63 28.030 6.542 7.230 1.00 16.31 H new ATOM 0 HB2 SER C 63 25.954 7.562 6.543 1.00 17.00 H new ATOM 0 HB3 SER C 63 26.086 7.750 8.280 1.00 17.00 H new ATOM 0 HG SER C 63 27.157 9.907 7.616 1.00 18.30 H new ATOM 1236 N GLU C 64 29.140 9.411 6.096 1.00 17.99 N ATOM 1237 CA GLU C 64 29.792 10.056 4.962 1.00 18.31 C ATOM 1238 C GLU C 64 30.973 9.224 4.474 1.00 16.94 C ATOM 1239 O GLU C 64 31.215 9.117 3.271 1.00 15.96 O ATOM 1240 CB GLU C 64 30.262 11.459 5.347 1.00 20.41 C ATOM 1241 CG GLU C 64 30.471 12.379 4.155 1.00 20.48 C ATOM 1242 CD GLU C 64 30.504 13.843 4.547 1.00 22.92 C ATOM 1243 OE1 GLU C 64 29.685 14.247 5.398 1.00 24.01 O ATOM 1244 OE2 GLU C 64 31.349 14.585 4.002 1.00 23.91 O ATOM 0 H GLU C 64 29.110 9.978 6.944 1.00 17.99 H new ATOM 0 HA GLU C 64 29.067 10.136 4.152 1.00 18.31 H new ATOM 0 HB2 GLU C 64 29.529 11.908 6.017 1.00 20.41 H new ATOM 0 HB3 GLU C 64 31.196 11.380 5.903 1.00 20.41 H new ATOM 0 HG2 GLU C 64 31.406 12.118 3.659 1.00 20.48 H new ATOM 0 HG3 GLU C 64 29.671 12.218 3.432 1.00 20.48 H new ATOM 1251 N LEU C 65 31.703 8.636 5.415 1.00 16.92 N ATOM 1252 CA LEU C 65 32.859 7.810 5.082 1.00 15.74 C ATOM 1253 C LEU C 65 32.431 6.579 4.290 1.00 13.67 C ATOM 1254 O LEU C 65 33.053 6.225 3.288 1.00 13.66 O ATOM 1255 CB LEU C 65 33.591 7.384 6.356 1.00 16.48 C ATOM 1256 CG LEU C 65 34.484 8.457 6.981 1.00 18.25 C ATOM 1257 CD1 LEU C 65 34.332 8.463 8.494 1.00 17.61 C ATOM 1258 CD2 LEU C 65 35.937 8.234 6.590 1.00 20.20 C ATOM 0 H LEU C 65 31.515 8.716 6.414 1.00 16.92 H new ATOM 0 HA LEU C 65 33.536 8.402 4.465 1.00 15.74 H new ATOM 0 HB2 LEU C 65 32.852 7.073 7.094 1.00 16.48 H new ATOM 0 HB3 LEU C 65 34.203 6.511 6.130 1.00 16.48 H new ATOM 0 HG LEU C 65 34.171 9.430 6.602 1.00 18.25 H new ATOM 0 HD11 LEU C 65 34.975 9.233 8.921 1.00 17.61 H new ATOM 0 HD12 LEU C 65 33.294 8.671 8.755 1.00 17.61 H new ATOM 0 HD13 LEU C 65 34.618 7.489 8.892 1.00 17.61 H new ATOM 0 HD21 LEU C 65 36.558 9.006 7.043 1.00 20.20 H new ATOM 0 HD22 LEU C 65 36.262 7.255 6.941 1.00 20.20 H new ATOM 0 HD23 LEU C 65 36.033 8.281 5.505 1.00 20.20 H new ATOM 1270 N VAL C 66 31.364 5.932 4.747 1.00 12.45 N ATOM 1271 CA VAL C 66 30.850 4.741 4.082 1.00 10.81 C ATOM 1272 C VAL C 66 30.347 5.074 2.682 1.00 8.49 C ATOM 1273 O VAL C 66 30.565 4.316 1.736 1.00 8.56 O ATOM 1274 CB VAL C 66 29.705 4.099 4.887 1.00 11.49 C ATOM 1275 CG1 VAL C 66 29.254 2.802 4.234 1.00 10.53 C ATOM 1276 CG2 VAL C 66 30.135 3.859 6.328 1.00 14.00 C ATOM 0 H VAL C 66 30.839 6.213 5.575 1.00 12.45 H new ATOM 0 HA VAL C 66 31.676 4.033 4.013 1.00 10.81 H new ATOM 0 HB VAL C 66 28.860 4.787 4.894 1.00 11.49 H new ATOM 0 HG11 VAL C 66 28.444 2.363 4.817 1.00 10.53 H new ATOM 0 HG12 VAL C 66 28.903 3.007 3.223 1.00 10.53 H new ATOM 0 HG13 VAL C 66 30.091 2.105 4.193 1.00 10.53 H new ATOM 0 HG21 VAL C 66 29.313 3.405 6.882 1.00 14.00 H new ATOM 0 HG22 VAL C 66 30.996 3.191 6.344 1.00 14.00 H new ATOM 0 HG23 VAL C 66 30.403 4.809 6.791 1.00 14.00 H new ATOM 1286 N LYS C 67 29.676 6.213 2.558 1.00 7.15 N ATOM 1287 CA LYS C 67 29.143 6.651 1.273 1.00 5.26 C ATOM 1288 C LYS C 67 30.264 6.816 0.254 1.00 6.94 C ATOM 1289 O LYS C 67 30.194 6.282 -0.853 1.00 7.66 O ATOM 1290 CB LYS C 67 28.380 7.967 1.443 1.00 4.96 C ATOM 1291 CG LYS C 67 27.967 8.615 0.131 1.00 4.23 C ATOM 1292 CD LYS C 67 27.568 10.068 0.331 1.00 3.59 C ATOM 1293 CE LYS C 67 27.757 10.877 -0.942 1.00 3.77 C ATOM 1294 NZ LYS C 67 26.920 12.109 -0.948 1.00 4.88 N ATOM 0 H LYS C 67 29.488 6.850 3.332 1.00 7.15 H new ATOM 0 HA LYS C 67 28.456 5.890 0.904 1.00 5.26 H new ATOM 0 HB2 LYS C 67 27.488 7.784 2.043 1.00 4.96 H new ATOM 0 HB3 LYS C 67 29.002 8.666 2.002 1.00 4.96 H new ATOM 0 HG2 LYS C 67 28.791 8.557 -0.580 1.00 4.23 H new ATOM 0 HG3 LYS C 67 27.133 8.063 -0.302 1.00 4.23 H new ATOM 0 HD2 LYS C 67 26.526 10.120 0.645 1.00 3.59 H new ATOM 0 HD3 LYS C 67 28.165 10.504 1.132 1.00 3.59 H new ATOM 0 HE2 LYS C 67 28.807 11.151 -1.045 1.00 3.77 H new ATOM 0 HE3 LYS C 67 27.502 10.261 -1.804 1.00 3.77 H new ATOM 0 HZ1 LYS C 67 27.078 12.632 -1.833 1.00 4.88 H new ATOM 0 HZ2 LYS C 67 25.916 11.847 -0.875 1.00 4.88 H new ATOM 0 HZ3 LYS C 67 27.180 12.709 -0.140 1.00 4.88 H new ATOM 1308 N LYS C 68 31.300 7.557 0.634 1.00 8.37 N ATOM 1309 CA LYS C 68 32.437 7.785 -0.249 1.00 10.45 C ATOM 1310 C LYS C 68 33.031 6.459 -0.710 1.00 10.61 C ATOM 1311 O LYS C 68 33.441 6.316 -1.862 1.00 12.31 O ATOM 1312 CB LYS C 68 33.506 8.620 0.459 1.00 12.80 C ATOM 1313 CG LYS C 68 33.897 9.878 -0.299 1.00 15.18 C ATOM 1314 CD LYS C 68 35.321 10.303 0.023 1.00 15.88 C ATOM 1315 CE LYS C 68 35.439 10.822 1.446 1.00 15.33 C ATOM 1316 NZ LYS C 68 36.860 10.969 1.867 1.00 16.78 N ATOM 0 H LYS C 68 31.375 8.009 1.545 1.00 8.37 H new ATOM 0 HA LYS C 68 32.085 8.333 -1.123 1.00 10.45 H new ATOM 0 HB2 LYS C 68 33.141 8.900 1.447 1.00 12.80 H new ATOM 0 HB3 LYS C 68 34.394 8.006 0.610 1.00 12.80 H new ATOM 0 HG2 LYS C 68 33.802 9.703 -1.371 1.00 15.18 H new ATOM 0 HG3 LYS C 68 33.209 10.685 -0.046 1.00 15.18 H new ATOM 0 HD2 LYS C 68 35.994 9.457 -0.114 1.00 15.88 H new ATOM 0 HD3 LYS C 68 35.637 11.078 -0.675 1.00 15.88 H new ATOM 0 HE2 LYS C 68 34.936 11.786 1.524 1.00 15.33 H new ATOM 0 HE3 LYS C 68 34.928 10.140 2.125 1.00 15.33 H new ATOM 0 HZ1 LYS C 68 36.898 11.325 2.843 1.00 16.78 H new ATOM 0 HZ2 LYS C 68 37.334 10.045 1.817 1.00 16.78 H new ATOM 0 HZ3 LYS C 68 37.342 11.640 1.235 1.00 16.78 H new ATOM 1330 N MET C 69 33.066 5.488 0.197 1.00 8.86 N ATOM 1331 CA MET C 69 33.602 4.170 -0.114 1.00 8.83 C ATOM 1332 C MET C 69 32.766 3.493 -1.197 1.00 7.39 C ATOM 1333 O MET C 69 33.302 2.836 -2.089 1.00 6.46 O ATOM 1334 CB MET C 69 33.635 3.299 1.144 1.00 8.61 C ATOM 1335 CG MET C 69 34.285 1.942 0.928 1.00 7.42 C ATOM 1336 SD MET C 69 34.256 0.914 2.410 1.00 8.56 S ATOM 1337 CE MET C 69 32.496 0.847 2.741 1.00 8.80 C ATOM 0 H MET C 69 32.729 5.591 1.154 1.00 8.86 H new ATOM 0 HA MET C 69 34.620 4.293 -0.485 1.00 8.83 H new ATOM 0 HB2 MET C 69 34.174 3.830 1.929 1.00 8.61 H new ATOM 0 HB3 MET C 69 32.616 3.152 1.501 1.00 8.61 H new ATOM 0 HG2 MET C 69 33.771 1.422 0.120 1.00 7.42 H new ATOM 0 HG3 MET C 69 35.318 2.085 0.610 1.00 7.42 H new ATOM 0 HE1 MET C 69 32.261 -0.073 3.276 1.00 8.80 H new ATOM 0 HE2 MET C 69 32.207 1.704 3.349 1.00 8.80 H new ATOM 0 HE3 MET C 69 31.948 0.869 1.799 1.00 8.80 H new ATOM 1347 N VAL C 70 31.450 3.663 -1.113 1.00 8.00 N ATOM 1348 CA VAL C 70 30.541 3.075 -2.084 1.00 8.20 C ATOM 1349 C VAL C 70 30.625 3.813 -3.415 1.00 9.11 C ATOM 1350 O VAL C 70 30.708 3.190 -4.473 1.00 9.13 O ATOM 1351 CB VAL C 70 29.083 3.071 -1.555 1.00 8.18 C ATOM 1352 CG1 VAL C 70 28.067 2.836 -2.669 1.00 8.99 C ATOM 1353 CG2 VAL C 70 28.932 2.018 -0.474 1.00 5.99 C ATOM 0 H VAL C 70 30.991 4.204 -0.380 1.00 8.00 H new ATOM 0 HA VAL C 70 30.845 2.040 -2.242 1.00 8.20 H new ATOM 0 HB VAL C 70 28.879 4.057 -1.137 1.00 8.18 H new ATOM 0 HG11 VAL C 70 27.061 2.842 -2.251 1.00 8.99 H new ATOM 0 HG12 VAL C 70 28.155 3.627 -3.414 1.00 8.99 H new ATOM 0 HG13 VAL C 70 28.259 1.872 -3.139 1.00 8.99 H new ATOM 0 HG21 VAL C 70 27.906 2.019 -0.106 1.00 5.99 H new ATOM 0 HG22 VAL C 70 29.168 1.037 -0.886 1.00 5.99 H new ATOM 0 HG23 VAL C 70 29.613 2.240 0.348 1.00 5.99 H new ATOM 1363 N PHE C 71 30.614 5.141 -3.361 1.00 10.43 N ATOM 1364 CA PHE C 71 30.703 5.941 -4.574 1.00 11.57 C ATOM 1365 C PHE C 71 31.893 5.485 -5.412 1.00 11.24 C ATOM 1366 O PHE C 71 31.722 4.836 -6.442 1.00 10.86 O ATOM 1367 CB PHE C 71 30.834 7.429 -4.238 1.00 13.50 C ATOM 1368 CG PHE C 71 31.146 8.287 -5.434 1.00 15.32 C ATOM 1369 CD1 PHE C 71 30.344 8.227 -6.583 1.00 16.25 C ATOM 1370 CD2 PHE C 71 32.248 9.153 -5.422 1.00 16.58 C ATOM 1371 CE1 PHE C 71 30.637 9.017 -7.699 1.00 18.18 C ATOM 1372 CE2 PHE C 71 32.545 9.946 -6.534 1.00 18.59 C ATOM 1373 CZ PHE C 71 31.739 9.878 -7.674 1.00 19.30 C ATOM 0 H PHE C 71 30.545 5.681 -2.498 1.00 10.43 H new ATOM 0 HA PHE C 71 29.787 5.801 -5.147 1.00 11.57 H new ATOM 0 HB2 PHE C 71 29.905 7.775 -3.785 1.00 13.50 H new ATOM 0 HB3 PHE C 71 31.619 7.558 -3.493 1.00 13.50 H new ATOM 0 HD1 PHE C 71 29.492 7.564 -6.606 1.00 16.25 H new ATOM 0 HD2 PHE C 71 32.874 9.208 -4.544 1.00 16.58 H new ATOM 0 HE1 PHE C 71 30.013 8.962 -8.579 1.00 18.18 H new ATOM 0 HE2 PHE C 71 33.396 10.610 -6.512 1.00 18.59 H new ATOM 0 HZ PHE C 71 31.967 10.490 -8.534 1.00 19.30 H new ATOM 1383 N ASP C 72 33.096 5.815 -4.953 1.00 11.66 N ATOM 1384 CA ASP C 72 34.319 5.429 -5.653 1.00 11.41 C ATOM 1385 C ASP C 72 34.255 3.973 -6.107 1.00 9.74 C ATOM 1386 O ASP C 72 34.771 3.619 -7.167 1.00 10.02 O ATOM 1387 CB ASP C 72 35.536 5.638 -4.749 1.00 12.03 C ATOM 1388 CG ASP C 72 36.253 6.944 -5.029 1.00 13.98 C ATOM 1389 OD1 ASP C 72 36.526 7.230 -6.214 1.00 14.73 O ATOM 1390 OD2 ASP C 72 36.541 7.681 -4.063 1.00 14.99 O ATOM 0 H ASP C 72 33.252 6.350 -4.098 1.00 11.66 H new ATOM 0 HA ASP C 72 34.415 6.061 -6.536 1.00 11.41 H new ATOM 0 HB2 ASP C 72 35.217 5.619 -3.707 1.00 12.03 H new ATOM 0 HB3 ASP C 72 36.231 4.810 -4.885 1.00 12.03 H new ATOM 1395 N THR C 73 33.607 3.133 -5.302 1.00 8.46 N ATOM 1396 CA THR C 73 33.471 1.722 -5.630 1.00 7.00 C ATOM 1397 C THR C 73 32.560 1.550 -6.841 1.00 8.24 C ATOM 1398 O THR C 73 33.020 1.245 -7.941 1.00 8.52 O ATOM 1399 CB THR C 73 32.913 0.946 -4.430 1.00 4.89 C ATOM 1400 OG1 THR C 73 33.882 0.851 -3.403 1.00 3.12 O ATOM 1401 CG2 THR C 73 32.462 -0.464 -4.769 1.00 5.05 C ATOM 0 H THR C 73 33.171 3.407 -4.422 1.00 8.46 H new ATOM 0 HA THR C 73 34.456 1.323 -5.873 1.00 7.00 H new ATOM 0 HB THR C 73 32.041 1.514 -4.106 1.00 4.89 H new ATOM 0 HG1 THR C 73 33.903 1.689 -2.895 1.00 3.12 H new ATOM 0 HG21 THR C 73 32.080 -0.950 -3.871 1.00 5.05 H new ATOM 0 HG22 THR C 73 31.675 -0.423 -5.522 1.00 5.05 H new ATOM 0 HG23 THR C 73 33.307 -1.033 -5.158 1.00 5.05 H new ATOM 1409 N LEU C 74 31.264 1.751 -6.629 1.00 9.29 N ATOM 1410 CA LEU C 74 30.288 1.621 -7.704 1.00 11.07 C ATOM 1411 C LEU C 74 30.701 2.440 -8.922 1.00 12.26 C ATOM 1412 O LEU C 74 30.418 2.064 -10.059 1.00 13.39 O ATOM 1413 CB LEU C 74 28.908 2.059 -7.219 1.00 11.12 C ATOM 1414 CG LEU C 74 28.360 1.261 -6.035 1.00 10.97 C ATOM 1415 CD1 LEU C 74 26.879 1.542 -5.849 1.00 13.46 C ATOM 1416 CD2 LEU C 74 28.599 -0.229 -6.237 1.00 9.78 C ATOM 0 H LEU C 74 30.866 2.004 -5.725 1.00 9.29 H new ATOM 0 HA LEU C 74 30.246 0.572 -7.998 1.00 11.07 H new ATOM 0 HB2 LEU C 74 28.954 3.111 -6.939 1.00 11.12 H new ATOM 0 HB3 LEU C 74 28.205 1.980 -8.048 1.00 11.12 H new ATOM 0 HG LEU C 74 28.888 1.573 -5.134 1.00 10.97 H new ATOM 0 HD11 LEU C 74 26.503 0.967 -5.003 1.00 13.46 H new ATOM 0 HD12 LEU C 74 26.731 2.605 -5.660 1.00 13.46 H new ATOM 0 HD13 LEU C 74 26.338 1.256 -6.751 1.00 13.46 H new ATOM 0 HD21 LEU C 74 28.202 -0.780 -5.384 1.00 9.78 H new ATOM 0 HD22 LEU C 74 28.097 -0.558 -7.147 1.00 9.78 H new ATOM 0 HD23 LEU C 74 29.669 -0.417 -6.325 1.00 9.78 H new ATOM 1428 N LYS C 75 31.374 3.558 -8.678 1.00 12.32 N ATOM 1429 CA LYS C 75 31.829 4.425 -9.760 1.00 13.72 C ATOM 1430 C LYS C 75 32.666 3.638 -10.762 1.00 15.33 C ATOM 1431 O LYS C 75 32.305 3.519 -11.932 1.00 17.44 O ATOM 1432 CB LYS C 75 32.645 5.594 -9.203 1.00 12.35 C ATOM 1433 CG LYS C 75 32.639 6.823 -10.096 1.00 13.40 C ATOM 1434 CD LYS C 75 34.049 7.318 -10.378 1.00 12.58 C ATOM 1435 CE LYS C 75 34.849 7.492 -9.096 1.00 10.91 C ATOM 1436 NZ LYS C 75 35.859 8.579 -9.216 1.00 9.83 N ATOM 0 H LYS C 75 31.617 3.886 -7.743 1.00 12.32 H new ATOM 0 HA LYS C 75 30.951 4.820 -10.271 1.00 13.72 H new ATOM 0 HB2 LYS C 75 32.252 5.866 -8.223 1.00 12.35 H new ATOM 0 HB3 LYS C 75 33.675 5.269 -9.054 1.00 12.35 H new ATOM 0 HG2 LYS C 75 32.141 6.588 -11.036 1.00 13.40 H new ATOM 0 HG3 LYS C 75 32.063 7.616 -9.620 1.00 13.40 H new ATOM 0 HD2 LYS C 75 34.559 6.611 -11.033 1.00 12.58 H new ATOM 0 HD3 LYS C 75 34.002 8.268 -10.910 1.00 12.58 H new ATOM 0 HE2 LYS C 75 34.171 7.716 -8.272 1.00 10.91 H new ATOM 0 HE3 LYS C 75 35.350 6.556 -8.851 1.00 10.91 H new ATOM 0 HZ1 LYS C 75 36.383 8.666 -8.322 1.00 9.83 H new ATOM 0 HZ2 LYS C 75 36.522 8.354 -9.985 1.00 9.83 H new ATOM 0 HZ3 LYS C 75 35.379 9.478 -9.425 1.00 9.83 H new ATOM 1450 N ASP C 76 33.786 3.097 -10.292 1.00 14.48 N ATOM 1451 CA ASP C 76 34.674 2.316 -11.142 1.00 16.05 C ATOM 1452 C ASP C 76 34.025 0.993 -11.531 1.00 17.00 C ATOM 1453 O ASP C 76 34.250 0.475 -12.625 1.00 18.98 O ATOM 1454 CB ASP C 76 36.002 2.056 -10.428 1.00 15.10 C ATOM 1455 CG ASP C 76 37.200 2.460 -11.265 1.00 15.11 C ATOM 1456 OD1 ASP C 76 37.090 3.452 -12.019 1.00 17.03 O ATOM 1457 OD2 ASP C 76 38.246 1.786 -11.168 1.00 13.45 O ATOM 0 H ASP C 76 34.099 3.186 -9.325 1.00 14.48 H new ATOM 0 HA ASP C 76 34.865 2.889 -12.049 1.00 16.05 H new ATOM 0 HB2 ASP C 76 36.018 2.606 -9.487 1.00 15.10 H new ATOM 0 HB3 ASP C 76 36.076 0.997 -10.180 1.00 15.10 H new ATOM 1462 N LEU C 77 33.214 0.451 -10.626 1.00 15.79 N ATOM 1463 CA LEU C 77 32.527 -0.810 -10.870 1.00 16.82 C ATOM 1464 C LEU C 77 31.501 -0.651 -11.989 1.00 19.73 C ATOM 1465 O LEU C 77 31.644 -1.238 -13.062 1.00 21.16 O ATOM 1466 CB LEU C 77 31.864 -1.299 -9.573 1.00 15.55 C ATOM 1467 CG LEU C 77 30.684 -2.264 -9.738 1.00 16.49 C ATOM 1468 CD1 LEU C 77 30.963 -3.277 -10.837 1.00 16.77 C ATOM 1469 CD2 LEU C 77 30.389 -2.972 -8.423 1.00 17.61 C ATOM 0 H LEU C 77 33.018 0.868 -9.716 1.00 15.79 H new ATOM 0 HA LEU C 77 33.252 -1.558 -11.190 1.00 16.82 H new ATOM 0 HB2 LEU C 77 32.624 -1.788 -8.963 1.00 15.55 H new ATOM 0 HB3 LEU C 77 31.519 -0.428 -9.015 1.00 15.55 H new ATOM 0 HG LEU C 77 29.807 -1.684 -10.025 1.00 16.49 H new ATOM 0 HD11 LEU C 77 30.112 -3.951 -10.935 1.00 16.77 H new ATOM 0 HD12 LEU C 77 31.124 -2.755 -11.780 1.00 16.77 H new ATOM 0 HD13 LEU C 77 31.854 -3.852 -10.584 1.00 16.77 H new ATOM 0 HD21 LEU C 77 29.549 -3.653 -8.557 1.00 17.61 H new ATOM 0 HD22 LEU C 77 31.267 -3.536 -8.109 1.00 17.61 H new ATOM 0 HD23 LEU C 77 30.140 -2.234 -7.660 1.00 17.61 H new ATOM 1481 N TYR C 78 30.471 0.150 -11.738 1.00 20.62 N ATOM 1482 CA TYR C 78 29.432 0.387 -12.733 1.00 23.39 C ATOM 1483 C TYR C 78 30.044 0.873 -14.043 1.00 24.12 C ATOM 1484 O TYR C 78 29.475 0.676 -15.117 1.00 25.13 O ATOM 1485 CB TYR C 78 28.418 1.413 -12.221 1.00 24.92 C ATOM 1486 CG TYR C 78 27.576 0.932 -11.056 1.00 25.62 C ATOM 1487 CD1 TYR C 78 27.519 -0.431 -10.708 1.00 25.85 C ATOM 1488 CD2 TYR C 78 26.824 1.843 -10.293 1.00 26.18 C ATOM 1489 CE1 TYR C 78 26.739 -0.869 -9.636 1.00 26.59 C ATOM 1490 CE2 TYR C 78 26.042 1.411 -9.218 1.00 26.94 C ATOM 1491 CZ TYR C 78 26.003 0.055 -8.894 1.00 27.13 C ATOM 1492 OH TYR C 78 25.234 -0.374 -7.838 1.00 27.96 O ATOM 0 H TYR C 78 30.334 0.645 -10.857 1.00 20.62 H new ATOM 0 HA TYR C 78 28.917 -0.556 -12.914 1.00 23.39 H new ATOM 0 HB2 TYR C 78 28.952 2.315 -11.920 1.00 24.92 H new ATOM 0 HB3 TYR C 78 27.756 1.693 -13.041 1.00 24.92 H new ATOM 0 HD1 TYR C 78 28.088 -1.149 -11.280 1.00 25.85 H new ATOM 0 HD2 TYR C 78 26.851 2.894 -10.542 1.00 26.18 H new ATOM 0 HE1 TYR C 78 26.706 -1.918 -9.382 1.00 26.59 H new ATOM 0 HE2 TYR C 78 25.471 2.124 -8.641 1.00 26.94 H new ATOM 0 HH TYR C 78 24.330 -0.004 -7.920 1.00 27.96 H new ATOM 1502 N LYS C 79 31.207 1.509 -13.946 1.00 23.70 N ATOM 1503 CA LYS C 79 31.899 2.025 -15.122 1.00 24.36 C ATOM 1504 C LYS C 79 32.374 0.886 -16.017 1.00 25.17 C ATOM 1505 O LYS C 79 32.280 0.966 -17.242 1.00 25.43 O ATOM 1506 CB LYS C 79 33.086 2.893 -14.703 1.00 22.12 C ATOM 1507 CG LYS C 79 32.806 4.385 -14.781 1.00 22.83 C ATOM 1508 CD LYS C 79 33.837 5.102 -15.638 1.00 23.22 C ATOM 1509 CE LYS C 79 33.376 6.503 -16.007 1.00 23.13 C ATOM 1510 NZ LYS C 79 34.291 7.148 -16.989 1.00 23.61 N ATOM 0 H LYS C 79 31.691 1.680 -13.064 1.00 23.70 H new ATOM 0 HA LYS C 79 31.196 2.636 -15.687 1.00 24.36 H new ATOM 0 HB2 LYS C 79 33.369 2.638 -13.682 1.00 22.12 H new ATOM 0 HB3 LYS C 79 33.940 2.658 -15.339 1.00 22.12 H new ATOM 0 HG2 LYS C 79 31.811 4.548 -15.195 1.00 22.83 H new ATOM 0 HG3 LYS C 79 32.807 4.809 -13.777 1.00 22.83 H new ATOM 0 HD2 LYS C 79 34.783 5.159 -15.100 1.00 23.22 H new ATOM 0 HD3 LYS C 79 34.021 4.527 -16.546 1.00 23.22 H new ATOM 0 HE2 LYS C 79 32.370 6.456 -16.424 1.00 23.13 H new ATOM 0 HE3 LYS C 79 33.319 7.115 -15.107 1.00 23.13 H new ATOM 0 HZ1 LYS C 79 33.942 8.101 -17.215 1.00 23.61 H new ATOM 0 HZ2 LYS C 79 35.245 7.216 -16.581 1.00 23.61 H new ATOM 0 HZ3 LYS C 79 34.326 6.577 -17.858 1.00 23.61 H new ATOM 1524 N LYS C 80 32.886 -0.173 -15.399 1.00 25.70 N ATOM 1525 CA LYS C 80 33.376 -1.325 -16.143 1.00 26.78 C ATOM 1526 C LYS C 80 32.225 -2.065 -16.817 1.00 29.25 C ATOM 1527 O LYS C 80 32.381 -2.615 -17.908 1.00 30.63 O ATOM 1528 CB LYS C 80 34.137 -2.275 -15.215 1.00 26.42 C ATOM 1529 CG LYS C 80 35.494 -2.693 -15.756 1.00 25.71 C ATOM 1530 CD LYS C 80 36.287 -3.481 -14.726 1.00 25.08 C ATOM 1531 CE LYS C 80 35.671 -4.847 -14.474 1.00 26.53 C ATOM 1532 NZ LYS C 80 36.674 -5.822 -13.963 1.00 27.14 N ATOM 0 H LYS C 80 32.972 -0.256 -14.386 1.00 25.70 H new ATOM 0 HA LYS C 80 34.055 -0.965 -16.916 1.00 26.78 H new ATOM 0 HB2 LYS C 80 34.273 -1.793 -14.247 1.00 26.42 H new ATOM 0 HB3 LYS C 80 33.532 -3.166 -15.045 1.00 26.42 H new ATOM 0 HG2 LYS C 80 35.359 -3.298 -16.653 1.00 25.71 H new ATOM 0 HG3 LYS C 80 36.058 -1.808 -16.051 1.00 25.71 H new ATOM 0 HD2 LYS C 80 37.314 -3.602 -15.071 1.00 25.08 H new ATOM 0 HD3 LYS C 80 36.328 -2.921 -13.791 1.00 25.08 H new ATOM 0 HE2 LYS C 80 34.858 -4.752 -13.754 1.00 26.53 H new ATOM 0 HE3 LYS C 80 35.235 -5.225 -15.399 1.00 26.53 H new ATOM 0 HZ1 LYS C 80 36.215 -6.741 -13.804 1.00 27.14 H new ATOM 0 HZ2 LYS C 80 37.437 -5.933 -14.661 1.00 27.14 H new ATOM 0 HZ3 LYS C 80 37.072 -5.474 -13.067 1.00 27.14 H new ATOM 1546 N THR C 81 31.070 -2.071 -16.162 1.00 29.89 N ATOM 1547 CA THR C 81 29.888 -2.739 -16.697 1.00 32.29 C ATOM 1548 C THR C 81 29.513 -2.172 -18.061 1.00 33.67 C ATOM 1549 O THR C 81 29.257 -2.917 -19.007 1.00 33.59 O ATOM 1550 CB THR C 81 28.716 -2.587 -15.731 1.00 32.41 C ATOM 1551 OG1 THR C 81 29.135 -1.966 -14.531 1.00 30.04 O ATOM 1552 CG2 THR C 81 28.065 -3.902 -15.363 1.00 33.34 C ATOM 0 H THR C 81 30.926 -1.620 -15.258 1.00 29.89 H new ATOM 0 HA THR C 81 30.120 -3.797 -16.816 1.00 32.29 H new ATOM 0 HB THR C 81 27.985 -1.976 -16.260 1.00 32.41 H new ATOM 0 HG1 THR C 81 28.694 -2.396 -13.769 1.00 30.04 H new ATOM 0 HG21 THR C 81 27.240 -3.719 -14.674 1.00 33.34 H new ATOM 0 HG22 THR C 81 27.685 -4.385 -16.264 1.00 33.34 H new ATOM 0 HG23 THR C 81 28.800 -4.551 -14.886 1.00 33.34 H new ATOM 1616 N ASP D 54 25.820 6.917 -17.430 1.00 31.71 N ATOM 1617 CA ASP D 54 24.841 6.485 -16.438 1.00 29.65 C ATOM 1618 C ASP D 54 25.523 5.787 -15.265 1.00 28.17 C ATOM 1619 O ASP D 54 24.991 5.754 -14.156 1.00 27.04 O ATOM 1620 CB ASP D 54 23.817 5.548 -17.079 1.00 29.69 C ATOM 1621 CG ASP D 54 22.521 5.483 -16.294 1.00 28.21 C ATOM 1622 OD1 ASP D 54 22.469 4.732 -15.298 1.00 27.54 O ATOM 1623 OD2 ASP D 54 21.559 6.180 -16.678 1.00 27.85 O ATOM 0 HA ASP D 54 24.329 7.370 -16.060 1.00 29.65 H new ATOM 0 HB2 ASP D 54 23.607 5.884 -18.094 1.00 29.69 H new ATOM 0 HB3 ASP D 54 24.242 4.547 -17.156 1.00 29.69 H new ATOM 1628 N ALA D 55 26.702 5.228 -15.519 1.00 28.35 N ATOM 1629 CA ALA D 55 27.454 4.530 -14.483 1.00 27.17 C ATOM 1630 C ALA D 55 27.758 5.451 -13.307 1.00 26.09 C ATOM 1631 O ALA D 55 27.542 5.089 -12.151 1.00 24.47 O ATOM 1632 CB ALA D 55 28.743 3.962 -15.059 1.00 28.31 C ATOM 0 H ALA D 55 27.156 5.245 -16.432 1.00 28.35 H new ATOM 0 HA ALA D 55 26.839 3.708 -14.115 1.00 27.17 H new ATOM 0 HB1 ALA D 55 29.295 3.444 -14.275 1.00 28.31 H new ATOM 0 HB2 ALA D 55 28.506 3.261 -15.860 1.00 28.31 H new ATOM 0 HB3 ALA D 55 29.353 4.774 -15.456 1.00 28.31 H new ATOM 1638 N GLU D 56 28.259 6.644 -13.608 1.00 27.15 N ATOM 1639 CA GLU D 56 28.591 7.616 -12.574 1.00 26.42 C ATOM 1640 C GLU D 56 27.343 8.042 -11.806 1.00 25.40 C ATOM 1641 O GLU D 56 27.358 8.128 -10.579 1.00 25.91 O ATOM 1642 CB GLU D 56 29.267 8.842 -13.192 1.00 28.02 C ATOM 1643 CG GLU D 56 29.844 9.801 -12.165 1.00 29.80 C ATOM 1644 CD GLU D 56 29.877 11.234 -12.658 1.00 31.06 C ATOM 1645 OE1 GLU D 56 29.384 11.488 -13.777 1.00 32.16 O ATOM 1646 OE2 GLU D 56 30.397 12.103 -11.925 1.00 31.07 O ATOM 0 H GLU D 56 28.444 6.961 -14.560 1.00 27.15 H new ATOM 0 HA GLU D 56 29.282 7.143 -11.876 1.00 26.42 H new ATOM 0 HB2 GLU D 56 30.065 8.510 -13.856 1.00 28.02 H new ATOM 0 HB3 GLU D 56 28.542 9.375 -13.807 1.00 28.02 H new ATOM 0 HG2 GLU D 56 29.251 9.749 -11.252 1.00 29.80 H new ATOM 0 HG3 GLU D 56 30.855 9.486 -11.907 1.00 29.80 H new ATOM 1653 N ARG D 57 26.265 8.305 -12.538 1.00 24.23 N ATOM 1654 CA ARG D 57 25.009 8.719 -11.924 1.00 23.50 C ATOM 1655 C ARG D 57 24.471 7.629 -11.005 1.00 22.36 C ATOM 1656 O ARG D 57 23.906 7.914 -9.950 1.00 22.63 O ATOM 1657 CB ARG D 57 23.974 9.051 -13.001 1.00 22.45 C ATOM 1658 CG ARG D 57 24.274 10.331 -13.762 1.00 22.31 C ATOM 1659 CD ARG D 57 23.306 10.530 -14.918 1.00 21.52 C ATOM 1660 NE ARG D 57 23.350 11.892 -15.442 1.00 21.87 N ATOM 1661 CZ ARG D 57 22.872 12.947 -14.791 1.00 20.57 C ATOM 1662 NH1 ARG D 57 22.314 12.794 -13.598 1.00 18.81 N ATOM 1663 NH2 ARG D 57 22.950 14.155 -15.333 1.00 21.09 N ATOM 0 H ARG D 57 26.236 8.239 -13.555 1.00 24.23 H new ATOM 0 HA ARG D 57 25.201 9.612 -11.329 1.00 23.50 H new ATOM 0 HB2 ARG D 57 23.920 8.223 -13.708 1.00 22.45 H new ATOM 0 HB3 ARG D 57 22.992 9.137 -12.535 1.00 22.45 H new ATOM 0 HG2 ARG D 57 24.213 11.182 -13.084 1.00 22.31 H new ATOM 0 HG3 ARG D 57 25.295 10.299 -14.142 1.00 22.31 H new ATOM 0 HD2 ARG D 57 23.545 9.827 -15.716 1.00 21.52 H new ATOM 0 HD3 ARG D 57 22.293 10.302 -14.586 1.00 21.52 H new ATOM 0 HE ARG D 57 23.771 12.042 -16.359 1.00 21.87 H new ATOM 0 HH11 ARG D 57 22.252 11.866 -13.179 1.00 18.81 H new ATOM 0 HH12 ARG D 57 21.947 13.604 -13.099 1.00 18.81 H new ATOM 0 HH21 ARG D 57 23.378 14.275 -16.251 1.00 21.09 H new ATOM 0 HH22 ARG D 57 22.582 14.964 -14.832 1.00 21.09 H new ATOM 1677 N LEU D 58 24.652 6.378 -11.415 1.00 21.21 N ATOM 1678 CA LEU D 58 24.186 5.241 -10.630 1.00 20.19 C ATOM 1679 C LEU D 58 24.896 5.187 -9.283 1.00 18.92 C ATOM 1680 O LEU D 58 24.255 5.133 -8.234 1.00 16.77 O ATOM 1681 CB LEU D 58 24.420 3.935 -11.394 1.00 20.24 C ATOM 1682 CG LEU D 58 23.397 3.632 -12.489 1.00 19.03 C ATOM 1683 CD1 LEU D 58 23.852 2.452 -13.333 1.00 18.24 C ATOM 1684 CD2 LEU D 58 22.030 3.357 -11.879 1.00 18.05 C ATOM 0 H LEU D 58 25.118 6.126 -12.287 1.00 21.21 H new ATOM 0 HA LEU D 58 23.117 5.365 -10.455 1.00 20.19 H new ATOM 0 HB2 LEU D 58 25.412 3.968 -11.844 1.00 20.24 H new ATOM 0 HB3 LEU D 58 24.421 3.110 -10.681 1.00 20.24 H new ATOM 0 HG LEU D 58 23.316 4.505 -13.136 1.00 19.03 H new ATOM 0 HD11 LEU D 58 23.111 2.251 -14.107 1.00 18.24 H new ATOM 0 HD12 LEU D 58 24.809 2.686 -13.799 1.00 18.24 H new ATOM 0 HD13 LEU D 58 23.962 1.572 -12.699 1.00 18.24 H new ATOM 0 HD21 LEU D 58 21.314 3.143 -12.672 1.00 18.05 H new ATOM 0 HD22 LEU D 58 22.096 2.500 -11.209 1.00 18.05 H new ATOM 0 HD23 LEU D 58 21.700 4.231 -11.318 1.00 18.05 H new ATOM 1696 N ALA D 59 26.221 5.202 -9.324 1.00 20.32 N ATOM 1697 CA ALA D 59 27.027 5.154 -8.111 1.00 19.40 C ATOM 1698 C ALA D 59 26.575 6.212 -7.113 1.00 18.76 C ATOM 1699 O ALA D 59 26.520 5.960 -5.909 1.00 18.55 O ATOM 1700 CB ALA D 59 28.499 5.337 -8.448 1.00 19.34 C ATOM 0 H ALA D 59 26.763 5.247 -10.187 1.00 20.32 H new ATOM 0 HA ALA D 59 26.891 4.175 -7.651 1.00 19.40 H new ATOM 0 HB1 ALA D 59 29.089 5.299 -7.532 1.00 19.34 H new ATOM 0 HB2 ALA D 59 28.820 4.541 -9.120 1.00 19.34 H new ATOM 0 HB3 ALA D 59 28.644 6.302 -8.933 1.00 19.34 H new ATOM 1706 N ASP D 60 26.250 7.395 -7.621 1.00 18.67 N ATOM 1707 CA ASP D 60 25.799 8.489 -6.769 1.00 18.03 C ATOM 1708 C ASP D 60 24.457 8.154 -6.133 1.00 15.16 C ATOM 1709 O ASP D 60 24.187 8.534 -4.994 1.00 14.20 O ATOM 1710 CB ASP D 60 25.691 9.786 -7.572 1.00 19.78 C ATOM 1711 CG ASP D 60 25.701 11.016 -6.686 1.00 21.01 C ATOM 1712 OD1 ASP D 60 25.376 10.886 -5.487 1.00 20.63 O ATOM 1713 OD2 ASP D 60 26.036 12.108 -7.190 1.00 22.46 O ATOM 0 H ASP D 60 26.290 7.621 -8.615 1.00 18.67 H new ATOM 0 HA ASP D 60 26.535 8.629 -5.977 1.00 18.03 H new ATOM 0 HB2 ASP D 60 26.519 9.843 -8.278 1.00 19.78 H new ATOM 0 HB3 ASP D 60 24.773 9.772 -8.159 1.00 19.78 H new ATOM 1718 N GLU D 61 23.620 7.436 -6.874 1.00 13.90 N ATOM 1719 CA GLU D 61 22.310 7.045 -6.377 1.00 11.28 C ATOM 1720 C GLU D 61 22.448 6.064 -5.220 1.00 9.37 C ATOM 1721 O GLU D 61 21.744 6.168 -4.217 1.00 7.60 O ATOM 1722 CB GLU D 61 21.482 6.415 -7.499 1.00 11.63 C ATOM 1723 CG GLU D 61 20.466 7.364 -8.110 1.00 12.85 C ATOM 1724 CD GLU D 61 21.115 8.489 -8.892 1.00 15.03 C ATOM 1725 OE1 GLU D 61 21.714 9.384 -8.259 1.00 15.86 O ATOM 1726 OE2 GLU D 61 21.026 8.475 -10.138 1.00 16.16 O ATOM 0 H GLU D 61 23.827 7.114 -7.820 1.00 13.90 H new ATOM 0 HA GLU D 61 21.799 7.939 -6.019 1.00 11.28 H new ATOM 0 HB2 GLU D 61 22.154 6.062 -8.281 1.00 11.63 H new ATOM 0 HB3 GLU D 61 20.961 5.541 -7.108 1.00 11.63 H new ATOM 0 HG2 GLU D 61 19.802 6.804 -8.769 1.00 12.85 H new ATOM 0 HG3 GLU D 61 19.847 7.787 -7.318 1.00 12.85 H new ATOM 1733 N GLN D 62 23.364 5.112 -5.372 1.00 10.04 N ATOM 1734 CA GLN D 62 23.606 4.104 -4.346 1.00 8.94 C ATOM 1735 C GLN D 62 24.316 4.704 -3.136 1.00 9.78 C ATOM 1736 O GLN D 62 23.914 4.481 -1.997 1.00 9.87 O ATOM 1737 CB GLN D 62 24.446 2.959 -4.912 1.00 8.46 C ATOM 1738 CG GLN D 62 24.193 2.673 -6.385 1.00 8.80 C ATOM 1739 CD GLN D 62 22.721 2.712 -6.749 1.00 6.87 C ATOM 1740 OE1 GLN D 62 21.856 2.775 -5.876 1.00 4.99 O ATOM 1741 NE2 GLN D 62 22.431 2.671 -8.045 1.00 8.16 N ATOM 0 H GLN D 62 23.953 5.018 -6.200 1.00 10.04 H new ATOM 0 HA GLN D 62 22.637 3.721 -4.026 1.00 8.94 H new ATOM 0 HB2 GLN D 62 25.501 3.194 -4.775 1.00 8.46 H new ATOM 0 HB3 GLN D 62 24.243 2.055 -4.337 1.00 8.46 H new ATOM 0 HG2 GLN D 62 24.731 3.403 -6.989 1.00 8.80 H new ATOM 0 HG3 GLN D 62 24.598 1.692 -6.634 1.00 8.80 H new ATOM 0 HE21 GLN D 62 23.181 2.619 -8.734 1.00 8.16 H new ATOM 0 HE22 GLN D 62 21.458 2.692 -8.351 1.00 8.16 H new ATOM 1750 N SER D 63 25.381 5.458 -3.390 1.00 11.02 N ATOM 1751 CA SER D 63 26.151 6.073 -2.315 1.00 12.43 C ATOM 1752 C SER D 63 25.255 6.853 -1.359 1.00 11.44 C ATOM 1753 O SER D 63 25.315 6.660 -0.144 1.00 11.01 O ATOM 1754 CB SER D 63 27.223 6.996 -2.892 1.00 15.17 C ATOM 1755 OG SER D 63 26.767 7.633 -4.070 1.00 15.09 O ATOM 0 H SER D 63 25.729 5.657 -4.328 1.00 11.02 H new ATOM 0 HA SER D 63 26.629 5.272 -1.752 1.00 12.43 H new ATOM 0 HB2 SER D 63 27.497 7.747 -2.151 1.00 15.17 H new ATOM 0 HB3 SER D 63 28.123 6.421 -3.111 1.00 15.17 H new ATOM 0 HG SER D 63 27.070 7.128 -4.853 1.00 15.09 H new ATOM 1761 N GLU D 64 24.436 7.744 -1.907 1.00 11.57 N ATOM 1762 CA GLU D 64 23.546 8.559 -1.094 1.00 11.76 C ATOM 1763 C GLU D 64 22.618 7.703 -0.235 1.00 9.62 C ATOM 1764 O GLU D 64 22.616 7.824 0.990 1.00 9.44 O ATOM 1765 CB GLU D 64 22.734 9.507 -1.979 1.00 12.34 C ATOM 1766 CG GLU D 64 21.998 8.817 -3.118 1.00 10.53 C ATOM 1767 CD GLU D 64 21.612 9.776 -4.226 1.00 12.06 C ATOM 1768 OE1 GLU D 64 22.333 10.777 -4.422 1.00 13.46 O ATOM 1769 OE2 GLU D 64 20.590 9.526 -4.899 1.00 12.02 O ATOM 0 H GLU D 64 24.371 7.919 -2.910 1.00 11.57 H new ATOM 0 HA GLU D 64 24.166 9.148 -0.418 1.00 11.76 H new ATOM 0 HB2 GLU D 64 22.009 10.034 -1.359 1.00 12.34 H new ATOM 0 HB3 GLU D 64 23.403 10.260 -2.396 1.00 12.34 H new ATOM 0 HG2 GLU D 64 22.628 8.028 -3.528 1.00 10.53 H new ATOM 0 HG3 GLU D 64 21.100 8.337 -2.728 1.00 10.53 H new ATOM 1776 N LEU D 65 21.824 6.844 -0.869 1.00 8.64 N ATOM 1777 CA LEU D 65 20.899 5.993 -0.128 1.00 7.15 C ATOM 1778 C LEU D 65 21.624 5.233 0.975 1.00 5.22 C ATOM 1779 O LEU D 65 21.056 4.967 2.034 1.00 4.41 O ATOM 1780 CB LEU D 65 20.171 5.012 -1.053 1.00 7.26 C ATOM 1781 CG LEU D 65 21.037 4.328 -2.108 1.00 7.85 C ATOM 1782 CD1 LEU D 65 21.657 3.058 -1.549 1.00 6.63 C ATOM 1783 CD2 LEU D 65 20.209 4.018 -3.347 1.00 8.66 C ATOM 0 H LEU D 65 21.802 6.720 -1.881 1.00 8.64 H new ATOM 0 HA LEU D 65 20.154 6.646 0.327 1.00 7.15 H new ATOM 0 HB2 LEU D 65 19.703 4.242 -0.439 1.00 7.26 H new ATOM 0 HB3 LEU D 65 19.368 5.547 -1.560 1.00 7.26 H new ATOM 0 HG LEU D 65 21.843 5.006 -2.389 1.00 7.85 H new ATOM 0 HD11 LEU D 65 22.271 2.585 -2.316 1.00 6.63 H new ATOM 0 HD12 LEU D 65 22.278 3.305 -0.688 1.00 6.63 H new ATOM 0 HD13 LEU D 65 20.867 2.372 -1.242 1.00 6.63 H new ATOM 0 HD21 LEU D 65 20.838 3.530 -4.092 1.00 8.66 H new ATOM 0 HD22 LEU D 65 19.385 3.357 -3.078 1.00 8.66 H new ATOM 0 HD23 LEU D 65 19.810 4.945 -3.759 1.00 8.66 H new ATOM 1795 N VAL D 66 22.884 4.889 0.727 1.00 4.96 N ATOM 1796 CA VAL D 66 23.679 4.164 1.711 1.00 4.59 C ATOM 1797 C VAL D 66 23.833 4.974 2.993 1.00 4.59 C ATOM 1798 O VAL D 66 23.557 4.482 4.085 1.00 4.58 O ATOM 1799 CB VAL D 66 25.079 3.808 1.166 1.00 5.58 C ATOM 1800 CG1 VAL D 66 25.905 3.093 2.228 1.00 6.70 C ATOM 1801 CG2 VAL D 66 24.965 2.957 -0.087 1.00 5.74 C ATOM 0 H VAL D 66 23.374 5.099 -0.142 1.00 4.96 H new ATOM 0 HA VAL D 66 23.143 3.240 1.927 1.00 4.59 H new ATOM 0 HB VAL D 66 25.589 4.735 0.905 1.00 5.58 H new ATOM 0 HG11 VAL D 66 26.888 2.851 1.823 1.00 6.70 H new ATOM 0 HG12 VAL D 66 26.020 3.741 3.097 1.00 6.70 H new ATOM 0 HG13 VAL D 66 25.399 2.174 2.525 1.00 6.70 H new ATOM 0 HG21 VAL D 66 25.962 2.717 -0.456 1.00 5.74 H new ATOM 0 HG22 VAL D 66 24.433 2.035 0.147 1.00 5.74 H new ATOM 0 HG23 VAL D 66 24.418 3.508 -0.852 1.00 5.74 H new ATOM 1811 N LYS D 67 24.279 6.213 2.854 1.00 5.00 N ATOM 1812 CA LYS D 67 24.471 7.083 4.007 1.00 5.19 C ATOM 1813 C LYS D 67 23.208 7.141 4.860 1.00 5.69 C ATOM 1814 O LYS D 67 23.279 7.221 6.085 1.00 5.53 O ATOM 1815 CB LYS D 67 24.860 8.492 3.556 1.00 4.73 C ATOM 1816 CG LYS D 67 25.257 9.411 4.700 1.00 6.57 C ATOM 1817 CD LYS D 67 25.032 10.872 4.349 1.00 6.16 C ATOM 1818 CE LYS D 67 26.113 11.394 3.416 1.00 4.97 C ATOM 1819 NZ LYS D 67 25.568 12.360 2.422 1.00 4.38 N ATOM 0 H LYS D 67 24.515 6.639 1.958 1.00 5.00 H new ATOM 0 HA LYS D 67 25.279 6.669 4.610 1.00 5.19 H new ATOM 0 HB2 LYS D 67 25.690 8.423 2.852 1.00 4.73 H new ATOM 0 HB3 LYS D 67 24.022 8.936 3.018 1.00 4.73 H new ATOM 0 HG2 LYS D 67 24.679 9.157 5.589 1.00 6.57 H new ATOM 0 HG3 LYS D 67 26.307 9.253 4.946 1.00 6.57 H new ATOM 0 HD2 LYS D 67 24.056 10.988 3.878 1.00 6.16 H new ATOM 0 HD3 LYS D 67 25.018 11.468 5.261 1.00 6.16 H new ATOM 0 HE2 LYS D 67 26.895 11.877 4.001 1.00 4.97 H new ATOM 0 HE3 LYS D 67 26.577 10.557 2.893 1.00 4.97 H new ATOM 0 HZ1 LYS D 67 26.336 12.693 1.804 1.00 4.38 H new ATOM 0 HZ2 LYS D 67 24.839 11.892 1.847 1.00 4.38 H new ATOM 0 HZ3 LYS D 67 25.148 13.171 2.920 1.00 4.38 H new ATOM 1833 N LYS D 68 22.054 7.103 4.204 1.00 6.87 N ATOM 1834 CA LYS D 68 20.775 7.158 4.902 1.00 8.02 C ATOM 1835 C LYS D 68 20.550 5.911 5.753 1.00 8.91 C ATOM 1836 O LYS D 68 20.014 5.994 6.858 1.00 10.01 O ATOM 1837 CB LYS D 68 19.630 7.320 3.902 1.00 7.79 C ATOM 1838 CG LYS D 68 18.723 8.501 4.205 1.00 9.91 C ATOM 1839 CD LYS D 68 17.393 8.047 4.783 1.00 10.68 C ATOM 1840 CE LYS D 68 16.324 9.116 4.624 1.00 11.12 C ATOM 1841 NZ LYS D 68 14.952 8.548 4.724 1.00 12.14 N ATOM 0 H LYS D 68 21.978 7.034 3.189 1.00 6.87 H new ATOM 0 HA LYS D 68 20.797 8.022 5.566 1.00 8.02 H new ATOM 0 HB2 LYS D 68 20.046 7.439 2.902 1.00 7.79 H new ATOM 0 HB3 LYS D 68 19.034 6.407 3.893 1.00 7.79 H new ATOM 0 HG2 LYS D 68 19.218 9.170 4.909 1.00 9.91 H new ATOM 0 HG3 LYS D 68 18.549 9.071 3.292 1.00 9.91 H new ATOM 0 HD2 LYS D 68 17.072 7.132 4.285 1.00 10.68 H new ATOM 0 HD3 LYS D 68 17.516 7.808 5.839 1.00 10.68 H new ATOM 0 HE2 LYS D 68 16.457 9.880 5.390 1.00 11.12 H new ATOM 0 HE3 LYS D 68 16.444 9.608 3.659 1.00 11.12 H new ATOM 0 HZ1 LYS D 68 14.252 9.309 4.610 1.00 12.14 H new ATOM 0 HZ2 LYS D 68 14.815 7.837 3.977 1.00 12.14 H new ATOM 0 HZ3 LYS D 68 14.829 8.100 5.655 1.00 12.14 H new ATOM 1855 N MET D 69 20.952 4.755 5.235 1.00 8.70 N ATOM 1856 CA MET D 69 20.779 3.501 5.960 1.00 9.63 C ATOM 1857 C MET D 69 21.679 3.454 7.196 1.00 10.54 C ATOM 1858 O MET D 69 21.279 2.959 8.251 1.00 11.57 O ATOM 1859 CB MET D 69 21.051 2.298 5.035 1.00 8.95 C ATOM 1860 CG MET D 69 22.502 1.829 5.001 1.00 8.86 C ATOM 1861 SD MET D 69 22.965 1.113 3.412 1.00 8.57 S ATOM 1862 CE MET D 69 24.596 0.473 3.790 1.00 7.21 C ATOM 0 H MET D 69 21.397 4.660 4.322 1.00 8.70 H new ATOM 0 HA MET D 69 19.744 3.444 6.298 1.00 9.63 H new ATOM 0 HB2 MET D 69 20.423 1.465 5.352 1.00 8.95 H new ATOM 0 HB3 MET D 69 20.746 2.561 4.022 1.00 8.95 H new ATOM 0 HG2 MET D 69 23.157 2.672 5.220 1.00 8.86 H new ATOM 0 HG3 MET D 69 22.659 1.091 5.787 1.00 8.86 H new ATOM 0 HE1 MET D 69 25.248 0.607 2.927 1.00 7.21 H new ATOM 0 HE2 MET D 69 25.009 1.010 4.644 1.00 7.21 H new ATOM 0 HE3 MET D 69 24.524 -0.588 4.029 1.00 7.21 H new ATOM 1872 N VAL D 70 22.896 3.965 7.054 1.00 10.61 N ATOM 1873 CA VAL D 70 23.852 3.972 8.151 1.00 11.43 C ATOM 1874 C VAL D 70 23.690 5.207 9.031 1.00 12.22 C ATOM 1875 O VAL D 70 24.044 5.188 10.210 1.00 11.51 O ATOM 1876 CB VAL D 70 25.298 3.902 7.630 1.00 11.65 C ATOM 1877 CG1 VAL D 70 26.282 3.873 8.789 1.00 12.42 C ATOM 1878 CG2 VAL D 70 25.481 2.685 6.732 1.00 10.49 C ATOM 0 H VAL D 70 23.243 4.380 6.189 1.00 10.61 H new ATOM 0 HA VAL D 70 23.646 3.086 8.752 1.00 11.43 H new ATOM 0 HB VAL D 70 25.498 4.795 7.038 1.00 11.65 H new ATOM 0 HG11 VAL D 70 27.300 3.823 8.401 1.00 12.42 H new ATOM 0 HG12 VAL D 70 26.165 4.776 9.388 1.00 12.42 H new ATOM 0 HG13 VAL D 70 26.087 2.998 9.410 1.00 12.42 H new ATOM 0 HG21 VAL D 70 26.509 2.650 6.372 1.00 10.49 H new ATOM 0 HG22 VAL D 70 25.264 1.779 7.298 1.00 10.49 H new ATOM 0 HG23 VAL D 70 24.801 2.754 5.883 1.00 10.49 H new ATOM 1888 N PHE D 71 23.149 6.279 8.460 1.00 13.96 N ATOM 1889 CA PHE D 71 22.942 7.511 9.213 1.00 14.96 C ATOM 1890 C PHE D 71 21.919 7.292 10.321 1.00 17.31 C ATOM 1891 O PHE D 71 22.049 7.838 11.417 1.00 18.01 O ATOM 1892 CB PHE D 71 22.479 8.640 8.290 1.00 15.81 C ATOM 1893 CG PHE D 71 22.224 9.934 9.011 1.00 15.90 C ATOM 1894 CD1 PHE D 71 23.054 10.337 10.065 1.00 16.02 C ATOM 1895 CD2 PHE D 71 21.151 10.759 8.641 1.00 16.20 C ATOM 1896 CE1 PHE D 71 22.821 11.540 10.739 1.00 16.40 C ATOM 1897 CE2 PHE D 71 20.913 11.963 9.312 1.00 16.36 C ATOM 1898 CZ PHE D 71 21.750 12.353 10.361 1.00 16.46 C ATOM 0 H PHE D 71 22.848 6.320 7.486 1.00 13.96 H new ATOM 0 HA PHE D 71 23.893 7.797 9.662 1.00 14.96 H new ATOM 0 HB2 PHE D 71 23.234 8.804 7.521 1.00 15.81 H new ATOM 0 HB3 PHE D 71 21.567 8.331 7.780 1.00 15.81 H new ATOM 0 HD1 PHE D 71 23.883 9.712 10.361 1.00 16.02 H new ATOM 0 HD2 PHE D 71 20.503 10.461 7.830 1.00 16.20 H new ATOM 0 HE1 PHE D 71 23.468 11.840 11.550 1.00 16.40 H new ATOM 0 HE2 PHE D 71 20.084 12.590 9.020 1.00 16.36 H new ATOM 0 HZ PHE D 71 21.569 13.283 10.879 1.00 16.46 H new ATOM 1908 N ASP D 72 20.906 6.484 10.030 1.00 18.73 N ATOM 1909 CA ASP D 72 19.865 6.184 11.004 1.00 21.18 C ATOM 1910 C ASP D 72 20.357 5.151 12.011 1.00 21.36 C ATOM 1911 O ASP D 72 20.146 5.295 13.216 1.00 21.81 O ATOM 1912 CB ASP D 72 18.606 5.674 10.300 1.00 22.76 C ATOM 1913 CG ASP D 72 17.334 6.150 10.976 1.00 24.10 C ATOM 1914 OD1 ASP D 72 17.076 5.727 12.121 1.00 25.35 O ATOM 1915 OD2 ASP D 72 16.598 6.947 10.358 1.00 23.96 O ATOM 0 H ASP D 72 20.784 6.025 9.127 1.00 18.73 H new ATOM 0 HA ASP D 72 19.620 7.102 11.538 1.00 21.18 H new ATOM 0 HB2 ASP D 72 18.611 6.010 9.263 1.00 22.76 H new ATOM 0 HB3 ASP D 72 18.619 4.584 10.282 1.00 22.76 H new ATOM 1920 N THR D 73 21.019 4.111 11.512 1.00 21.31 N ATOM 1921 CA THR D 73 21.545 3.057 12.371 1.00 21.86 C ATOM 1922 C THR D 73 22.502 3.635 13.411 1.00 23.12 C ATOM 1923 O THR D 73 22.459 3.262 14.583 1.00 25.05 O ATOM 1924 CB THR D 73 22.263 1.995 11.535 1.00 19.73 C ATOM 1925 OG1 THR D 73 21.353 1.330 10.680 1.00 20.57 O ATOM 1926 CG2 THR D 73 22.960 0.943 12.372 1.00 18.74 C ATOM 0 H THR D 73 21.203 3.976 10.518 1.00 21.31 H new ATOM 0 HA THR D 73 20.706 2.592 12.889 1.00 21.86 H new ATOM 0 HB THR D 73 23.016 2.539 10.964 1.00 19.73 H new ATOM 0 HG1 THR D 73 21.275 1.824 9.837 1.00 20.57 H new ATOM 0 HG21 THR D 73 23.448 0.222 11.717 1.00 18.74 H new ATOM 0 HG22 THR D 73 23.706 1.419 13.008 1.00 18.74 H new ATOM 0 HG23 THR D 73 22.228 0.430 12.995 1.00 18.74 H new ATOM 1934 N LEU D 74 23.362 4.548 12.971 1.00 22.10 N ATOM 1935 CA LEU D 74 24.330 5.178 13.861 1.00 23.21 C ATOM 1936 C LEU D 74 23.624 6.011 14.925 1.00 24.17 C ATOM 1937 O LEU D 74 23.993 5.977 16.099 1.00 25.43 O ATOM 1938 CB LEU D 74 25.294 6.059 13.061 1.00 22.64 C ATOM 1939 CG LEU D 74 26.256 5.299 12.146 1.00 20.62 C ATOM 1940 CD1 LEU D 74 26.859 6.237 11.112 1.00 20.52 C ATOM 1941 CD2 LEU D 74 27.349 4.630 12.964 1.00 20.53 C ATOM 0 H LEU D 74 23.408 4.868 12.004 1.00 22.10 H new ATOM 0 HA LEU D 74 24.898 4.391 14.357 1.00 23.21 H new ATOM 0 HB2 LEU D 74 24.711 6.752 12.455 1.00 22.64 H new ATOM 0 HB3 LEU D 74 25.878 6.659 13.759 1.00 22.64 H new ATOM 0 HG LEU D 74 25.696 4.525 11.621 1.00 20.62 H new ATOM 0 HD11 LEU D 74 27.541 5.680 10.469 1.00 20.52 H new ATOM 0 HD12 LEU D 74 26.063 6.671 10.507 1.00 20.52 H new ATOM 0 HD13 LEU D 74 27.406 7.033 11.618 1.00 20.52 H new ATOM 0 HD21 LEU D 74 28.025 4.094 12.298 1.00 20.53 H new ATOM 0 HD22 LEU D 74 27.907 5.388 13.514 1.00 20.53 H new ATOM 0 HD23 LEU D 74 26.900 3.929 13.667 1.00 20.53 H new ATOM 1953 N LYS D 75 22.607 6.759 14.508 1.00 23.73 N ATOM 1954 CA LYS D 75 21.848 7.599 15.429 1.00 24.65 C ATOM 1955 C LYS D 75 21.411 6.800 16.651 1.00 25.32 C ATOM 1956 O LYS D 75 21.458 7.292 17.778 1.00 25.86 O ATOM 1957 CB LYS D 75 20.622 8.187 14.723 1.00 24.06 C ATOM 1958 CG LYS D 75 20.591 9.706 14.722 1.00 23.24 C ATOM 1959 CD LYS D 75 19.573 10.240 13.725 1.00 22.44 C ATOM 1960 CE LYS D 75 18.150 9.942 14.167 1.00 23.79 C ATOM 1961 NZ LYS D 75 17.616 8.707 13.526 1.00 23.41 N ATOM 0 H LYS D 75 22.290 6.801 13.540 1.00 23.73 H new ATOM 0 HA LYS D 75 22.493 8.414 15.759 1.00 24.65 H new ATOM 0 HB2 LYS D 75 20.601 7.831 13.693 1.00 24.06 H new ATOM 0 HB3 LYS D 75 19.720 7.814 15.208 1.00 24.06 H new ATOM 0 HG2 LYS D 75 20.348 10.067 15.721 1.00 23.24 H new ATOM 0 HG3 LYS D 75 21.580 10.091 14.476 1.00 23.24 H new ATOM 0 HD2 LYS D 75 19.702 11.317 13.613 1.00 22.44 H new ATOM 0 HD3 LYS D 75 19.752 9.794 12.747 1.00 22.44 H new ATOM 0 HE2 LYS D 75 18.123 9.829 15.251 1.00 23.79 H new ATOM 0 HE3 LYS D 75 17.508 10.787 13.918 1.00 23.79 H new ATOM 0 HZ1 LYS D 75 16.583 8.783 13.432 1.00 23.41 H new ATOM 0 HZ2 LYS D 75 18.042 8.593 12.584 1.00 23.41 H new ATOM 0 HZ3 LYS D 75 17.850 7.882 14.114 1.00 23.41 H new ATOM 1975 N ASP D 76 20.990 5.563 16.417 1.00 25.31 N ATOM 1976 CA ASP D 76 20.548 4.688 17.492 1.00 25.94 C ATOM 1977 C ASP D 76 21.744 4.069 18.206 1.00 26.60 C ATOM 1978 O ASP D 76 21.691 3.795 19.405 1.00 27.50 O ATOM 1979 CB ASP D 76 19.641 3.586 16.939 1.00 25.16 C ATOM 1980 CG ASP D 76 19.149 2.645 18.021 1.00 26.53 C ATOM 1981 OD1 ASP D 76 18.809 3.131 19.121 1.00 27.85 O ATOM 1982 OD2 ASP D 76 19.103 1.423 17.769 1.00 26.41 O ATOM 0 H ASP D 76 20.946 5.143 15.488 1.00 25.31 H new ATOM 0 HA ASP D 76 19.985 5.284 18.210 1.00 25.94 H new ATOM 0 HB2 ASP D 76 18.785 4.040 16.440 1.00 25.16 H new ATOM 0 HB3 ASP D 76 20.184 3.016 16.185 1.00 25.16 H new ATOM 1987 N LEU D 77 22.821 3.854 17.460 1.00 26.16 N ATOM 1988 CA LEU D 77 24.034 3.270 18.014 1.00 26.77 C ATOM 1989 C LEU D 77 24.602 4.150 19.123 1.00 27.66 C ATOM 1990 O LEU D 77 25.102 3.653 20.132 1.00 28.56 O ATOM 1991 CB LEU D 77 25.077 3.078 16.913 1.00 26.34 C ATOM 1992 CG LEU D 77 24.894 1.820 16.062 1.00 26.07 C ATOM 1993 CD1 LEU D 77 25.911 1.789 14.933 1.00 23.35 C ATOM 1994 CD2 LEU D 77 25.011 0.573 16.924 1.00 27.39 C ATOM 0 H LEU D 77 22.878 4.077 16.466 1.00 26.16 H new ATOM 0 HA LEU D 77 23.782 2.299 18.440 1.00 26.77 H new ATOM 0 HB2 LEU D 77 25.056 3.948 16.257 1.00 26.34 H new ATOM 0 HB3 LEU D 77 26.066 3.048 17.371 1.00 26.34 H new ATOM 0 HG LEU D 77 23.896 1.841 15.624 1.00 26.07 H new ATOM 0 HD11 LEU D 77 25.766 0.887 14.338 1.00 23.35 H new ATOM 0 HD12 LEU D 77 25.779 2.667 14.300 1.00 23.35 H new ATOM 0 HD13 LEU D 77 26.918 1.791 15.350 1.00 23.35 H new ATOM 0 HD21 LEU D 77 24.878 -0.313 16.303 1.00 27.39 H new ATOM 0 HD22 LEU D 77 25.996 0.544 17.391 1.00 27.39 H new ATOM 0 HD23 LEU D 77 24.243 0.592 17.697 1.00 27.39 H new ATOM 2006 N TYR D 78 24.521 5.462 18.928 1.00 27.44 N ATOM 2007 CA TYR D 78 25.023 6.414 19.912 1.00 28.24 C ATOM 2008 C TYR D 78 23.980 6.677 20.993 1.00 31.25 C ATOM 2009 O TYR D 78 24.313 6.837 22.167 1.00 32.23 O ATOM 2010 CB TYR D 78 25.411 7.727 19.230 1.00 27.55 C ATOM 2011 CG TYR D 78 26.849 7.765 18.762 1.00 25.34 C ATOM 2012 CD1 TYR D 78 27.899 7.419 19.629 1.00 25.10 C ATOM 2013 CD2 TYR D 78 27.169 8.146 17.447 1.00 23.66 C ATOM 2014 CE1 TYR D 78 29.229 7.452 19.200 1.00 23.08 C ATOM 2015 CE2 TYR D 78 28.496 8.181 17.010 1.00 21.68 C ATOM 2016 CZ TYR D 78 29.521 7.833 17.891 1.00 21.31 C ATOM 2017 OH TYR D 78 30.830 7.866 17.465 1.00 19.37 O ATOM 0 H TYR D 78 24.112 5.890 18.097 1.00 27.44 H new ATOM 0 HA TYR D 78 25.907 5.983 20.382 1.00 28.24 H new ATOM 0 HB2 TYR D 78 24.755 7.890 18.375 1.00 27.55 H new ATOM 0 HB3 TYR D 78 25.242 8.551 19.923 1.00 27.55 H new ATOM 0 HD1 TYR D 78 27.675 7.123 20.643 1.00 25.10 H new ATOM 0 HD2 TYR D 78 26.377 8.416 16.764 1.00 23.66 H new ATOM 0 HE1 TYR D 78 30.025 7.184 19.878 1.00 23.08 H new ATOM 0 HE2 TYR D 78 28.727 8.475 15.997 1.00 21.68 H new ATOM 0 HH TYR D 78 30.862 8.151 16.528 1.00 19.37 H new ATOM 2027 N LYS D 79 22.716 6.718 20.587 1.00 32.81 N ATOM 2028 CA LYS D 79 21.620 6.961 21.517 1.00 35.71 C ATOM 2029 C LYS D 79 21.519 5.845 22.552 1.00 36.62 C ATOM 2030 O LYS D 79 20.959 6.036 23.631 1.00 37.88 O ATOM 2031 CB LYS D 79 20.298 7.086 20.755 1.00 36.90 C ATOM 2032 CG LYS D 79 20.169 8.378 19.966 1.00 37.47 C ATOM 2033 CD LYS D 79 19.363 9.416 20.729 1.00 40.34 C ATOM 2034 CE LYS D 79 17.982 9.607 20.119 1.00 41.60 C ATOM 2035 NZ LYS D 79 17.368 10.901 20.529 1.00 44.11 N ATOM 0 H LYS D 79 22.425 6.586 19.618 1.00 32.81 H new ATOM 0 HA LYS D 79 21.824 7.895 22.040 1.00 35.71 H new ATOM 0 HB2 LYS D 79 20.201 6.242 20.072 1.00 36.90 H new ATOM 0 HB3 LYS D 79 19.472 7.019 21.464 1.00 36.90 H new ATOM 0 HG2 LYS D 79 21.161 8.774 19.748 1.00 37.47 H new ATOM 0 HG3 LYS D 79 19.690 8.175 19.008 1.00 37.47 H new ATOM 0 HD2 LYS D 79 19.263 9.108 21.770 1.00 40.34 H new ATOM 0 HD3 LYS D 79 19.897 10.366 20.728 1.00 40.34 H new ATOM 0 HE2 LYS D 79 18.057 9.569 19.032 1.00 41.60 H new ATOM 0 HE3 LYS D 79 17.334 8.785 20.423 1.00 41.60 H new ATOM 0 HZ1 LYS D 79 16.428 10.993 20.093 1.00 44.11 H new ATOM 0 HZ2 LYS D 79 17.273 10.928 21.564 1.00 44.11 H new ATOM 0 HZ3 LYS D 79 17.973 11.687 20.217 1.00 44.11 H new