USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 MET CE :methyl 162:sc= -0.984 (180deg=-1.68!) USER MOD Set 2.1: A 69 SER OG : rot -64:sc= 1.28 USER MOD Set 2.2: A 71 THR OG1 : rot -80:sc= 0.661 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -0.478 USER MOD Set 3.2: A 16 GLN : amide:sc= -2.11! C(o=-2.6!,f=-4.1!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.485 K(o=-0.49,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= -0.565 (180deg=-2.41!) USER MOD Single : A 18 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 38:sc= -0.775! USER MOD Single : A 37 SER OG : rot 170:sc= -0.527 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.171) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -131:sc= -3.59! (180deg=-9.2!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.52 K(o=-1.5,f=-6.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.29 F(o=-2.9,f=-1.3) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -111:sc= -2.91! (180deg=-7.94!) USER MOD Single : A 84 SER OG : rot -64:sc= 1.31 USER MOD Single : A 85 MET CE :methyl 139:sc= -0.956 (180deg=-2.71!) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= -1.92! (180deg=-2.21!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 70.082 19.563 3.792 1.00 4.98 N ATOM 2 CA ALA A 2 68.831 18.882 3.350 1.00 4.92 C ATOM 3 C ALA A 2 69.115 17.990 2.138 1.00 4.09 C ATOM 4 O ALA A 2 70.066 18.197 1.411 1.00 4.52 O ATOM 5 CB ALA A 2 67.877 20.015 2.970 1.00 5.75 C ATOM 0 HA ALA A 2 68.413 18.240 4.126 1.00 4.92 H new ATOM 0 HB1 ALA A 2 66.929 19.595 2.633 1.00 5.75 H new ATOM 0 HB2 ALA A 2 67.704 20.651 3.838 1.00 5.75 H new ATOM 0 HB3 ALA A 2 68.317 20.608 2.168 1.00 5.75 H new ATOM 10 N ASP A 3 68.296 16.998 1.916 1.00 3.31 N ATOM 11 CA ASP A 3 68.519 16.093 0.752 1.00 2.98 C ATOM 12 C ASP A 3 70.005 15.746 0.624 1.00 2.31 C ATOM 13 O ASP A 3 70.619 15.973 -0.400 1.00 2.93 O ATOM 14 CB ASP A 3 68.046 16.889 -0.466 1.00 3.17 C ATOM 15 CG ASP A 3 66.742 16.289 -0.993 1.00 3.95 C ATOM 16 OD1 ASP A 3 66.086 15.590 -0.237 1.00 4.60 O ATOM 17 OD2 ASP A 3 66.420 16.538 -2.143 1.00 4.32 O ATOM 0 H ASP A 3 67.483 16.775 2.490 1.00 3.31 H new ATOM 0 HA ASP A 3 67.983 15.150 0.856 1.00 2.98 H new ATOM 0 HB2 ASP A 3 67.894 17.934 -0.194 1.00 3.17 H new ATOM 0 HB3 ASP A 3 68.808 16.870 -1.245 1.00 3.17 H new ATOM 22 N ILE A 4 70.586 15.195 1.654 1.00 1.43 N ATOM 23 CA ILE A 4 72.031 14.832 1.589 1.00 1.28 C ATOM 24 C ILE A 4 72.223 13.589 0.716 1.00 1.13 C ATOM 25 O ILE A 4 72.989 13.592 -0.226 1.00 1.61 O ATOM 26 CB ILE A 4 72.431 14.537 3.034 1.00 1.66 C ATOM 27 CG1 ILE A 4 72.048 15.725 3.919 1.00 2.36 C ATOM 28 CG2 ILE A 4 73.941 14.310 3.112 1.00 1.86 C ATOM 29 CD1 ILE A 4 72.484 15.449 5.359 1.00 2.80 C ATOM 0 H ILE A 4 70.124 14.980 2.537 1.00 1.43 H new ATOM 0 HA ILE A 4 72.637 15.626 1.152 1.00 1.28 H new ATOM 0 HB ILE A 4 71.913 13.642 3.379 1.00 1.66 H new ATOM 0 HG12 ILE A 4 72.524 16.634 3.552 1.00 2.36 H new ATOM 0 HG13 ILE A 4 70.971 15.890 3.879 1.00 2.36 H new ATOM 0 HG21 ILE A 4 74.225 14.100 4.143 1.00 1.86 H new ATOM 0 HG22 ILE A 4 74.215 13.465 2.481 1.00 1.86 H new ATOM 0 HG23 ILE A 4 74.462 15.204 2.768 1.00 1.86 H new ATOM 0 HD11 ILE A 4 72.212 16.295 5.990 1.00 2.80 H new ATOM 0 HD12 ILE A 4 71.988 14.550 5.723 1.00 2.80 H new ATOM 0 HD13 ILE A 4 73.564 15.306 5.391 1.00 2.80 H new ATOM 41 N TYR A 5 71.529 12.527 1.023 1.00 0.88 N ATOM 42 CA TYR A 5 71.669 11.284 0.212 1.00 0.86 C ATOM 43 C TYR A 5 70.892 11.422 -1.100 1.00 0.78 C ATOM 44 O TYR A 5 71.275 10.883 -2.119 1.00 0.79 O ATOM 45 CB TYR A 5 71.067 10.175 1.077 1.00 1.02 C ATOM 46 CG TYR A 5 71.576 10.305 2.492 1.00 1.22 C ATOM 47 CD1 TYR A 5 72.921 10.044 2.779 1.00 1.94 C ATOM 48 CD2 TYR A 5 70.704 10.689 3.517 1.00 1.64 C ATOM 49 CE1 TYR A 5 73.394 10.166 4.092 1.00 2.20 C ATOM 50 CE2 TYR A 5 71.176 10.812 4.830 1.00 1.80 C ATOM 51 CZ TYR A 5 72.521 10.551 5.117 1.00 1.77 C ATOM 52 OH TYR A 5 72.987 10.672 6.410 1.00 2.07 O ATOM 0 H TYR A 5 70.871 12.466 1.800 1.00 0.88 H new ATOM 0 HA TYR A 5 72.706 11.077 -0.051 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.979 10.239 1.064 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.333 9.199 0.672 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.594 9.748 1.988 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.666 10.891 3.295 1.00 1.64 H new ATOM 0 HE1 TYR A 5 74.431 9.963 4.314 1.00 2.20 H new ATOM 0 HE2 TYR A 5 70.503 11.108 5.621 1.00 1.80 H new ATOM 0 HH TYR A 5 72.253 10.948 6.998 1.00 2.07 H new ATOM 62 N LYS A 6 69.804 12.142 -1.083 1.00 0.89 N ATOM 63 CA LYS A 6 69.005 12.314 -2.330 1.00 1.01 C ATOM 64 C LYS A 6 69.895 12.844 -3.457 1.00 0.98 C ATOM 65 O LYS A 6 69.941 12.289 -4.537 1.00 1.00 O ATOM 66 CB LYS A 6 67.924 13.336 -1.972 1.00 1.28 C ATOM 67 CG LYS A 6 66.568 12.841 -2.478 1.00 1.60 C ATOM 68 CD LYS A 6 66.597 12.747 -4.005 1.00 2.04 C ATOM 69 CE LYS A 6 65.272 13.260 -4.573 1.00 2.60 C ATOM 70 NZ LYS A 6 65.549 14.667 -4.976 1.00 3.24 N ATOM 0 H LYS A 6 69.434 12.618 -0.261 1.00 0.89 H new ATOM 0 HA LYS A 6 68.576 11.375 -2.679 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.890 13.483 -0.892 1.00 1.28 H new ATOM 0 HB3 LYS A 6 68.160 14.302 -2.418 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.341 11.866 -2.047 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.778 13.522 -2.160 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.426 13.334 -4.400 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.762 11.715 -4.313 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.949 12.661 -5.424 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.477 13.211 -3.829 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.687 15.090 -5.376 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.849 15.214 -4.144 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.305 14.681 -5.690 1.00 3.24 H new ATOM 84 N ALA A 7 70.606 13.911 -3.213 1.00 1.07 N ATOM 85 CA ALA A 7 71.496 14.471 -4.270 1.00 1.20 C ATOM 86 C ALA A 7 72.455 13.389 -4.773 1.00 1.08 C ATOM 87 O ALA A 7 72.886 13.407 -5.909 1.00 1.19 O ATOM 88 CB ALA A 7 72.268 15.597 -3.582 1.00 1.36 C ATOM 0 H ALA A 7 70.609 14.419 -2.328 1.00 1.07 H new ATOM 0 HA ALA A 7 70.939 14.831 -5.135 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.948 16.062 -4.296 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.567 16.344 -3.209 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.841 15.189 -2.749 1.00 1.36 H new ATOM 94 N ALA A 8 72.789 12.445 -3.936 1.00 0.95 N ATOM 95 CA ALA A 8 73.718 11.361 -4.365 1.00 0.96 C ATOM 96 C ALA A 8 72.974 10.346 -5.237 1.00 0.90 C ATOM 97 O ALA A 8 73.439 9.961 -6.292 1.00 1.01 O ATOM 98 CB ALA A 8 74.192 10.707 -3.067 1.00 0.98 C ATOM 0 H ALA A 8 72.459 12.377 -2.973 1.00 0.95 H new ATOM 0 HA ALA A 8 74.551 11.740 -4.957 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.882 9.896 -3.299 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.698 11.449 -2.450 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.334 10.309 -2.525 1.00 0.98 H new ATOM 104 N VAL A 9 71.821 9.912 -4.807 1.00 0.83 N ATOM 105 CA VAL A 9 71.049 8.925 -5.616 1.00 0.82 C ATOM 106 C VAL A 9 70.798 9.482 -7.020 1.00 0.97 C ATOM 107 O VAL A 9 70.509 8.750 -7.946 1.00 1.02 O ATOM 108 CB VAL A 9 69.728 8.742 -4.866 1.00 0.84 C ATOM 109 CG1 VAL A 9 68.726 8.018 -5.767 1.00 1.05 C ATOM 110 CG2 VAL A 9 69.969 7.910 -3.604 1.00 0.70 C ATOM 0 H VAL A 9 71.380 10.197 -3.932 1.00 0.83 H new ATOM 0 HA VAL A 9 71.580 7.981 -5.737 1.00 0.82 H new ATOM 0 HB VAL A 9 69.330 9.718 -4.589 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.785 7.887 -5.233 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.554 8.608 -6.667 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.125 7.042 -6.044 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.028 7.779 -3.069 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.367 6.934 -3.882 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.684 8.423 -2.961 1.00 0.70 H new ATOM 120 N GLU A 10 70.909 10.773 -7.184 1.00 1.12 N ATOM 121 CA GLU A 10 70.682 11.377 -8.528 1.00 1.32 C ATOM 122 C GLU A 10 71.923 11.187 -9.404 1.00 1.37 C ATOM 123 O GLU A 10 71.835 11.091 -10.612 1.00 1.56 O ATOM 124 CB GLU A 10 70.433 12.862 -8.259 1.00 1.51 C ATOM 125 CG GLU A 10 68.940 13.094 -8.017 1.00 1.80 C ATOM 126 CD GLU A 10 68.319 13.754 -9.249 1.00 2.02 C ATOM 127 OE1 GLU A 10 68.610 14.915 -9.485 1.00 2.28 O ATOM 128 OE2 GLU A 10 67.562 13.087 -9.935 1.00 2.61 O ATOM 0 H GLU A 10 71.147 11.435 -6.445 1.00 1.12 H new ATOM 0 HA GLU A 10 69.847 10.916 -9.055 1.00 1.32 H new ATOM 0 HB2 GLU A 10 71.008 13.187 -7.391 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.772 13.458 -9.107 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.443 12.146 -7.810 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.797 13.727 -7.141 1.00 1.80 H new ATOM 135 N GLN A 11 73.079 11.125 -8.801 1.00 1.29 N ATOM 136 CA GLN A 11 74.325 10.933 -9.596 1.00 1.45 C ATOM 137 C GLN A 11 74.538 9.444 -9.879 1.00 1.35 C ATOM 138 O GLN A 11 75.548 9.042 -10.422 1.00 1.53 O ATOM 139 CB GLN A 11 75.447 11.476 -8.711 1.00 1.61 C ATOM 140 CG GLN A 11 75.851 12.871 -9.192 1.00 2.13 C ATOM 141 CD GLN A 11 76.014 13.799 -7.987 1.00 2.44 C ATOM 142 OE1 GLN A 11 75.537 13.504 -6.909 1.00 2.96 O ATOM 143 NE2 GLN A 11 76.674 14.917 -8.123 1.00 2.71 N ATOM 0 H GLN A 11 73.214 11.199 -7.793 1.00 1.29 H new ATOM 0 HA GLN A 11 74.286 11.441 -10.560 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.116 11.520 -7.673 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.306 10.806 -8.744 1.00 1.61 H new ATOM 0 HG2 GLN A 11 76.784 12.818 -9.752 1.00 2.13 H new ATOM 0 HG3 GLN A 11 75.095 13.267 -9.870 1.00 2.13 H new ATOM 0 HE21 GLN A 11 77.075 15.166 -9.027 1.00 2.71 H new ATOM 0 HE22 GLN A 11 76.789 15.542 -7.325 1.00 2.71 H new ATOM 152 N LEU A 12 73.592 8.623 -9.511 1.00 1.18 N ATOM 153 CA LEU A 12 73.733 7.159 -9.752 1.00 1.21 C ATOM 154 C LEU A 12 73.722 6.864 -11.254 1.00 1.11 C ATOM 155 O LEU A 12 73.541 7.746 -12.070 1.00 1.25 O ATOM 156 CB LEU A 12 72.514 6.530 -9.077 1.00 1.32 C ATOM 157 CG LEU A 12 72.848 6.191 -7.624 1.00 1.38 C ATOM 158 CD1 LEU A 12 71.633 5.543 -6.960 1.00 1.49 C ATOM 159 CD2 LEU A 12 74.026 5.216 -7.586 1.00 1.68 C ATOM 0 H LEU A 12 72.725 8.904 -9.053 1.00 1.18 H new ATOM 0 HA LEU A 12 74.670 6.765 -9.358 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.670 7.218 -9.115 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.215 5.628 -9.612 1.00 1.32 H new ATOM 0 HG LEU A 12 73.112 7.104 -7.090 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.870 5.301 -5.924 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.791 6.235 -6.987 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.370 4.630 -7.495 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.265 4.974 -6.550 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.761 4.304 -8.120 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.893 5.675 -8.061 1.00 1.68 H new ATOM 171 N THR A 13 73.908 5.626 -11.623 1.00 1.05 N ATOM 172 CA THR A 13 73.903 5.268 -13.070 1.00 1.13 C ATOM 173 C THR A 13 72.678 4.409 -13.390 1.00 0.94 C ATOM 174 O THR A 13 72.206 3.653 -12.564 1.00 0.87 O ATOM 175 CB THR A 13 75.190 4.469 -13.283 1.00 1.38 C ATOM 176 OG1 THR A 13 75.401 3.610 -12.171 1.00 1.89 O ATOM 177 CG2 THR A 13 76.373 5.429 -13.418 1.00 1.68 C ATOM 0 H THR A 13 74.063 4.846 -10.984 1.00 1.05 H new ATOM 0 HA THR A 13 73.857 6.144 -13.717 1.00 1.13 H new ATOM 0 HB THR A 13 75.102 3.874 -14.192 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.225 3.096 -12.306 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.289 4.858 -13.570 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.211 6.089 -14.271 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.463 6.025 -12.510 1.00 1.68 H new ATOM 185 N GLU A 14 72.157 4.518 -14.582 1.00 0.94 N ATOM 186 CA GLU A 14 70.962 3.706 -14.949 1.00 0.90 C ATOM 187 C GLU A 14 71.124 2.270 -14.442 1.00 0.82 C ATOM 188 O GLU A 14 70.159 1.596 -14.138 1.00 0.82 O ATOM 189 CB GLU A 14 70.915 3.736 -16.478 1.00 1.05 C ATOM 190 CG GLU A 14 69.610 4.389 -16.939 1.00 2.10 C ATOM 191 CD GLU A 14 69.329 3.996 -18.391 1.00 2.64 C ATOM 192 OE1 GLU A 14 70.188 4.233 -19.225 1.00 2.91 O ATOM 193 OE2 GLU A 14 68.261 3.465 -18.644 1.00 3.31 O ATOM 0 H GLU A 14 72.507 5.133 -15.317 1.00 0.94 H new ATOM 0 HA GLU A 14 70.045 4.096 -14.508 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.768 4.291 -16.867 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.986 2.723 -16.874 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.786 4.072 -16.299 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.683 5.473 -16.852 1.00 2.10 H new ATOM 200 N GLU A 15 72.337 1.797 -14.346 1.00 0.92 N ATOM 201 CA GLU A 15 72.557 0.406 -13.856 1.00 1.01 C ATOM 202 C GLU A 15 72.233 0.315 -12.362 1.00 0.90 C ATOM 203 O GLU A 15 71.873 -0.730 -11.857 1.00 0.89 O ATOM 204 CB GLU A 15 74.040 0.128 -14.101 1.00 1.23 C ATOM 205 CG GLU A 15 74.227 -0.443 -15.508 1.00 1.92 C ATOM 206 CD GLU A 15 75.055 -1.727 -15.434 1.00 2.37 C ATOM 207 OE1 GLU A 15 74.465 -2.780 -15.260 1.00 2.90 O ATOM 208 OE2 GLU A 15 76.266 -1.635 -15.553 1.00 2.80 O ATOM 0 H GLU A 15 73.184 2.313 -14.585 1.00 0.92 H new ATOM 0 HA GLU A 15 71.919 -0.317 -14.364 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.616 1.047 -13.990 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.416 -0.576 -13.359 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.257 -0.649 -15.960 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.726 0.288 -16.145 1.00 1.92 H new ATOM 215 N GLN A 16 72.356 1.403 -11.652 1.00 0.89 N ATOM 216 CA GLN A 16 72.055 1.378 -10.193 1.00 0.87 C ATOM 217 C GLN A 16 70.560 1.607 -9.956 1.00 0.68 C ATOM 218 O GLN A 16 69.911 0.857 -9.255 1.00 0.67 O ATOM 219 CB GLN A 16 72.872 2.526 -9.599 1.00 0.97 C ATOM 220 CG GLN A 16 73.783 1.986 -8.495 1.00 1.77 C ATOM 221 CD GLN A 16 75.221 2.441 -8.749 1.00 2.15 C ATOM 222 OE1 GLN A 16 75.670 2.473 -9.878 1.00 2.42 O ATOM 223 NE2 GLN A 16 75.967 2.797 -7.740 1.00 2.61 N ATOM 0 H GLN A 16 72.652 2.308 -12.019 1.00 0.89 H new ATOM 0 HA GLN A 16 72.306 0.420 -9.738 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.469 3.002 -10.377 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.207 3.289 -9.195 1.00 0.97 H new ATOM 0 HG2 GLN A 16 73.444 2.343 -7.523 1.00 1.77 H new ATOM 0 HG3 GLN A 16 73.734 0.897 -8.469 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.590 2.770 -6.793 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.927 3.102 -7.898 1.00 2.61 H new ATOM 232 N LYS A 17 70.008 2.639 -10.536 1.00 0.63 N ATOM 233 CA LYS A 17 68.555 2.913 -10.341 1.00 0.62 C ATOM 234 C LYS A 17 67.723 1.713 -10.804 1.00 0.60 C ATOM 235 O LYS A 17 66.833 1.261 -10.112 1.00 0.66 O ATOM 236 CB LYS A 17 68.264 4.137 -11.211 1.00 0.74 C ATOM 237 CG LYS A 17 66.978 4.813 -10.732 1.00 1.21 C ATOM 238 CD LYS A 17 67.232 6.308 -10.520 1.00 1.31 C ATOM 239 CE LYS A 17 68.386 6.497 -9.533 1.00 1.43 C ATOM 240 NZ LYS A 17 68.041 7.728 -8.768 1.00 2.06 N ATOM 0 H LYS A 17 70.499 3.303 -11.135 1.00 0.63 H new ATOM 0 HA LYS A 17 68.303 3.087 -9.295 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.097 4.839 -11.159 1.00 0.74 H new ATOM 0 HB3 LYS A 17 68.163 3.838 -12.254 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.185 4.669 -11.465 1.00 1.21 H new ATOM 0 HG3 LYS A 17 66.639 4.356 -9.802 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.471 6.785 -11.470 1.00 1.31 H new ATOM 0 HD3 LYS A 17 66.332 6.790 -10.139 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.485 5.636 -8.872 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.337 6.610 -10.054 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.912 8.171 -8.413 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.542 8.395 -9.391 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.428 7.478 -7.966 1.00 2.06 H new ATOM 254 N ASN A 18 68.006 1.194 -11.967 1.00 0.70 N ATOM 255 CA ASN A 18 67.230 0.023 -12.469 1.00 0.85 C ATOM 256 C ASN A 18 67.405 -1.169 -11.525 1.00 0.70 C ATOM 257 O ASN A 18 66.446 -1.725 -11.027 1.00 0.66 O ATOM 258 CB ASN A 18 67.825 -0.291 -13.842 1.00 1.11 C ATOM 259 CG ASN A 18 67.132 0.562 -14.906 1.00 1.68 C ATOM 260 OD1 ASN A 18 65.961 0.865 -14.791 1.00 2.15 O ATOM 261 ND2 ASN A 18 67.810 0.963 -15.947 1.00 2.13 N ATOM 0 H ASN A 18 68.740 1.529 -12.591 1.00 0.70 H new ATOM 0 HA ASN A 18 66.162 0.231 -12.527 1.00 0.85 H new ATOM 0 HB2 ASN A 18 68.896 -0.090 -13.840 1.00 1.11 H new ATOM 0 HB3 ASN A 18 67.700 -1.349 -14.071 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.357 1.530 -16.663 1.00 2.13 H new ATOM 0 HD22 ASN A 18 68.793 0.709 -16.044 1.00 2.13 H new ATOM 268 N GLU A 19 68.623 -1.565 -11.276 1.00 0.76 N ATOM 269 CA GLU A 19 68.862 -2.721 -10.366 1.00 0.79 C ATOM 270 C GLU A 19 68.098 -2.528 -9.053 1.00 0.65 C ATOM 271 O GLU A 19 67.553 -3.462 -8.497 1.00 0.66 O ATOM 272 CB GLU A 19 70.370 -2.720 -10.114 1.00 0.98 C ATOM 273 CG GLU A 19 70.773 -4.024 -9.425 1.00 1.21 C ATOM 274 CD GLU A 19 72.133 -3.843 -8.748 1.00 1.82 C ATOM 275 OE1 GLU A 19 72.217 -3.035 -7.838 1.00 2.44 O ATOM 276 OE2 GLU A 19 73.068 -4.515 -9.152 1.00 2.53 O ATOM 0 H GLU A 19 69.464 -1.138 -11.664 1.00 0.76 H new ATOM 0 HA GLU A 19 68.521 -3.663 -10.796 1.00 0.79 H new ATOM 0 HB2 GLU A 19 70.907 -2.613 -11.057 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.645 -1.868 -9.492 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.022 -4.305 -8.687 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.822 -4.833 -10.154 1.00 1.21 H new ATOM 283 N PHE A 20 68.054 -1.324 -8.554 1.00 0.67 N ATOM 284 CA PHE A 20 67.324 -1.073 -7.278 1.00 0.75 C ATOM 285 C PHE A 20 65.836 -1.392 -7.451 1.00 0.66 C ATOM 286 O PHE A 20 65.356 -2.416 -7.009 1.00 0.79 O ATOM 287 CB PHE A 20 67.527 0.416 -6.992 1.00 0.97 C ATOM 288 CG PHE A 20 68.891 0.631 -6.381 1.00 1.44 C ATOM 289 CD1 PHE A 20 69.348 -0.221 -5.368 1.00 2.24 C ATOM 290 CD2 PHE A 20 69.700 1.683 -6.828 1.00 2.35 C ATOM 291 CE1 PHE A 20 70.613 -0.021 -4.802 1.00 3.29 C ATOM 292 CE2 PHE A 20 70.965 1.883 -6.262 1.00 3.36 C ATOM 293 CZ PHE A 20 71.421 1.031 -5.249 1.00 3.69 C ATOM 0 H PHE A 20 68.491 -0.503 -8.973 1.00 0.67 H new ATOM 0 HA PHE A 20 67.689 -1.696 -6.462 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.435 0.990 -7.914 1.00 0.97 H new ATOM 0 HB3 PHE A 20 66.753 0.776 -6.314 1.00 0.97 H new ATOM 0 HD1 PHE A 20 68.725 -1.033 -5.023 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.348 2.340 -7.609 1.00 2.35 H new ATOM 0 HE1 PHE A 20 70.965 -0.678 -4.021 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.589 2.694 -6.607 1.00 3.36 H new ATOM 0 HZ PHE A 20 72.397 1.185 -4.812 1.00 3.69 H new ATOM 303 N LYS A 21 65.103 -0.522 -8.092 1.00 0.60 N ATOM 304 CA LYS A 21 63.648 -0.778 -8.292 1.00 0.65 C ATOM 305 C LYS A 21 63.423 -2.219 -8.761 1.00 0.57 C ATOM 306 O LYS A 21 62.589 -2.930 -8.237 1.00 0.57 O ATOM 307 CB LYS A 21 63.212 0.213 -9.374 1.00 0.78 C ATOM 308 CG LYS A 21 64.151 0.118 -10.579 1.00 1.27 C ATOM 309 CD LYS A 21 64.070 1.412 -11.392 1.00 1.58 C ATOM 310 CE LYS A 21 64.666 2.565 -10.581 1.00 2.42 C ATOM 311 NZ LYS A 21 63.714 3.696 -10.764 1.00 2.88 N ATOM 0 H LYS A 21 65.448 0.354 -8.485 1.00 0.60 H new ATOM 0 HA LYS A 21 63.078 -0.651 -7.372 1.00 0.65 H new ATOM 0 HB2 LYS A 21 62.188 0.000 -9.682 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.221 1.227 -8.975 1.00 0.78 H new ATOM 0 HG2 LYS A 21 65.174 -0.050 -10.244 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.876 -0.733 -11.202 1.00 1.27 H new ATOM 0 HD2 LYS A 21 64.610 1.298 -12.332 1.00 1.58 H new ATOM 0 HD3 LYS A 21 63.033 1.630 -11.645 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.765 2.298 -9.529 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.662 2.826 -10.938 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 64.055 4.525 -10.237 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 63.646 3.932 -11.775 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.776 3.421 -10.409 1.00 2.88 H new ATOM 325 N ALA A 22 64.164 -2.654 -9.741 1.00 0.59 N ATOM 326 CA ALA A 22 63.996 -4.048 -10.242 1.00 0.62 C ATOM 327 C ALA A 22 64.153 -5.039 -9.088 1.00 0.50 C ATOM 328 O ALA A 22 63.234 -5.753 -8.739 1.00 0.50 O ATOM 329 CB ALA A 22 65.113 -4.237 -11.269 1.00 0.76 C ATOM 0 H ALA A 22 64.879 -2.105 -10.218 1.00 0.59 H new ATOM 0 HA ALA A 22 63.012 -4.218 -10.678 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.058 -5.243 -11.686 1.00 0.76 H new ATOM 0 HB2 ALA A 22 64.999 -3.506 -12.069 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.080 -4.098 -10.785 1.00 0.76 H new ATOM 335 N ALA A 23 65.310 -5.084 -8.486 1.00 0.50 N ATOM 336 CA ALA A 23 65.520 -6.024 -7.349 1.00 0.53 C ATOM 337 C ALA A 23 64.449 -5.789 -6.282 1.00 0.46 C ATOM 338 O ALA A 23 63.964 -6.712 -5.659 1.00 0.52 O ATOM 339 CB ALA A 23 66.908 -5.687 -6.803 1.00 0.64 C ATOM 0 H ALA A 23 66.118 -4.511 -8.732 1.00 0.50 H new ATOM 0 HA ALA A 23 65.451 -7.069 -7.652 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.136 -6.340 -5.960 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.652 -5.832 -7.586 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.927 -4.648 -6.473 1.00 0.64 H new ATOM 345 N PHE A 24 64.070 -4.557 -6.075 1.00 0.47 N ATOM 346 CA PHE A 24 63.024 -4.257 -5.058 1.00 0.57 C ATOM 347 C PHE A 24 61.741 -5.026 -5.392 1.00 0.48 C ATOM 348 O PHE A 24 61.311 -5.889 -4.653 1.00 0.51 O ATOM 349 CB PHE A 24 62.799 -2.745 -5.165 1.00 0.77 C ATOM 350 CG PHE A 24 61.463 -2.378 -4.564 1.00 0.90 C ATOM 351 CD1 PHE A 24 60.310 -2.389 -5.359 1.00 1.58 C ATOM 352 CD2 PHE A 24 61.377 -2.026 -3.212 1.00 1.54 C ATOM 353 CE1 PHE A 24 59.072 -2.050 -4.802 1.00 1.72 C ATOM 354 CE2 PHE A 24 60.138 -1.686 -2.654 1.00 1.62 C ATOM 355 CZ PHE A 24 58.986 -1.698 -3.449 1.00 1.25 C ATOM 0 H PHE A 24 64.441 -3.744 -6.568 1.00 0.47 H new ATOM 0 HA PHE A 24 63.316 -4.551 -4.050 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.598 -2.213 -4.649 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.834 -2.437 -6.210 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.376 -2.659 -6.403 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.266 -2.017 -2.599 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.183 -2.060 -5.415 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.072 -1.415 -1.611 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.031 -1.436 -3.019 1.00 1.25 H new ATOM 365 N ASP A 25 61.130 -4.718 -6.503 1.00 0.45 N ATOM 366 CA ASP A 25 59.877 -5.428 -6.891 1.00 0.53 C ATOM 367 C ASP A 25 60.069 -6.943 -6.785 1.00 0.52 C ATOM 368 O ASP A 25 59.227 -7.650 -6.267 1.00 0.60 O ATOM 369 CB ASP A 25 59.629 -5.023 -8.344 1.00 0.66 C ATOM 370 CG ASP A 25 58.123 -4.965 -8.608 1.00 0.98 C ATOM 371 OD1 ASP A 25 57.485 -6.000 -8.508 1.00 1.52 O ATOM 372 OD2 ASP A 25 57.635 -3.888 -8.906 1.00 1.55 O ATOM 0 H ASP A 25 61.444 -4.004 -7.160 1.00 0.45 H new ATOM 0 HA ASP A 25 59.039 -5.169 -6.243 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.082 -4.052 -8.544 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.100 -5.739 -9.018 1.00 0.66 H new ATOM 377 N ILE A 26 61.169 -7.447 -7.274 1.00 0.50 N ATOM 378 CA ILE A 26 61.411 -8.917 -7.203 1.00 0.63 C ATOM 379 C ILE A 26 61.460 -9.374 -5.743 1.00 0.70 C ATOM 380 O ILE A 26 61.000 -10.446 -5.402 1.00 0.94 O ATOM 381 CB ILE A 26 62.768 -9.129 -7.876 1.00 0.68 C ATOM 382 CG1 ILE A 26 62.716 -8.602 -9.312 1.00 0.72 C ATOM 383 CG2 ILE A 26 63.100 -10.623 -7.896 1.00 0.94 C ATOM 384 CD1 ILE A 26 64.139 -8.420 -9.841 1.00 0.69 C ATOM 0 H ILE A 26 61.910 -6.906 -7.719 1.00 0.50 H new ATOM 0 HA ILE A 26 60.621 -9.489 -7.689 1.00 0.63 H new ATOM 0 HB ILE A 26 63.535 -8.592 -7.319 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.167 -9.298 -9.946 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.181 -7.653 -9.343 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.067 -10.774 -8.376 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.138 -11.001 -6.874 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.331 -11.159 -8.452 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.102 -8.045 -10.864 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.673 -7.707 -9.212 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.659 -9.378 -9.825 1.00 0.69 H new ATOM 396 N PHE A 27 62.013 -8.569 -4.880 1.00 0.61 N ATOM 397 CA PHE A 27 62.093 -8.955 -3.442 1.00 0.79 C ATOM 398 C PHE A 27 60.839 -8.489 -2.700 1.00 0.76 C ATOM 399 O PHE A 27 60.540 -8.949 -1.615 1.00 1.03 O ATOM 400 CB PHE A 27 63.330 -8.233 -2.909 1.00 0.91 C ATOM 401 CG PHE A 27 64.571 -8.936 -3.402 1.00 1.45 C ATOM 402 CD1 PHE A 27 64.723 -10.312 -3.196 1.00 2.07 C ATOM 403 CD2 PHE A 27 65.568 -8.212 -4.067 1.00 2.23 C ATOM 404 CE1 PHE A 27 65.873 -10.965 -3.655 1.00 2.83 C ATOM 405 CE2 PHE A 27 66.718 -8.865 -4.526 1.00 3.07 C ATOM 406 CZ PHE A 27 66.871 -10.242 -4.320 1.00 3.21 C ATOM 0 H PHE A 27 62.414 -7.659 -5.108 1.00 0.61 H new ATOM 0 HA PHE A 27 62.160 -10.034 -3.306 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.330 -7.195 -3.241 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.315 -8.219 -1.819 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.953 -10.870 -2.683 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.450 -7.150 -4.226 1.00 2.23 H new ATOM 0 HE1 PHE A 27 65.991 -12.027 -3.496 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.487 -8.307 -5.039 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.758 -10.746 -4.674 1.00 3.21 H new ATOM 416 N VAL A 28 60.103 -7.578 -3.275 1.00 0.63 N ATOM 417 CA VAL A 28 58.870 -7.083 -2.600 1.00 0.65 C ATOM 418 C VAL A 28 57.729 -8.095 -2.786 1.00 0.65 C ATOM 419 O VAL A 28 56.678 -7.978 -2.189 1.00 0.74 O ATOM 420 CB VAL A 28 58.570 -5.733 -3.279 1.00 0.68 C ATOM 421 CG1 VAL A 28 57.419 -5.861 -4.285 1.00 1.10 C ATOM 422 CG2 VAL A 28 58.192 -4.705 -2.212 1.00 1.47 C ATOM 0 H VAL A 28 60.302 -7.155 -4.182 1.00 0.63 H new ATOM 0 HA VAL A 28 58.987 -6.961 -1.523 1.00 0.65 H new ATOM 0 HB VAL A 28 59.463 -5.413 -3.816 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.231 -4.892 -4.748 1.00 1.10 H new ATOM 0 HG12 VAL A 28 57.687 -6.585 -5.055 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.520 -6.197 -3.768 1.00 1.10 H new ATOM 0 HG21 VAL A 28 57.979 -3.748 -2.688 1.00 1.47 H new ATOM 0 HG22 VAL A 28 57.308 -5.047 -1.674 1.00 1.47 H new ATOM 0 HG23 VAL A 28 59.019 -4.586 -1.512 1.00 1.47 H new ATOM 432 N LEU A 29 57.935 -9.086 -3.610 1.00 0.92 N ATOM 433 CA LEU A 29 56.870 -10.105 -3.836 1.00 0.99 C ATOM 434 C LEU A 29 56.376 -10.660 -2.498 1.00 0.99 C ATOM 435 O LEU A 29 57.020 -11.488 -1.884 1.00 1.10 O ATOM 436 CB LEU A 29 57.547 -11.206 -4.652 1.00 1.43 C ATOM 437 CG LEU A 29 57.095 -11.118 -6.110 1.00 1.74 C ATOM 438 CD1 LEU A 29 55.590 -11.379 -6.196 1.00 2.11 C ATOM 439 CD2 LEU A 29 57.401 -9.722 -6.656 1.00 2.45 C ATOM 0 H LEU A 29 58.796 -9.234 -4.137 1.00 0.92 H new ATOM 0 HA LEU A 29 56.002 -9.689 -4.348 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.630 -11.104 -4.590 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.295 -12.184 -4.241 1.00 1.43 H new ATOM 0 HG LEU A 29 57.627 -11.864 -6.700 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.269 -11.316 -7.236 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.370 -12.374 -5.808 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.057 -10.633 -5.606 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.079 -9.659 -7.695 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.869 -8.976 -6.066 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.473 -9.535 -6.597 1.00 2.45 H new ATOM 451 N GLY A 30 55.239 -10.213 -2.042 1.00 1.16 N ATOM 452 CA GLY A 30 54.708 -10.719 -0.744 1.00 1.58 C ATOM 453 C GLY A 30 55.444 -10.039 0.412 1.00 1.39 C ATOM 454 O GLY A 30 55.218 -10.343 1.566 1.00 1.89 O ATOM 0 H GLY A 30 54.655 -9.520 -2.511 1.00 1.16 H new ATOM 0 HA2 GLY A 30 53.639 -10.520 -0.675 1.00 1.58 H new ATOM 0 HA3 GLY A 30 54.836 -11.800 -0.684 1.00 1.58 H new ATOM 458 N ALA A 31 56.323 -9.121 0.112 1.00 0.90 N ATOM 459 CA ALA A 31 57.073 -8.423 1.198 1.00 0.95 C ATOM 460 C ALA A 31 56.121 -8.020 2.328 1.00 1.15 C ATOM 461 O ALA A 31 54.916 -8.127 2.209 1.00 1.41 O ATOM 462 CB ALA A 31 57.671 -7.183 0.533 1.00 0.97 C ATOM 0 H ALA A 31 56.554 -8.824 -0.836 1.00 0.90 H new ATOM 0 HA ALA A 31 57.840 -9.058 1.642 1.00 0.95 H new ATOM 0 HB1 ALA A 31 58.240 -6.614 1.269 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.331 -7.488 -0.279 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.869 -6.561 0.135 1.00 0.97 H new ATOM 468 N GLU A 32 56.654 -7.556 3.425 1.00 1.35 N ATOM 469 CA GLU A 32 55.783 -7.146 4.565 1.00 1.90 C ATOM 470 C GLU A 32 54.742 -6.122 4.103 1.00 2.05 C ATOM 471 O GLU A 32 53.575 -6.224 4.422 1.00 2.79 O ATOM 472 CB GLU A 32 56.735 -6.520 5.584 1.00 2.37 C ATOM 473 CG GLU A 32 55.927 -5.755 6.634 1.00 2.44 C ATOM 474 CD GLU A 32 56.425 -6.126 8.032 1.00 2.83 C ATOM 475 OE1 GLU A 32 57.388 -5.523 8.475 1.00 3.24 O ATOM 476 OE2 GLU A 32 55.834 -7.006 8.635 1.00 3.29 O ATOM 0 H GLU A 32 57.655 -7.443 3.582 1.00 1.35 H new ATOM 0 HA GLU A 32 55.231 -7.988 4.983 1.00 1.90 H new ATOM 0 HB2 GLU A 32 57.333 -7.295 6.063 1.00 2.37 H new ATOM 0 HB3 GLU A 32 57.430 -5.846 5.083 1.00 2.37 H new ATOM 0 HG2 GLU A 32 56.027 -4.681 6.474 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.868 -5.994 6.538 1.00 2.44 H new ATOM 483 N ASP A 33 55.156 -5.135 3.356 1.00 1.80 N ATOM 484 CA ASP A 33 54.186 -4.106 2.880 1.00 2.11 C ATOM 485 C ASP A 33 54.663 -3.497 1.559 1.00 1.47 C ATOM 486 O ASP A 33 55.132 -2.377 1.516 1.00 1.80 O ATOM 487 CB ASP A 33 54.161 -3.046 3.982 1.00 3.12 C ATOM 488 CG ASP A 33 52.866 -2.237 3.887 1.00 3.68 C ATOM 489 OD1 ASP A 33 51.972 -2.669 3.178 1.00 4.12 O ATOM 490 OD2 ASP A 33 52.791 -1.200 4.524 1.00 4.09 O ATOM 0 H ASP A 33 56.121 -4.996 3.055 1.00 1.80 H new ATOM 0 HA ASP A 33 53.197 -4.526 2.695 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.233 -3.522 4.960 1.00 3.12 H new ATOM 0 HB3 ASP A 33 55.022 -2.385 3.885 1.00 3.12 H new ATOM 495 N GLY A 34 54.544 -4.226 0.481 1.00 1.10 N ATOM 496 CA GLY A 34 54.989 -3.690 -0.839 1.00 1.40 C ATOM 497 C GLY A 34 56.325 -2.964 -0.675 1.00 1.17 C ATOM 498 O GLY A 34 56.564 -1.939 -1.282 1.00 1.39 O ATOM 0 H GLY A 34 54.158 -5.170 0.457 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.092 -4.504 -1.557 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.239 -3.007 -1.237 1.00 1.40 H new ATOM 502 N SER A 35 57.198 -3.486 0.142 1.00 0.84 N ATOM 503 CA SER A 35 58.518 -2.823 0.348 1.00 0.70 C ATOM 504 C SER A 35 59.528 -3.823 0.915 1.00 0.67 C ATOM 505 O SER A 35 59.243 -4.995 1.061 1.00 0.80 O ATOM 506 CB SER A 35 58.246 -1.708 1.356 1.00 0.75 C ATOM 507 OG SER A 35 57.927 -0.511 0.660 1.00 1.04 O ATOM 0 H SER A 35 57.055 -4.343 0.676 1.00 0.84 H new ATOM 0 HA SER A 35 58.938 -2.439 -0.582 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.424 -1.990 2.014 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.120 -1.552 1.988 1.00 0.75 H new ATOM 0 HG SER A 35 57.391 -0.726 -0.132 1.00 1.04 H new ATOM 513 N ILE A 36 60.707 -3.368 1.241 1.00 0.69 N ATOM 514 CA ILE A 36 61.736 -4.292 1.804 1.00 0.78 C ATOM 515 C ILE A 36 62.339 -3.691 3.074 1.00 0.71 C ATOM 516 O ILE A 36 63.200 -2.836 3.020 1.00 0.98 O ATOM 517 CB ILE A 36 62.821 -4.456 0.724 1.00 1.00 C ATOM 518 CG1 ILE A 36 62.760 -3.306 -0.292 1.00 1.09 C ATOM 519 CG2 ILE A 36 62.610 -5.786 0.000 1.00 1.36 C ATOM 520 CD1 ILE A 36 63.745 -3.576 -1.431 1.00 1.22 C ATOM 0 H ILE A 36 61.003 -2.397 1.142 1.00 0.69 H new ATOM 0 HA ILE A 36 61.300 -5.255 2.068 1.00 0.78 H new ATOM 0 HB ILE A 36 63.799 -4.440 1.205 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.749 -3.210 -0.687 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.003 -2.362 0.196 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.375 -5.908 -0.766 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.679 -6.605 0.716 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.625 -5.794 -0.466 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.701 -2.759 -2.151 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.755 -3.651 -1.028 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.482 -4.511 -1.926 1.00 1.22 H new ATOM 532 N SER A 37 61.892 -4.132 4.216 1.00 0.87 N ATOM 533 CA SER A 37 62.438 -3.586 5.489 1.00 0.87 C ATOM 534 C SER A 37 63.762 -4.270 5.833 1.00 0.76 C ATOM 535 O SER A 37 64.181 -5.201 5.175 1.00 0.87 O ATOM 536 CB SER A 37 61.380 -3.907 6.543 1.00 1.12 C ATOM 537 OG SER A 37 60.089 -3.670 5.999 1.00 1.52 O ATOM 0 H SER A 37 61.172 -4.847 4.323 1.00 0.87 H new ATOM 0 HA SER A 37 62.640 -2.517 5.426 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.469 -4.946 6.859 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.533 -3.290 7.428 1.00 1.12 H new ATOM 0 HG SER A 37 59.407 -4.024 6.608 1.00 1.52 H new ATOM 543 N THR A 38 64.422 -3.817 6.863 1.00 0.71 N ATOM 544 CA THR A 38 65.719 -4.441 7.255 1.00 0.65 C ATOM 545 C THR A 38 65.620 -5.968 7.183 1.00 0.70 C ATOM 546 O THR A 38 66.608 -6.654 7.011 1.00 1.37 O ATOM 547 CB THR A 38 65.974 -3.982 8.695 1.00 0.76 C ATOM 548 OG1 THR A 38 66.877 -4.882 9.323 1.00 1.55 O ATOM 549 CG2 THR A 38 64.659 -3.955 9.470 1.00 1.00 C ATOM 0 H THR A 38 64.119 -3.041 7.451 1.00 0.71 H new ATOM 0 HA THR A 38 66.530 -4.146 6.590 1.00 0.65 H new ATOM 0 HB THR A 38 66.404 -2.980 8.684 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.043 -4.590 10.244 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.846 -3.628 10.493 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.967 -3.264 8.989 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.223 -4.954 9.482 1.00 1.00 H new ATOM 557 N LYS A 39 64.438 -6.506 7.314 1.00 0.60 N ATOM 558 CA LYS A 39 64.282 -7.988 7.252 1.00 0.66 C ATOM 559 C LYS A 39 64.203 -8.457 5.795 1.00 0.64 C ATOM 560 O LYS A 39 64.494 -9.595 5.484 1.00 0.87 O ATOM 561 CB LYS A 39 62.969 -8.278 7.981 1.00 0.81 C ATOM 562 CG LYS A 39 63.264 -8.672 9.431 1.00 1.42 C ATOM 563 CD LYS A 39 64.216 -7.651 10.056 1.00 1.58 C ATOM 564 CE LYS A 39 64.593 -8.101 11.470 1.00 2.15 C ATOM 565 NZ LYS A 39 63.415 -7.753 12.313 1.00 2.80 N ATOM 0 H LYS A 39 63.574 -5.984 7.461 1.00 0.60 H new ATOM 0 HA LYS A 39 65.125 -8.509 7.705 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.325 -7.399 7.956 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.431 -9.081 7.477 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.337 -8.717 10.002 1.00 1.42 H new ATOM 0 HG3 LYS A 39 63.708 -9.667 9.465 1.00 1.42 H new ATOM 0 HD2 LYS A 39 65.112 -7.552 9.444 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.743 -6.670 10.090 1.00 1.58 H new ATOM 0 HE2 LYS A 39 64.799 -9.171 11.502 1.00 2.15 H new ATOM 0 HE3 LYS A 39 65.492 -7.593 11.819 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.686 -7.024 13.004 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 62.650 -7.391 11.708 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 63.086 -8.601 12.816 1.00 2.80 H new ATOM 579 N GLU A 40 63.811 -7.591 4.898 1.00 0.63 N ATOM 580 CA GLU A 40 63.716 -7.995 3.467 1.00 0.68 C ATOM 581 C GLU A 40 64.902 -7.431 2.679 1.00 0.66 C ATOM 582 O GLU A 40 65.429 -8.069 1.790 1.00 0.83 O ATOM 583 CB GLU A 40 62.404 -7.383 2.973 1.00 0.86 C ATOM 584 CG GLU A 40 61.444 -8.499 2.554 1.00 1.05 C ATOM 585 CD GLU A 40 62.118 -9.389 1.508 1.00 1.54 C ATOM 586 OE1 GLU A 40 63.274 -9.141 1.205 1.00 2.32 O ATOM 587 OE2 GLU A 40 61.468 -10.302 1.027 1.00 1.92 O ATOM 0 H GLU A 40 63.553 -6.624 5.095 1.00 0.63 H new ATOM 0 HA GLU A 40 63.736 -9.077 3.339 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.954 -6.778 3.760 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.595 -6.718 2.131 1.00 0.86 H new ATOM 0 HG2 GLU A 40 61.159 -9.093 3.423 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.528 -8.071 2.146 1.00 1.05 H new ATOM 594 N LEU A 41 65.324 -6.238 3.000 1.00 0.73 N ATOM 595 CA LEU A 41 66.475 -5.633 2.271 1.00 0.80 C ATOM 596 C LEU A 41 67.727 -6.495 2.446 1.00 0.72 C ATOM 597 O LEU A 41 68.567 -6.573 1.571 1.00 0.81 O ATOM 598 CB LEU A 41 66.673 -4.261 2.915 1.00 1.10 C ATOM 599 CG LEU A 41 67.356 -3.323 1.918 1.00 1.23 C ATOM 600 CD1 LEU A 41 68.715 -3.901 1.522 1.00 1.94 C ATOM 601 CD2 LEU A 41 66.480 -3.183 0.671 1.00 1.83 C ATOM 0 H LEU A 41 64.922 -5.657 3.735 1.00 0.73 H new ATOM 0 HA LEU A 41 66.291 -5.558 1.199 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.711 -3.848 3.219 1.00 1.10 H new ATOM 0 HB3 LEU A 41 67.279 -4.355 3.816 1.00 1.10 H new ATOM 0 HG LEU A 41 67.497 -2.345 2.377 1.00 1.23 H new ATOM 0 HD11 LEU A 41 69.202 -3.233 0.812 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.339 -4.004 2.410 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.574 -4.879 1.062 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.965 -2.515 -0.041 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.340 -4.162 0.213 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.510 -2.772 0.952 1.00 1.83 H new ATOM 613 N GLY A 42 67.861 -7.143 3.571 1.00 0.72 N ATOM 614 CA GLY A 42 69.059 -7.998 3.799 1.00 0.91 C ATOM 615 C GLY A 42 69.327 -8.846 2.554 1.00 0.78 C ATOM 616 O GLY A 42 70.272 -8.617 1.826 1.00 0.84 O ATOM 0 H GLY A 42 67.193 -7.117 4.341 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.926 -7.376 4.021 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.899 -8.643 4.663 1.00 0.91 H new ATOM 620 N LYS A 43 68.503 -9.827 2.306 1.00 0.77 N ATOM 621 CA LYS A 43 68.710 -10.693 1.109 1.00 0.86 C ATOM 622 C LYS A 43 68.829 -9.837 -0.155 1.00 0.79 C ATOM 623 O LYS A 43 69.403 -10.249 -1.143 1.00 0.99 O ATOM 624 CB LYS A 43 67.466 -11.579 1.044 1.00 0.95 C ATOM 625 CG LYS A 43 67.838 -13.009 1.438 1.00 1.34 C ATOM 626 CD LYS A 43 68.238 -13.044 2.915 1.00 2.13 C ATOM 627 CE LYS A 43 66.980 -13.015 3.787 1.00 2.65 C ATOM 628 NZ LYS A 43 66.933 -14.354 4.437 1.00 2.98 N ATOM 0 H LYS A 43 67.695 -10.067 2.880 1.00 0.77 H new ATOM 0 HA LYS A 43 69.626 -11.279 1.178 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.697 -11.194 1.714 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.048 -11.565 0.037 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.995 -13.677 1.263 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.661 -13.366 0.819 1.00 1.34 H new ATOM 0 HD2 LYS A 43 68.817 -13.943 3.124 1.00 2.13 H new ATOM 0 HD3 LYS A 43 68.876 -12.192 3.150 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.032 -12.218 4.528 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.088 -12.835 3.187 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 66.097 -14.412 5.052 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 66.878 -15.093 3.707 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 67.792 -14.494 5.006 1.00 2.98 H new ATOM 642 N VAL A 44 68.293 -8.648 -0.133 1.00 0.72 N ATOM 643 CA VAL A 44 68.379 -7.770 -1.335 1.00 0.93 C ATOM 644 C VAL A 44 69.699 -6.993 -1.328 1.00 0.89 C ATOM 645 O VAL A 44 70.185 -6.568 -2.357 1.00 1.06 O ATOM 646 CB VAL A 44 67.193 -6.814 -1.212 1.00 1.18 C ATOM 647 CG1 VAL A 44 67.241 -5.789 -2.347 1.00 1.72 C ATOM 648 CG2 VAL A 44 65.888 -7.608 -1.301 1.00 1.80 C ATOM 0 H VAL A 44 67.800 -8.246 0.664 1.00 0.72 H new ATOM 0 HA VAL A 44 68.350 -8.338 -2.265 1.00 0.93 H new ATOM 0 HB VAL A 44 67.242 -6.297 -0.253 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.395 -5.108 -2.258 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.170 -5.223 -2.287 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.192 -6.305 -3.306 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.041 -6.927 -1.213 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.841 -8.124 -2.260 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.851 -8.339 -0.493 1.00 1.80 H new ATOM 658 N MET A 45 70.281 -6.803 -0.176 1.00 0.86 N ATOM 659 CA MET A 45 71.569 -6.053 -0.107 1.00 1.06 C ATOM 660 C MET A 45 72.743 -6.967 -0.472 1.00 1.08 C ATOM 661 O MET A 45 73.594 -6.613 -1.263 1.00 1.14 O ATOM 662 CB MET A 45 71.682 -5.591 1.346 1.00 1.34 C ATOM 663 CG MET A 45 72.036 -4.104 1.382 1.00 1.88 C ATOM 664 SD MET A 45 73.465 -3.849 2.462 1.00 2.45 S ATOM 665 CE MET A 45 72.594 -2.982 3.790 1.00 3.35 C ATOM 0 H MET A 45 69.922 -7.134 0.720 1.00 0.86 H new ATOM 0 HA MET A 45 71.593 -5.217 -0.806 1.00 1.06 H new ATOM 0 HB2 MET A 45 70.741 -5.764 1.868 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.446 -6.170 1.865 1.00 1.34 H new ATOM 0 HG2 MET A 45 72.259 -3.748 0.376 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.186 -3.526 1.744 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.299 -2.724 4.580 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.142 -2.072 3.395 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.815 -3.627 4.196 1.00 3.35 H new ATOM 675 N ARG A 46 72.797 -8.138 0.103 1.00 1.20 N ATOM 676 CA ARG A 46 73.921 -9.071 -0.206 1.00 1.46 C ATOM 677 C ARG A 46 73.972 -9.372 -1.706 1.00 1.52 C ATOM 678 O ARG A 46 74.999 -9.746 -2.237 1.00 1.73 O ATOM 679 CB ARG A 46 73.610 -10.341 0.586 1.00 1.74 C ATOM 680 CG ARG A 46 74.689 -11.392 0.312 1.00 1.93 C ATOM 681 CD ARG A 46 74.251 -12.738 0.893 1.00 2.48 C ATOM 682 NE ARG A 46 75.332 -13.691 0.517 1.00 2.64 N ATOM 683 CZ ARG A 46 75.555 -14.748 1.249 1.00 3.08 C ATOM 684 NH1 ARG A 46 75.813 -14.618 2.521 1.00 3.41 N ATOM 685 NH2 ARG A 46 75.520 -15.935 0.707 1.00 3.64 N ATOM 0 H ARG A 46 72.113 -8.490 0.773 1.00 1.20 H new ATOM 0 HA ARG A 46 74.890 -8.649 0.061 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.569 -10.116 1.652 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.631 -10.728 0.303 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.857 -11.485 -0.761 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.635 -11.082 0.757 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.134 -12.681 1.975 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.290 -13.050 0.484 1.00 2.48 H new ATOM 0 HE ARG A 46 75.898 -13.517 -0.313 1.00 2.64 H new ATOM 0 HH11 ARG A 46 75.840 -13.690 2.944 1.00 3.41 H new ATOM 0 HH12 ARG A 46 75.987 -15.444 3.093 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.319 -16.036 -0.288 1.00 3.64 H new ATOM 0 HH22 ARG A 46 75.694 -16.762 1.278 1.00 3.64 H new ATOM 699 N MET A 47 72.875 -9.216 -2.395 1.00 1.46 N ATOM 700 CA MET A 47 72.872 -9.499 -3.859 1.00 1.73 C ATOM 701 C MET A 47 73.477 -8.320 -4.630 1.00 1.75 C ATOM 702 O MET A 47 73.927 -8.464 -5.749 1.00 2.01 O ATOM 703 CB MET A 47 71.397 -9.687 -4.226 1.00 1.70 C ATOM 704 CG MET A 47 70.707 -8.323 -4.297 1.00 1.96 C ATOM 705 SD MET A 47 70.503 -7.840 -6.029 1.00 1.94 S ATOM 706 CE MET A 47 69.208 -9.033 -6.447 1.00 1.52 C ATOM 0 H MET A 47 71.983 -8.906 -2.010 1.00 1.46 H new ATOM 0 HA MET A 47 73.467 -10.377 -4.110 1.00 1.73 H new ATOM 0 HB2 MET A 47 71.313 -10.199 -5.185 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.905 -10.316 -3.485 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.736 -8.369 -3.804 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.298 -7.576 -3.767 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.474 -9.550 -7.369 1.00 1.52 H new ATOM 0 HE2 MET A 47 69.107 -9.759 -5.640 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.262 -8.510 -6.584 1.00 1.52 H new ATOM 716 N LEU A 48 73.490 -7.156 -4.038 1.00 1.60 N ATOM 717 CA LEU A 48 74.066 -5.972 -4.738 1.00 1.69 C ATOM 718 C LEU A 48 75.592 -5.973 -4.609 1.00 1.68 C ATOM 719 O LEU A 48 76.279 -5.208 -5.256 1.00 1.99 O ATOM 720 CB LEU A 48 73.470 -4.757 -4.024 1.00 1.73 C ATOM 721 CG LEU A 48 71.942 -4.813 -4.096 1.00 1.75 C ATOM 722 CD1 LEU A 48 71.351 -3.656 -3.288 1.00 1.86 C ATOM 723 CD2 LEU A 48 71.493 -4.693 -5.555 1.00 2.15 C ATOM 0 H LEU A 48 73.128 -6.974 -3.102 1.00 1.60 H new ATOM 0 HA LEU A 48 73.836 -5.971 -5.803 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.794 -4.740 -2.983 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.832 -3.838 -4.486 1.00 1.73 H new ATOM 0 HG LEU A 48 71.595 -5.761 -3.685 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.263 -3.695 -3.339 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.669 -3.738 -2.249 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.700 -2.709 -3.700 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.405 -4.733 -5.605 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.841 -3.745 -5.966 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.913 -5.515 -6.134 1.00 2.15 H new ATOM 735 N GLY A 49 76.126 -6.825 -3.778 1.00 1.63 N ATOM 736 CA GLY A 49 77.606 -6.872 -3.608 1.00 1.87 C ATOM 737 C GLY A 49 77.968 -6.480 -2.175 1.00 1.54 C ATOM 738 O GLY A 49 78.950 -5.807 -1.934 1.00 1.53 O ATOM 0 H GLY A 49 75.602 -7.490 -3.210 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.976 -7.874 -3.827 1.00 1.87 H new ATOM 0 HA3 GLY A 49 78.085 -6.194 -4.314 1.00 1.87 H new ATOM 742 N GLN A 50 77.181 -6.897 -1.221 1.00 1.37 N ATOM 743 CA GLN A 50 77.479 -6.548 0.197 1.00 1.17 C ATOM 744 C GLN A 50 77.317 -7.781 1.090 1.00 1.24 C ATOM 745 O GLN A 50 77.008 -8.860 0.625 1.00 1.75 O ATOM 746 CB GLN A 50 76.451 -5.479 0.567 1.00 1.29 C ATOM 747 CG GLN A 50 76.783 -4.177 -0.164 1.00 1.28 C ATOM 748 CD GLN A 50 77.067 -3.074 0.858 1.00 1.41 C ATOM 749 OE1 GLN A 50 78.125 -3.040 1.454 1.00 1.89 O ATOM 750 NE2 GLN A 50 76.160 -2.165 1.088 1.00 1.85 N ATOM 0 H GLN A 50 76.345 -7.464 -1.362 1.00 1.37 H new ATOM 0 HA GLN A 50 78.501 -6.193 0.329 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.449 -5.814 0.298 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.454 -5.314 1.644 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.650 -4.321 -0.809 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.952 -3.886 -0.807 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.271 -2.193 0.588 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.339 -1.426 1.768 1.00 1.85 H new ATOM 759 N ASN A 51 77.524 -7.629 2.369 1.00 1.18 N ATOM 760 CA ASN A 51 77.381 -8.792 3.290 1.00 1.29 C ATOM 761 C ASN A 51 77.443 -8.323 4.746 1.00 1.07 C ATOM 762 O ASN A 51 78.239 -8.811 5.523 1.00 1.45 O ATOM 763 CB ASN A 51 78.569 -9.700 2.969 1.00 1.96 C ATOM 764 CG ASN A 51 78.057 -11.084 2.564 1.00 2.61 C ATOM 765 OD1 ASN A 51 76.867 -11.330 2.569 1.00 3.07 O ATOM 766 ND2 ASN A 51 78.912 -12.005 2.212 1.00 3.29 N ATOM 0 H ASN A 51 77.786 -6.750 2.816 1.00 1.18 H new ATOM 0 HA ASN A 51 76.429 -9.306 3.162 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.162 -9.269 2.162 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.223 -9.782 3.837 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.581 -12.931 1.941 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.911 -11.799 2.208 1.00 3.29 H new ATOM 773 N PRO A 52 76.596 -7.383 5.064 1.00 1.47 N ATOM 774 CA PRO A 52 76.549 -6.834 6.440 1.00 2.11 C ATOM 775 C PRO A 52 75.942 -7.855 7.404 1.00 1.79 C ATOM 776 O PRO A 52 75.892 -9.036 7.123 1.00 2.07 O ATOM 777 CB PRO A 52 75.649 -5.608 6.306 1.00 2.97 C ATOM 778 CG PRO A 52 74.797 -5.885 5.110 1.00 2.97 C ATOM 779 CD PRO A 52 75.610 -6.748 4.182 1.00 2.03 C ATOM 0 HA PRO A 52 77.534 -6.592 6.838 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.041 -5.465 7.199 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.236 -4.700 6.171 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.877 -6.392 5.401 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.508 -4.956 4.619 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.989 -7.489 3.678 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.092 -6.155 3.405 1.00 2.03 H new ATOM 787 N THR A 53 75.479 -7.409 8.539 1.00 1.42 N ATOM 788 CA THR A 53 74.875 -8.353 9.521 1.00 1.16 C ATOM 789 C THR A 53 73.433 -7.942 9.831 1.00 0.98 C ATOM 790 O THR A 53 72.995 -6.875 9.447 1.00 0.92 O ATOM 791 CB THR A 53 75.748 -8.236 10.771 1.00 1.19 C ATOM 792 OG1 THR A 53 76.262 -6.915 10.864 1.00 1.40 O ATOM 793 CG2 THR A 53 76.906 -9.231 10.683 1.00 1.36 C ATOM 0 H THR A 53 75.493 -6.431 8.829 1.00 1.42 H new ATOM 0 HA THR A 53 74.839 -9.375 9.144 1.00 1.16 H new ATOM 0 HB THR A 53 75.150 -8.457 11.655 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.821 -6.837 11.665 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.527 -9.146 11.575 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.510 -10.244 10.611 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.507 -9.013 9.800 1.00 1.36 H new ATOM 801 N PRO A 54 72.741 -8.810 10.516 1.00 0.99 N ATOM 802 CA PRO A 54 71.330 -8.541 10.885 1.00 1.04 C ATOM 803 C PRO A 54 71.254 -7.484 11.991 1.00 0.93 C ATOM 804 O PRO A 54 70.231 -6.863 12.199 1.00 0.94 O ATOM 805 CB PRO A 54 70.827 -9.892 11.386 1.00 1.19 C ATOM 806 CG PRO A 54 72.053 -10.619 11.840 1.00 1.18 C ATOM 807 CD PRO A 54 73.204 -10.112 11.009 1.00 1.10 C ATOM 0 HA PRO A 54 70.738 -8.152 10.056 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.116 -9.770 12.203 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.314 -10.440 10.596 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.236 -10.441 12.900 1.00 1.18 H new ATOM 0 HG3 PRO A 54 71.932 -11.695 11.714 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.112 -10.013 11.604 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.433 -10.791 10.188 1.00 1.10 H new ATOM 815 N GLU A 55 72.329 -7.274 12.702 1.00 0.98 N ATOM 816 CA GLU A 55 72.313 -6.256 13.791 1.00 1.08 C ATOM 817 C GLU A 55 72.531 -4.856 13.209 1.00 0.97 C ATOM 818 O GLU A 55 71.742 -3.957 13.421 1.00 1.01 O ATOM 819 CB GLU A 55 73.471 -6.638 14.713 1.00 1.28 C ATOM 820 CG GLU A 55 73.597 -5.601 15.831 1.00 2.15 C ATOM 821 CD GLU A 55 72.707 -6.007 17.008 1.00 2.57 C ATOM 822 OE1 GLU A 55 71.854 -6.858 16.814 1.00 3.14 O ATOM 823 OE2 GLU A 55 72.893 -5.460 18.082 1.00 2.81 O ATOM 0 H GLU A 55 73.216 -7.762 12.576 1.00 0.98 H new ATOM 0 HA GLU A 55 71.361 -6.236 14.321 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.300 -7.627 15.138 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.400 -6.691 14.145 1.00 1.28 H new ATOM 0 HG2 GLU A 55 74.635 -5.525 16.156 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.305 -4.617 15.463 1.00 2.15 H new ATOM 830 N GLU A 56 73.594 -4.665 12.477 1.00 0.92 N ATOM 831 CA GLU A 56 73.857 -3.323 11.882 1.00 0.94 C ATOM 832 C GLU A 56 72.732 -2.948 10.915 1.00 0.84 C ATOM 833 O GLU A 56 72.507 -1.789 10.628 1.00 0.94 O ATOM 834 CB GLU A 56 75.183 -3.473 11.135 1.00 1.06 C ATOM 835 CG GLU A 56 76.317 -2.899 11.986 1.00 1.60 C ATOM 836 CD GLU A 56 77.077 -1.843 11.182 1.00 1.83 C ATOM 837 OE1 GLU A 56 76.532 -0.770 10.985 1.00 2.50 O ATOM 838 OE2 GLU A 56 78.193 -2.126 10.776 1.00 2.08 O ATOM 0 H GLU A 56 74.291 -5.379 12.265 1.00 0.92 H new ATOM 0 HA GLU A 56 73.903 -2.537 12.635 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.373 -4.524 10.918 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.134 -2.954 10.178 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.914 -2.457 12.897 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.995 -3.696 12.292 1.00 1.60 H new ATOM 845 N LEU A 57 72.021 -3.921 10.413 1.00 0.73 N ATOM 846 CA LEU A 57 70.909 -3.621 9.466 1.00 0.78 C ATOM 847 C LEU A 57 69.867 -2.726 10.143 1.00 0.80 C ATOM 848 O LEU A 57 69.562 -1.648 9.674 1.00 0.89 O ATOM 849 CB LEU A 57 70.305 -4.983 9.122 1.00 0.85 C ATOM 850 CG LEU A 57 70.203 -5.129 7.603 1.00 0.84 C ATOM 851 CD1 LEU A 57 70.192 -6.613 7.232 1.00 1.30 C ATOM 852 CD2 LEU A 57 68.908 -4.474 7.116 1.00 1.10 C ATOM 0 H LEU A 57 72.162 -4.910 10.618 1.00 0.73 H new ATOM 0 HA LEU A 57 71.253 -3.092 8.577 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.923 -5.781 9.534 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.318 -5.079 9.574 1.00 0.85 H new ATOM 0 HG LEU A 57 71.058 -4.643 7.133 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.119 -6.717 6.149 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.112 -7.082 7.581 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.337 -7.099 7.701 1.00 1.30 H new ATOM 0 HD21 LEU A 57 68.833 -4.577 6.033 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.054 -4.962 7.587 1.00 1.10 H new ATOM 0 HD23 LEU A 57 68.913 -3.417 7.381 1.00 1.10 H new ATOM 864 N GLN A 58 69.321 -3.165 11.245 1.00 0.81 N ATOM 865 CA GLN A 58 68.301 -2.338 11.952 1.00 0.95 C ATOM 866 C GLN A 58 68.870 -0.949 12.257 1.00 0.99 C ATOM 867 O GLN A 58 68.256 0.060 11.974 1.00 1.13 O ATOM 868 CB GLN A 58 68.008 -3.095 13.247 1.00 1.09 C ATOM 869 CG GLN A 58 66.738 -2.537 13.892 1.00 1.25 C ATOM 870 CD GLN A 58 65.534 -2.839 12.997 1.00 1.41 C ATOM 871 OE1 GLN A 58 65.182 -1.975 12.084 1.00 1.97 O flip ATOM 872 NE2 GLN A 58 64.907 -3.871 13.129 1.00 1.74 N flip ATOM 0 H GLN A 58 69.537 -4.059 11.686 1.00 0.81 H new ATOM 0 HA GLN A 58 67.401 -2.189 11.356 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.885 -4.158 13.039 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.849 -3.000 13.934 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.593 -2.981 14.877 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.835 -1.461 14.038 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.181 -4.547 13.842 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.106 -4.062 12.527 1.00 1.74 H new ATOM 881 N GLU A 59 70.041 -0.891 12.830 1.00 0.97 N ATOM 882 CA GLU A 59 70.650 0.431 13.151 1.00 1.14 C ATOM 883 C GLU A 59 70.875 1.231 11.865 1.00 1.11 C ATOM 884 O GLU A 59 70.680 2.430 11.826 1.00 1.18 O ATOM 885 CB GLU A 59 71.985 0.100 13.818 1.00 1.23 C ATOM 886 CG GLU A 59 71.755 -0.200 15.300 1.00 1.60 C ATOM 887 CD GLU A 59 72.873 -1.107 15.816 1.00 2.19 C ATOM 888 OE1 GLU A 59 73.186 -2.073 15.140 1.00 2.77 O ATOM 889 OE2 GLU A 59 73.398 -0.820 16.879 1.00 2.75 O ATOM 0 H GLU A 59 70.602 -1.702 13.090 1.00 0.97 H new ATOM 0 HA GLU A 59 70.013 1.036 13.796 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.445 -0.759 13.329 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.676 0.936 13.708 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.733 0.728 15.871 1.00 1.60 H new ATOM 0 HG3 GLU A 59 70.788 -0.683 15.438 1.00 1.60 H new ATOM 896 N MET A 60 71.282 0.577 10.813 1.00 1.11 N ATOM 897 CA MET A 60 71.517 1.299 9.530 1.00 1.18 C ATOM 898 C MET A 60 70.295 2.151 9.176 1.00 1.13 C ATOM 899 O MET A 60 70.373 3.360 9.091 1.00 1.25 O ATOM 900 CB MET A 60 71.724 0.199 8.488 1.00 1.22 C ATOM 901 CG MET A 60 73.221 -0.005 8.248 1.00 1.62 C ATOM 902 SD MET A 60 73.615 0.389 6.526 1.00 1.82 S ATOM 903 CE MET A 60 73.765 2.180 6.731 1.00 2.02 C ATOM 0 H MET A 60 71.462 -0.427 10.786 1.00 1.11 H new ATOM 0 HA MET A 60 72.372 1.973 9.584 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.270 -0.731 8.831 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.229 0.470 7.555 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.798 0.631 8.919 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.499 -1.036 8.469 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.010 2.637 5.772 1.00 2.02 H new ATOM 0 HE2 MET A 60 72.821 2.585 7.095 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.555 2.399 7.449 1.00 2.02 H new ATOM 913 N ILE A 61 69.167 1.528 8.971 1.00 1.04 N ATOM 914 CA ILE A 61 67.941 2.303 8.625 1.00 1.11 C ATOM 915 C ILE A 61 67.567 3.239 9.779 1.00 1.23 C ATOM 916 O ILE A 61 67.295 4.407 9.581 1.00 1.40 O ATOM 917 CB ILE A 61 66.852 1.250 8.410 1.00 1.13 C ATOM 918 CG1 ILE A 61 67.026 0.617 7.028 1.00 1.17 C ATOM 919 CG2 ILE A 61 65.472 1.908 8.494 1.00 1.36 C ATOM 920 CD1 ILE A 61 67.386 -0.860 7.188 1.00 1.14 C ATOM 0 H ILE A 61 69.041 0.517 9.028 1.00 1.04 H new ATOM 0 HA ILE A 61 68.081 2.927 7.742 1.00 1.11 H new ATOM 0 HB ILE A 61 66.935 0.483 9.181 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.107 0.718 6.451 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.809 1.136 6.474 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.700 1.154 8.340 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.345 2.363 9.476 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.388 2.676 7.725 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.510 -1.313 6.204 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.316 -0.949 7.749 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.588 -1.373 7.725 1.00 1.14 H new ATOM 932 N ASP A 62 67.550 2.733 10.982 1.00 1.23 N ATOM 933 CA ASP A 62 67.192 3.589 12.149 1.00 1.43 C ATOM 934 C ASP A 62 67.923 4.932 12.070 1.00 1.48 C ATOM 935 O ASP A 62 67.458 5.934 12.577 1.00 1.67 O ATOM 936 CB ASP A 62 67.653 2.799 13.375 1.00 1.51 C ATOM 937 CG ASP A 62 67.337 3.592 14.643 1.00 1.54 C ATOM 938 OD1 ASP A 62 67.886 4.671 14.796 1.00 1.79 O ATOM 939 OD2 ASP A 62 66.551 3.108 15.441 1.00 2.13 O ATOM 0 H ASP A 62 67.769 1.763 11.207 1.00 1.23 H new ATOM 0 HA ASP A 62 66.126 3.812 12.183 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.154 1.831 13.405 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.724 2.604 13.313 1.00 1.51 H new ATOM 944 N GLU A 63 69.065 4.962 11.438 1.00 1.41 N ATOM 945 CA GLU A 63 69.821 6.242 11.330 1.00 1.52 C ATOM 946 C GLU A 63 69.255 7.097 10.194 1.00 1.47 C ATOM 947 O GLU A 63 69.021 8.280 10.350 1.00 1.80 O ATOM 948 CB GLU A 63 71.260 5.827 11.022 1.00 1.55 C ATOM 949 CG GLU A 63 71.961 5.414 12.317 1.00 2.11 C ATOM 950 CD GLU A 63 73.394 5.947 12.313 1.00 2.26 C ATOM 951 OE1 GLU A 63 74.183 5.466 11.517 1.00 2.93 O ATOM 952 OE2 GLU A 63 73.679 6.829 13.107 1.00 2.32 O ATOM 0 H GLU A 63 69.506 4.157 10.993 1.00 1.41 H new ATOM 0 HA GLU A 63 69.754 6.839 12.240 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.267 5.000 10.313 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.795 6.653 10.554 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.418 5.805 13.178 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.966 4.328 12.410 1.00 2.11 H new ATOM 959 N VAL A 64 69.033 6.509 9.051 1.00 1.33 N ATOM 960 CA VAL A 64 68.482 7.288 7.905 1.00 1.29 C ATOM 961 C VAL A 64 66.961 7.411 8.031 1.00 1.21 C ATOM 962 O VAL A 64 66.386 8.442 7.746 1.00 1.50 O ATOM 963 CB VAL A 64 68.856 6.477 6.663 1.00 1.40 C ATOM 964 CG1 VAL A 64 70.318 6.038 6.759 1.00 1.69 C ATOM 965 CG2 VAL A 64 67.960 5.239 6.573 1.00 1.31 C ATOM 0 H VAL A 64 69.209 5.523 8.860 1.00 1.33 H new ATOM 0 HA VAL A 64 68.878 8.303 7.864 1.00 1.29 H new ATOM 0 HB VAL A 64 68.719 7.093 5.774 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.583 5.460 5.874 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.959 6.918 6.824 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.456 5.423 7.648 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.226 4.661 5.688 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.098 4.625 7.463 1.00 1.31 H new ATOM 0 HG23 VAL A 64 66.917 5.549 6.504 1.00 1.31 H new ATOM 975 N ASP A 65 66.306 6.364 8.454 1.00 1.27 N ATOM 976 CA ASP A 65 64.824 6.418 8.595 1.00 1.38 C ATOM 977 C ASP A 65 64.429 7.486 9.618 1.00 2.07 C ATOM 978 O ASP A 65 65.201 7.849 10.483 1.00 2.61 O ATOM 979 CB ASP A 65 64.424 5.026 9.087 1.00 1.38 C ATOM 980 CG ASP A 65 62.917 4.832 8.905 1.00 1.66 C ATOM 981 OD1 ASP A 65 62.246 5.807 8.607 1.00 1.47 O ATOM 982 OD2 ASP A 65 62.460 3.712 9.068 1.00 2.59 O ATOM 0 H ASP A 65 66.734 5.474 8.708 1.00 1.27 H new ATOM 0 HA ASP A 65 64.328 6.678 7.660 1.00 1.38 H new ATOM 0 HB2 ASP A 65 64.969 4.262 8.532 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.692 4.909 10.137 1.00 1.38 H new ATOM 987 N GLU A 66 63.230 7.990 9.525 1.00 2.65 N ATOM 988 CA GLU A 66 62.782 9.036 10.491 1.00 3.74 C ATOM 989 C GLU A 66 61.360 8.736 10.971 1.00 4.00 C ATOM 990 O GLU A 66 60.681 9.591 11.503 1.00 4.93 O ATOM 991 CB GLU A 66 62.819 10.345 9.703 1.00 4.58 C ATOM 992 CG GLU A 66 61.859 10.255 8.514 1.00 5.25 C ATOM 993 CD GLU A 66 61.565 11.660 7.987 1.00 6.17 C ATOM 994 OE1 GLU A 66 61.499 12.573 8.794 1.00 6.67 O ATOM 995 OE2 GLU A 66 61.412 11.801 6.784 1.00 6.61 O ATOM 0 H GLU A 66 62.540 7.724 8.823 1.00 2.65 H new ATOM 0 HA GLU A 66 63.414 9.078 11.378 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.538 11.178 10.348 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.832 10.541 9.352 1.00 4.58 H new ATOM 0 HG2 GLU A 66 62.297 9.644 7.725 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.932 9.768 8.817 1.00 5.25 H new ATOM 1002 N ASP A 67 60.906 7.527 10.787 1.00 3.32 N ATOM 1003 CA ASP A 67 59.528 7.172 11.233 1.00 3.69 C ATOM 1004 C ASP A 67 59.587 6.051 12.273 1.00 3.25 C ATOM 1005 O ASP A 67 58.645 5.820 13.005 1.00 3.49 O ATOM 1006 CB ASP A 67 58.812 6.696 9.969 1.00 3.68 C ATOM 1007 CG ASP A 67 59.650 5.616 9.282 1.00 3.08 C ATOM 1008 OD1 ASP A 67 60.063 4.692 9.963 1.00 3.83 O ATOM 1009 OD2 ASP A 67 59.865 5.732 8.086 1.00 2.33 O ATOM 0 H ASP A 67 61.429 6.769 10.347 1.00 3.32 H new ATOM 0 HA ASP A 67 59.013 8.012 11.698 1.00 3.69 H new ATOM 0 HB2 ASP A 67 57.828 6.301 10.223 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.654 7.534 9.291 1.00 3.68 H new ATOM 1014 N GLY A 68 60.687 5.353 12.344 1.00 2.98 N ATOM 1015 CA GLY A 68 60.807 4.249 13.337 1.00 3.17 C ATOM 1016 C GLY A 68 60.039 3.025 12.837 1.00 2.42 C ATOM 1017 O GLY A 68 59.296 2.404 13.570 1.00 3.05 O ATOM 0 H GLY A 68 61.508 5.500 11.757 1.00 2.98 H new ATOM 0 HA2 GLY A 68 61.856 3.996 13.489 1.00 3.17 H new ATOM 0 HA3 GLY A 68 60.413 4.569 14.302 1.00 3.17 H new ATOM 1021 N SER A 69 60.212 2.672 11.592 1.00 1.46 N ATOM 1022 CA SER A 69 59.490 1.486 11.048 1.00 1.52 C ATOM 1023 C SER A 69 60.492 0.417 10.604 1.00 1.64 C ATOM 1024 O SER A 69 60.207 -0.764 10.631 1.00 2.49 O ATOM 1025 CB SER A 69 58.703 2.016 9.850 1.00 2.44 C ATOM 1026 OG SER A 69 59.606 2.564 8.899 1.00 2.71 O ATOM 0 H SER A 69 60.821 3.152 10.929 1.00 1.46 H new ATOM 0 HA SER A 69 58.839 1.022 11.789 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.123 1.212 9.397 1.00 2.44 H new ATOM 0 HB3 SER A 69 57.993 2.777 10.175 1.00 2.44 H new ATOM 0 HG SER A 69 60.061 3.339 9.289 1.00 2.71 H new ATOM 1032 N GLY A 70 61.665 0.821 10.197 1.00 1.28 N ATOM 1033 CA GLY A 70 62.683 -0.173 9.754 1.00 1.43 C ATOM 1034 C GLY A 70 62.353 -0.643 8.337 1.00 1.29 C ATOM 1035 O GLY A 70 62.911 -1.604 7.845 1.00 1.59 O ATOM 0 H GLY A 70 61.962 1.796 10.152 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.677 0.273 9.778 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.698 -1.023 10.436 1.00 1.43 H new ATOM 1039 N THR A 71 61.451 0.029 7.675 1.00 0.89 N ATOM 1040 CA THR A 71 61.084 -0.379 6.289 1.00 0.79 C ATOM 1041 C THR A 71 61.879 0.439 5.268 1.00 0.76 C ATOM 1042 O THR A 71 62.290 1.551 5.535 1.00 0.83 O ATOM 1043 CB THR A 71 59.589 -0.077 6.170 1.00 0.84 C ATOM 1044 OG1 THR A 71 59.373 1.314 6.361 1.00 1.45 O ATOM 1045 CG2 THR A 71 58.818 -0.866 7.230 1.00 1.08 C ATOM 0 H THR A 71 60.952 0.843 8.034 1.00 0.89 H new ATOM 0 HA THR A 71 61.305 -1.429 6.096 1.00 0.79 H new ATOM 0 HB THR A 71 59.238 -0.368 5.180 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.375 1.517 7.320 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.753 -0.649 7.143 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.984 -1.933 7.082 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.167 -0.579 8.222 1.00 1.08 H new ATOM 1053 N VAL A 72 62.099 -0.101 4.101 1.00 0.73 N ATOM 1054 CA VAL A 72 62.865 0.650 3.066 1.00 0.77 C ATOM 1055 C VAL A 72 62.209 0.481 1.694 1.00 0.80 C ATOM 1056 O VAL A 72 62.515 -0.435 0.957 1.00 1.00 O ATOM 1057 CB VAL A 72 64.260 0.025 3.072 1.00 0.85 C ATOM 1058 CG1 VAL A 72 65.170 0.800 2.118 1.00 1.13 C ATOM 1059 CG2 VAL A 72 64.836 0.084 4.488 1.00 1.13 C ATOM 0 H VAL A 72 61.782 -1.029 3.819 1.00 0.73 H new ATOM 0 HA VAL A 72 62.896 1.720 3.273 1.00 0.77 H new ATOM 0 HB VAL A 72 64.196 -1.014 2.748 1.00 0.85 H new ATOM 0 HG11 VAL A 72 66.165 0.355 2.122 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.758 0.760 1.109 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.236 1.839 2.442 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.831 -0.361 4.495 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.901 1.123 4.811 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.187 -0.468 5.168 1.00 1.13 H new ATOM 1069 N ASP A 73 61.309 1.359 1.346 1.00 0.77 N ATOM 1070 CA ASP A 73 60.636 1.249 0.021 1.00 0.83 C ATOM 1071 C ASP A 73 61.488 1.921 -1.057 1.00 0.87 C ATOM 1072 O ASP A 73 62.668 2.151 -0.876 1.00 0.87 O ATOM 1073 CB ASP A 73 59.308 1.988 0.191 1.00 0.85 C ATOM 1074 CG ASP A 73 59.579 3.424 0.643 1.00 1.80 C ATOM 1075 OD1 ASP A 73 60.730 3.828 0.608 1.00 2.47 O ATOM 1076 OD2 ASP A 73 58.632 4.096 1.016 1.00 2.57 O ATOM 0 H ASP A 73 61.011 2.147 1.921 1.00 0.77 H new ATOM 0 HA ASP A 73 60.490 0.213 -0.286 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.757 1.989 -0.749 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.686 1.476 0.925 1.00 0.85 H new ATOM 1081 N PHE A 74 60.903 2.239 -2.178 1.00 0.94 N ATOM 1082 CA PHE A 74 61.685 2.899 -3.263 1.00 0.98 C ATOM 1083 C PHE A 74 62.105 4.305 -2.828 1.00 0.86 C ATOM 1084 O PHE A 74 61.722 5.293 -3.421 1.00 0.83 O ATOM 1085 CB PHE A 74 60.732 2.966 -4.457 1.00 1.12 C ATOM 1086 CG PHE A 74 61.317 3.867 -5.518 1.00 1.33 C ATOM 1087 CD1 PHE A 74 62.698 3.878 -5.742 1.00 1.97 C ATOM 1088 CD2 PHE A 74 60.478 4.691 -6.277 1.00 2.22 C ATOM 1089 CE1 PHE A 74 63.241 4.714 -6.726 1.00 2.84 C ATOM 1090 CE2 PHE A 74 61.020 5.527 -7.261 1.00 3.01 C ATOM 1091 CZ PHE A 74 62.402 5.538 -7.485 1.00 3.18 C ATOM 0 H PHE A 74 59.920 2.071 -2.391 1.00 0.94 H new ATOM 0 HA PHE A 74 62.598 2.355 -3.505 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.569 1.967 -4.862 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.760 3.344 -4.139 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.345 3.242 -5.156 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.412 4.682 -6.104 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.307 4.723 -6.899 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.372 6.163 -7.847 1.00 3.01 H new ATOM 0 HZ PHE A 74 62.821 6.183 -8.244 1.00 3.18 H new ATOM 1101 N ASP A 75 62.893 4.399 -1.793 1.00 0.83 N ATOM 1102 CA ASP A 75 63.346 5.735 -1.311 1.00 0.76 C ATOM 1103 C ASP A 75 64.492 5.560 -0.315 1.00 0.69 C ATOM 1104 O ASP A 75 65.597 6.016 -0.537 1.00 0.65 O ATOM 1105 CB ASP A 75 62.124 6.349 -0.626 1.00 0.81 C ATOM 1106 CG ASP A 75 62.072 7.848 -0.925 1.00 0.99 C ATOM 1107 OD1 ASP A 75 62.865 8.575 -0.350 1.00 1.49 O ATOM 1108 OD2 ASP A 75 61.239 8.244 -1.724 1.00 1.57 O ATOM 0 H ASP A 75 63.244 3.605 -1.258 1.00 0.83 H new ATOM 0 HA ASP A 75 63.713 6.369 -2.118 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.214 5.865 -0.980 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.175 6.183 0.450 1.00 0.81 H new ATOM 1113 N GLU A 76 64.242 4.891 0.776 1.00 0.77 N ATOM 1114 CA GLU A 76 65.323 4.675 1.778 1.00 0.78 C ATOM 1115 C GLU A 76 66.368 3.715 1.204 1.00 0.70 C ATOM 1116 O GLU A 76 67.482 3.635 1.682 1.00 0.70 O ATOM 1117 CB GLU A 76 64.624 4.054 2.988 1.00 0.95 C ATOM 1118 CG GLU A 76 63.379 4.873 3.332 1.00 1.51 C ATOM 1119 CD GLU A 76 63.034 4.684 4.810 1.00 1.45 C ATOM 1120 OE1 GLU A 76 63.426 3.671 5.365 1.00 1.72 O ATOM 1121 OE2 GLU A 76 62.382 5.556 5.361 1.00 1.94 O ATOM 0 H GLU A 76 63.338 4.485 1.017 1.00 0.77 H new ATOM 0 HA GLU A 76 65.842 5.596 2.044 1.00 0.78 H new ATOM 0 HB2 GLU A 76 64.346 3.023 2.771 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.303 4.029 3.840 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.555 5.928 3.121 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.541 4.559 2.709 1.00 1.51 H new ATOM 1128 N PHE A 77 66.015 2.991 0.175 1.00 0.72 N ATOM 1129 CA PHE A 77 66.987 2.043 -0.438 1.00 0.73 C ATOM 1130 C PHE A 77 68.087 2.823 -1.159 1.00 0.67 C ATOM 1131 O PHE A 77 69.261 2.591 -0.959 1.00 0.69 O ATOM 1132 CB PHE A 77 66.170 1.221 -1.438 1.00 0.84 C ATOM 1133 CG PHE A 77 66.831 -0.123 -1.652 1.00 0.97 C ATOM 1134 CD1 PHE A 77 68.200 -0.282 -1.398 1.00 1.32 C ATOM 1135 CD2 PHE A 77 66.074 -1.209 -2.104 1.00 1.83 C ATOM 1136 CE1 PHE A 77 68.809 -1.527 -1.596 1.00 1.48 C ATOM 1137 CE2 PHE A 77 66.683 -2.455 -2.301 1.00 2.03 C ATOM 1138 CZ PHE A 77 68.051 -2.613 -2.047 1.00 1.46 C ATOM 0 H PHE A 77 65.096 3.016 -0.266 1.00 0.72 H new ATOM 0 HA PHE A 77 67.473 1.409 0.304 1.00 0.73 H new ATOM 0 HB2 PHE A 77 65.155 1.083 -1.067 1.00 0.84 H new ATOM 0 HB3 PHE A 77 66.093 1.754 -2.385 1.00 0.84 H new ATOM 0 HD1 PHE A 77 68.785 0.556 -1.049 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.019 -1.087 -2.301 1.00 1.83 H new ATOM 0 HE1 PHE A 77 69.864 -1.649 -1.401 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.098 -3.293 -2.649 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.521 -3.573 -2.199 1.00 1.46 H new ATOM 1148 N LEU A 78 67.715 3.752 -1.995 1.00 0.66 N ATOM 1149 CA LEU A 78 68.742 4.549 -2.723 1.00 0.68 C ATOM 1150 C LEU A 78 69.467 5.479 -1.748 1.00 0.62 C ATOM 1151 O LEU A 78 70.546 5.964 -2.023 1.00 0.64 O ATOM 1152 CB LEU A 78 67.960 5.358 -3.763 1.00 0.77 C ATOM 1153 CG LEU A 78 66.904 4.474 -4.437 1.00 0.96 C ATOM 1154 CD1 LEU A 78 66.461 5.123 -5.750 1.00 1.55 C ATOM 1155 CD2 LEU A 78 67.493 3.091 -4.733 1.00 1.41 C ATOM 0 H LEU A 78 66.747 3.994 -2.205 1.00 0.66 H new ATOM 0 HA LEU A 78 69.501 3.921 -3.190 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.479 6.211 -3.284 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.643 5.757 -4.513 1.00 0.77 H new ATOM 0 HG LEU A 78 66.049 4.367 -3.770 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.710 4.496 -6.231 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.036 6.106 -5.545 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.321 5.231 -6.411 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.737 2.468 -5.212 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.351 3.195 -5.397 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.811 2.624 -3.801 1.00 1.41 H new ATOM 1167 N VAL A 79 68.882 5.726 -0.609 1.00 0.59 N ATOM 1168 CA VAL A 79 69.535 6.620 0.389 1.00 0.61 C ATOM 1169 C VAL A 79 70.457 5.805 1.299 1.00 0.63 C ATOM 1170 O VAL A 79 71.600 6.155 1.515 1.00 0.68 O ATOM 1171 CB VAL A 79 68.383 7.223 1.192 1.00 0.63 C ATOM 1172 CG1 VAL A 79 68.924 7.831 2.488 1.00 0.73 C ATOM 1173 CG2 VAL A 79 67.703 8.315 0.364 1.00 0.70 C ATOM 0 H VAL A 79 67.979 5.347 -0.325 1.00 0.59 H new ATOM 0 HA VAL A 79 70.149 7.389 -0.080 1.00 0.61 H new ATOM 0 HB VAL A 79 67.661 6.442 1.431 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.101 8.261 3.060 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.410 7.055 3.079 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.647 8.611 2.250 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.881 8.746 0.935 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.427 9.094 0.125 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.316 7.884 -0.559 1.00 0.70 H new ATOM 1183 N MET A 80 69.969 4.719 1.833 1.00 0.65 N ATOM 1184 CA MET A 80 70.821 3.882 2.728 1.00 0.72 C ATOM 1185 C MET A 80 72.010 3.316 1.948 1.00 0.71 C ATOM 1186 O MET A 80 73.068 3.080 2.497 1.00 0.76 O ATOM 1187 CB MET A 80 69.907 2.754 3.210 1.00 0.80 C ATOM 1188 CG MET A 80 69.455 1.914 2.014 1.00 1.12 C ATOM 1189 SD MET A 80 70.494 0.438 1.887 1.00 2.17 S ATOM 1190 CE MET A 80 69.474 -0.645 2.917 1.00 2.77 C ATOM 0 H MET A 80 69.020 4.375 1.689 1.00 0.65 H new ATOM 0 HA MET A 80 71.231 4.454 3.560 1.00 0.72 H new ATOM 0 HB2 MET A 80 70.434 2.127 3.929 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.040 3.169 3.724 1.00 0.80 H new ATOM 0 HG2 MET A 80 68.410 1.627 2.132 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.524 2.500 1.098 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.742 -1.685 2.728 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.643 -0.412 3.968 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.422 -0.492 2.676 1.00 2.77 H new ATOM 1200 N MET A 81 71.849 3.100 0.670 1.00 0.69 N ATOM 1201 CA MET A 81 72.976 2.554 -0.138 1.00 0.74 C ATOM 1202 C MET A 81 73.966 3.680 -0.467 1.00 0.75 C ATOM 1203 O MET A 81 75.124 3.442 -0.746 1.00 0.82 O ATOM 1204 CB MET A 81 72.308 1.968 -1.399 1.00 0.73 C ATOM 1205 CG MET A 81 72.693 2.761 -2.657 1.00 0.89 C ATOM 1206 SD MET A 81 74.355 2.280 -3.189 1.00 1.41 S ATOM 1207 CE MET A 81 74.052 0.499 -3.306 1.00 1.21 C ATOM 0 H MET A 81 70.988 3.278 0.152 1.00 0.69 H new ATOM 0 HA MET A 81 73.554 1.790 0.382 1.00 0.74 H new ATOM 0 HB2 MET A 81 72.605 0.926 -1.519 1.00 0.73 H new ATOM 0 HB3 MET A 81 71.225 1.979 -1.277 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.975 2.570 -3.454 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.661 3.831 -2.449 1.00 0.89 H new ATOM 0 HE1 MET A 81 74.603 -0.016 -2.519 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.986 0.303 -3.191 1.00 1.21 H new ATOM 0 HE3 MET A 81 74.385 0.136 -4.279 1.00 1.21 H new ATOM 1217 N VAL A 82 73.514 4.903 -0.428 1.00 0.72 N ATOM 1218 CA VAL A 82 74.422 6.045 -0.730 1.00 0.78 C ATOM 1219 C VAL A 82 75.425 6.226 0.413 1.00 0.81 C ATOM 1220 O VAL A 82 76.573 6.561 0.199 1.00 0.93 O ATOM 1221 CB VAL A 82 73.502 7.261 -0.841 1.00 0.80 C ATOM 1222 CG1 VAL A 82 74.325 8.545 -0.709 1.00 1.08 C ATOM 1223 CG2 VAL A 82 72.803 7.244 -2.202 1.00 1.36 C ATOM 0 H VAL A 82 72.554 5.161 -0.200 1.00 0.72 H new ATOM 0 HA VAL A 82 75.000 5.892 -1.641 1.00 0.78 H new ATOM 0 HB VAL A 82 72.758 7.226 -0.045 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.666 9.409 -0.789 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.826 8.558 0.259 1.00 1.08 H new ATOM 0 HG13 VAL A 82 75.070 8.583 -1.503 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.146 8.110 -2.284 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.550 7.278 -2.995 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.214 6.332 -2.297 1.00 1.36 H new ATOM 1233 N ARG A 83 74.999 6.001 1.626 1.00 0.79 N ATOM 1234 CA ARG A 83 75.925 6.153 2.783 1.00 0.85 C ATOM 1235 C ARG A 83 76.969 5.034 2.768 1.00 0.90 C ATOM 1236 O ARG A 83 78.102 5.221 3.167 1.00 1.00 O ATOM 1237 CB ARG A 83 75.034 6.038 4.021 1.00 0.87 C ATOM 1238 CG ARG A 83 74.996 7.380 4.753 1.00 1.07 C ATOM 1239 CD ARG A 83 73.763 7.434 5.657 1.00 0.92 C ATOM 1240 NE ARG A 83 74.286 7.815 6.998 1.00 1.62 N ATOM 1241 CZ ARG A 83 74.538 6.894 7.888 1.00 1.83 C ATOM 1242 NH1 ARG A 83 73.607 6.047 8.233 1.00 2.14 N ATOM 1243 NH2 ARG A 83 75.721 6.819 8.432 1.00 2.49 N ATOM 0 H ARG A 83 74.049 5.718 1.865 1.00 0.79 H new ATOM 0 HA ARG A 83 76.468 7.098 2.759 1.00 0.85 H new ATOM 0 HB2 ARG A 83 74.026 5.743 3.730 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.415 5.261 4.684 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.901 7.508 5.347 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.968 8.198 4.033 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.039 8.163 5.294 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.255 6.470 5.690 1.00 0.92 H new ATOM 0 HE ARG A 83 74.448 8.797 7.221 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.682 6.105 7.807 1.00 2.14 H new ATOM 0 HH12 ARG A 83 73.804 5.327 8.928 1.00 2.14 H new ATOM 0 HH21 ARG A 83 76.449 7.480 8.162 1.00 2.49 H new ATOM 0 HH22 ARG A 83 75.918 6.099 9.127 1.00 2.49 H new ATOM 1257 N SER A 84 76.595 3.871 2.308 1.00 0.92 N ATOM 1258 CA SER A 84 77.564 2.739 2.264 1.00 1.01 C ATOM 1259 C SER A 84 78.701 3.053 1.289 1.00 1.06 C ATOM 1260 O SER A 84 79.705 2.370 1.250 1.00 1.38 O ATOM 1261 CB SER A 84 76.750 1.543 1.772 1.00 1.04 C ATOM 1262 OG SER A 84 76.708 1.557 0.351 1.00 1.52 O ATOM 0 H SER A 84 75.660 3.656 1.961 1.00 0.92 H new ATOM 0 HA SER A 84 78.023 2.549 3.234 1.00 1.01 H new ATOM 0 HB2 SER A 84 77.197 0.614 2.125 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.739 1.585 2.178 1.00 1.04 H new ATOM 0 HG SER A 84 76.227 2.355 0.046 1.00 1.52 H new ATOM 1268 N MET A 85 78.552 4.083 0.501 1.00 0.00 N ATOM 1269 CA MET A 85 79.626 4.439 -0.470 1.00 0.00 C ATOM 1270 C MET A 85 80.810 5.074 0.263 1.00 0.00 C ATOM 1271 O MET A 85 81.943 4.977 -0.164 1.00 0.00 O ATOM 1272 CB MET A 85 78.982 5.448 -1.422 1.00 0.00 C ATOM 1273 CG MET A 85 77.967 4.733 -2.316 1.00 0.00 C ATOM 1274 SD MET A 85 77.758 5.662 -3.856 1.00 0.00 S ATOM 1275 CE MET A 85 76.081 5.098 -4.234 1.00 0.00 C ATOM 0 H MET A 85 77.734 4.693 0.487 1.00 0.00 H new ATOM 0 HA MET A 85 80.010 3.567 -1.000 1.00 0.00 H new ATOM 0 HB2 MET A 85 78.489 6.237 -0.853 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.747 5.926 -2.033 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.307 3.721 -2.533 1.00 0.00 H new ATOM 0 HG3 MET A 85 77.011 4.644 -1.800 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.491 5.935 -4.607 1.00 0.00 H new ATOM 0 HE2 MET A 85 76.122 4.317 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.618 4.702 -3.330 1.00 0.00 H new ATOM 1285 N LYS A 86 80.555 5.725 1.366 1.00 0.00 N ATOM 1286 CA LYS A 86 81.665 6.366 2.127 1.00 0.00 C ATOM 1287 C LYS A 86 81.880 5.644 3.460 1.00 0.00 C ATOM 1288 O LYS A 86 82.780 5.962 4.211 1.00 0.00 O ATOM 1289 CB LYS A 86 81.203 7.804 2.363 1.00 0.00 C ATOM 1290 CG LYS A 86 79.781 7.798 2.929 1.00 0.00 C ATOM 1291 CD LYS A 86 79.645 8.899 3.982 1.00 0.00 C ATOM 1292 CE LYS A 86 78.259 9.541 3.875 1.00 0.00 C ATOM 1293 NZ LYS A 86 77.547 9.126 5.115 1.00 0.00 N ATOM 0 H LYS A 86 79.627 5.840 1.772 1.00 0.00 H new ATOM 0 HA LYS A 86 82.612 6.325 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 86 81.879 8.305 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.231 8.364 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 86 79.059 7.955 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 86 79.559 6.827 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 86 79.788 8.483 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 86 80.419 9.653 3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 86 78.331 10.626 3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 86 77.733 9.198 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 76.571 9.485 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 77.533 8.088 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 78.039 9.515 5.945 1.00 0.00 H new ATOM 1307 N ASP A 87 81.060 4.674 3.759 1.00 0.00 N ATOM 1308 CA ASP A 87 81.219 3.933 5.044 1.00 0.00 C ATOM 1309 C ASP A 87 82.357 2.915 4.931 1.00 0.00 C ATOM 1310 O ASP A 87 82.884 2.446 5.921 1.00 0.00 O ATOM 1311 CB ASP A 87 79.883 3.222 5.259 1.00 0.00 C ATOM 1312 CG ASP A 87 79.347 3.552 6.654 1.00 0.00 C ATOM 1313 OD1 ASP A 87 79.750 4.568 7.196 1.00 0.00 O ATOM 1314 OD2 ASP A 87 78.543 2.783 7.156 1.00 0.00 O ATOM 0 H ASP A 87 80.287 4.362 3.170 1.00 0.00 H new ATOM 0 HA ASP A 87 81.467 4.595 5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 87 79.166 3.534 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 87 80.011 2.145 5.153 1.00 0.00 H new ATOM 1319 N ASP A 88 82.740 2.570 3.733 1.00 0.00 N ATOM 1320 CA ASP A 88 83.843 1.582 3.558 1.00 0.00 C ATOM 1321 C ASP A 88 85.067 2.257 2.933 1.00 0.00 C ATOM 1322 O ASP A 88 86.192 1.871 3.178 1.00 0.00 O ATOM 1323 CB ASP A 88 83.277 0.520 2.615 1.00 0.00 C ATOM 1324 CG ASP A 88 84.316 -0.583 2.404 1.00 0.00 C ATOM 1325 OD1 ASP A 88 85.140 -0.768 3.284 1.00 0.00 O ATOM 1326 OD2 ASP A 88 84.270 -1.223 1.367 1.00 0.00 O ATOM 0 H ASP A 88 82.337 2.929 2.867 1.00 0.00 H new ATOM 0 HA ASP A 88 84.168 1.155 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 88 82.363 0.098 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 88 83.012 0.972 1.659 1.00 0.00 H new ATOM 1331 N SER A 89 84.856 3.261 2.127 1.00 0.00 N ATOM 1332 CA SER A 89 86.009 3.958 1.488 1.00 0.00 C ATOM 1333 C SER A 89 87.084 4.270 2.533 1.00 0.00 C ATOM 1334 O SER A 89 88.242 4.350 2.157 1.00 0.00 O ATOM 1335 CB SER A 89 85.424 5.250 0.919 1.00 0.00 C ATOM 1336 OG SER A 89 86.466 6.020 0.334 1.00 0.00 O ATOM 1337 OXT SER A 89 86.731 4.424 3.690 1.00 0.00 O ATOM 0 H SER A 89 83.936 3.629 1.883 1.00 0.00 H new ATOM 0 HA SER A 89 86.483 3.351 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 89 84.663 5.021 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 89 84.935 5.820 1.709 1.00 0.00 H new ATOM 0 HG SER A 89 86.094 6.849 -0.033 1.00 0.00 H new TER 1343 SER A 89 HETATM 1344 CA CA A 90 61.417 3.661 7.115 1.00 1.15 CA