USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 26 ASN :FLIP amide:sc=-0.00644 F(o=0.28,f=0.95) USER MOD Set 1.2: A 58 ASN : amide:sc=-0.00533 X(o=0.95,f=0.84) USER MOD Set 1.3: A 81 SER OG : rot 51:sc= 0.965 USER MOD Set 2.1: A 8 TYR OH : rot 96:sc= 0.725 USER MOD Set 2.2: A 17 SER OG : rot -79:sc= 2.27 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 35:sc= 1.09 USER MOD Single : A 12 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -170:sc= 0.0884 USER MOD Single : A 32 SER OG : rot 180:sc= 0.121 USER MOD Single : A 37 ASN : amide:sc= -2.21 X(o=-2.2,f=-2.6) USER MOD Single : A 41 SER OG : rot 73:sc= 1.22 USER MOD Single : A 42 SER OG : rot 180:sc= -0.663 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.9!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=-0.21) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -139:sc= 0.0224 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 170:sc= -0.1 USER MOD Single : A 77 ASN : amide:sc= 0.14 K(o=0.14,f=-1.8!) USER MOD Single : A 80 SER OG : rot 94:sc= 0.75 USER MOD Single : A 85 SER OG : rot 180:sc= -0.79 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -114:sc= -0.644 (180deg=-1.79!) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 5.468 2.960 -0.367 1.00 21.01 N ATOM 24 CA LYS A 3 5.324 4.388 -0.111 1.00 0.13 C ATOM 25 C LYS A 3 6.567 4.946 0.576 1.00 73.21 C ATOM 26 O LYS A 3 6.487 5.905 1.344 1.00 42.31 O ATOM 27 CB LYS A 3 4.089 4.650 0.755 1.00 44.03 C ATOM 28 CG LYS A 3 4.086 3.874 2.061 1.00 43.34 C ATOM 29 CD LYS A 3 3.014 2.798 2.067 1.00 32.13 C ATOM 30 CE LYS A 3 1.784 3.241 2.846 1.00 64.13 C ATOM 31 NZ LYS A 3 0.796 2.137 2.996 1.00 10.33 N ATOM 0 HA LYS A 3 5.202 4.893 -1.069 1.00 0.13 H new ATOM 0 HB2 LYS A 3 4.030 5.716 0.975 1.00 44.03 H new ATOM 0 HB3 LYS A 3 3.196 4.392 0.187 1.00 44.03 H new ATOM 0 HG2 LYS A 3 5.063 3.416 2.216 1.00 43.34 H new ATOM 0 HG3 LYS A 3 3.920 4.559 2.892 1.00 43.34 H new ATOM 0 HD2 LYS A 3 2.730 2.560 1.042 1.00 32.13 H new ATOM 0 HD3 LYS A 3 3.416 1.885 2.507 1.00 32.13 H new ATOM 0 HE2 LYS A 3 2.086 3.595 3.832 1.00 64.13 H new ATOM 0 HE3 LYS A 3 1.314 4.082 2.336 1.00 64.13 H new ATOM 0 HZ1 LYS A 3 -0.027 2.478 3.532 1.00 10.33 H new ATOM 0 HZ2 LYS A 3 0.488 1.816 2.056 1.00 10.33 H new ATOM 0 HZ3 LYS A 3 1.236 1.344 3.505 1.00 10.33 H new ATOM 45 N THR A 4 7.716 4.340 0.294 1.00 72.44 N ATOM 46 CA THR A 4 8.975 4.776 0.883 1.00 21.35 C ATOM 47 C THR A 4 10.137 4.558 -0.078 1.00 64.43 C ATOM 48 O THR A 4 10.092 3.672 -0.932 1.00 40.03 O ATOM 49 CB THR A 4 9.266 4.031 2.200 1.00 4.11 C ATOM 50 OG1 THR A 4 9.477 2.639 1.939 1.00 22.03 O ATOM 51 CG2 THR A 4 8.118 4.200 3.183 1.00 75.22 C ATOM 0 H THR A 4 7.800 3.545 -0.339 1.00 72.44 H new ATOM 0 HA THR A 4 8.875 5.841 1.091 1.00 21.35 H new ATOM 0 HB THR A 4 10.166 4.458 2.642 1.00 4.11 H new ATOM 0 HG1 THR A 4 9.663 2.173 2.781 1.00 22.03 H new ATOM 0 HG21 THR A 4 8.347 3.665 4.105 1.00 75.22 H new ATOM 0 HG22 THR A 4 7.980 5.259 3.402 1.00 75.22 H new ATOM 0 HG23 THR A 4 7.204 3.797 2.747 1.00 75.22 H new ATOM 59 N VAL A 5 11.179 5.370 0.066 1.00 44.31 N ATOM 60 CA VAL A 5 12.355 5.265 -0.789 1.00 65.34 C ATOM 61 C VAL A 5 13.415 4.367 -0.159 1.00 54.31 C ATOM 62 O VAL A 5 13.810 4.567 0.990 1.00 71.33 O ATOM 63 CB VAL A 5 12.971 6.648 -1.070 1.00 5.31 C ATOM 64 CG1 VAL A 5 13.227 7.393 0.232 1.00 61.04 C ATOM 65 CG2 VAL A 5 14.255 6.506 -1.874 1.00 2.44 C ATOM 0 H VAL A 5 11.233 6.109 0.767 1.00 44.31 H new ATOM 0 HA VAL A 5 12.023 4.826 -1.730 1.00 65.34 H new ATOM 0 HB VAL A 5 12.262 7.229 -1.660 1.00 5.31 H new ATOM 0 HG11 VAL A 5 13.662 8.368 0.014 1.00 61.04 H new ATOM 0 HG12 VAL A 5 12.286 7.527 0.766 1.00 61.04 H new ATOM 0 HG13 VAL A 5 13.916 6.818 0.851 1.00 61.04 H new ATOM 0 HG21 VAL A 5 14.677 7.493 -2.063 1.00 2.44 H new ATOM 0 HG22 VAL A 5 14.972 5.907 -1.312 1.00 2.44 H new ATOM 0 HG23 VAL A 5 14.038 6.016 -2.823 1.00 2.44 H new ATOM 75 N LYS A 6 13.872 3.378 -0.919 1.00 34.43 N ATOM 76 CA LYS A 6 14.887 2.449 -0.437 1.00 21.12 C ATOM 77 C LYS A 6 16.273 2.855 -0.927 1.00 50.44 C ATOM 78 O LYS A 6 16.607 2.671 -2.099 1.00 21.45 O ATOM 79 CB LYS A 6 14.567 1.026 -0.900 1.00 64.15 C ATOM 80 CG LYS A 6 14.125 0.105 0.223 1.00 21.15 C ATOM 81 CD LYS A 6 14.193 -1.355 -0.192 1.00 44.04 C ATOM 82 CE LYS A 6 12.822 -2.012 -0.147 1.00 25.22 C ATOM 83 NZ LYS A 6 12.920 -3.498 -0.117 1.00 43.15 N ATOM 0 H LYS A 6 13.555 3.199 -1.872 1.00 34.43 H new ATOM 0 HA LYS A 6 14.883 2.479 0.653 1.00 21.12 H new ATOM 0 HB2 LYS A 6 13.782 1.067 -1.655 1.00 64.15 H new ATOM 0 HB3 LYS A 6 15.449 0.602 -1.380 1.00 64.15 H new ATOM 0 HG2 LYS A 6 14.757 0.266 1.096 1.00 21.15 H new ATOM 0 HG3 LYS A 6 13.105 0.353 0.518 1.00 21.15 H new ATOM 0 HD2 LYS A 6 14.600 -1.429 -1.200 1.00 44.04 H new ATOM 0 HD3 LYS A 6 14.876 -1.890 0.468 1.00 44.04 H new ATOM 0 HE2 LYS A 6 12.282 -1.666 0.734 1.00 25.22 H new ATOM 0 HE3 LYS A 6 12.243 -1.704 -1.017 1.00 25.22 H new ATOM 0 HZ1 LYS A 6 11.965 -3.908 -0.087 1.00 43.15 H new ATOM 0 HZ2 LYS A 6 13.413 -3.831 -0.970 1.00 43.15 H new ATOM 0 HZ3 LYS A 6 13.451 -3.794 0.727 1.00 43.15 H new ATOM 97 N LEU A 7 17.076 3.408 -0.025 1.00 42.13 N ATOM 98 CA LEU A 7 18.428 3.839 -0.366 1.00 55.41 C ATOM 99 C LEU A 7 19.441 2.738 -0.072 1.00 1.34 C ATOM 100 O LEU A 7 19.502 2.218 1.043 1.00 41.51 O ATOM 101 CB LEU A 7 18.792 5.105 0.412 1.00 34.02 C ATOM 102 CG LEU A 7 17.731 6.206 0.438 1.00 72.14 C ATOM 103 CD1 LEU A 7 18.103 7.283 1.445 1.00 62.13 C ATOM 104 CD2 LEU A 7 17.554 6.808 -0.949 1.00 33.22 C ATOM 0 H LEU A 7 16.815 3.569 0.948 1.00 42.13 H new ATOM 0 HA LEU A 7 18.456 4.056 -1.434 1.00 55.41 H new ATOM 0 HB2 LEU A 7 19.019 4.823 1.440 1.00 34.02 H new ATOM 0 HB3 LEU A 7 19.706 5.519 -0.014 1.00 34.02 H new ATOM 0 HG LEU A 7 16.783 5.764 0.745 1.00 72.14 H new ATOM 0 HD11 LEU A 7 17.336 8.058 1.449 1.00 62.13 H new ATOM 0 HD12 LEU A 7 18.178 6.842 2.439 1.00 62.13 H new ATOM 0 HD13 LEU A 7 19.062 7.723 1.170 1.00 62.13 H new ATOM 0 HD21 LEU A 7 16.795 7.590 -0.912 1.00 33.22 H new ATOM 0 HD22 LEU A 7 18.499 7.235 -1.284 1.00 33.22 H new ATOM 0 HD23 LEU A 7 17.240 6.031 -1.646 1.00 33.22 H new ATOM 116 N TYR A 8 20.236 2.389 -1.077 1.00 10.01 N ATOM 117 CA TYR A 8 21.247 1.350 -0.926 1.00 23.50 C ATOM 118 C TYR A 8 22.649 1.922 -1.110 1.00 42.53 C ATOM 119 O TYR A 8 22.857 2.838 -1.906 1.00 62.52 O ATOM 120 CB TYR A 8 21.007 0.225 -1.935 1.00 22.14 C ATOM 121 CG TYR A 8 20.026 -0.821 -1.454 1.00 4.42 C ATOM 122 CD1 TYR A 8 20.438 -1.860 -0.629 1.00 1.04 C ATOM 123 CD2 TYR A 8 18.689 -0.770 -1.825 1.00 53.22 C ATOM 124 CE1 TYR A 8 19.546 -2.818 -0.187 1.00 51.12 C ATOM 125 CE2 TYR A 8 17.789 -1.722 -1.388 1.00 22.45 C ATOM 126 CZ TYR A 8 18.223 -2.745 -0.569 1.00 15.50 C ATOM 127 OH TYR A 8 17.330 -3.696 -0.132 1.00 72.30 O ATOM 0 H TYR A 8 20.200 2.811 -2.005 1.00 10.01 H new ATOM 0 HA TYR A 8 21.169 0.947 0.084 1.00 23.50 H new ATOM 0 HB2 TYR A 8 20.638 0.656 -2.866 1.00 22.14 H new ATOM 0 HB3 TYR A 8 21.958 -0.258 -2.161 1.00 22.14 H new ATOM 0 HD1 TYR A 8 21.473 -1.920 -0.328 1.00 1.04 H new ATOM 0 HD2 TYR A 8 18.347 0.028 -2.467 1.00 53.22 H new ATOM 0 HE1 TYR A 8 19.883 -3.619 0.454 1.00 51.12 H new ATOM 0 HE2 TYR A 8 16.752 -1.666 -1.685 1.00 22.45 H new ATOM 0 HH TYR A 8 16.860 -3.364 0.661 1.00 72.30 H new ATOM 137 N GLU A 9 23.607 1.376 -0.368 1.00 61.32 N ATOM 138 CA GLU A 9 24.990 1.832 -0.449 1.00 54.23 C ATOM 139 C GLU A 9 25.682 1.254 -1.680 1.00 23.11 C ATOM 140 O GLU A 9 26.514 1.913 -2.304 1.00 71.24 O ATOM 141 CB GLU A 9 25.756 1.436 0.814 1.00 30.43 C ATOM 142 CG GLU A 9 25.954 -0.064 0.961 1.00 42.34 C ATOM 143 CD GLU A 9 25.860 -0.527 2.401 1.00 2.24 C ATOM 144 OE1 GLU A 9 24.734 -0.560 2.941 1.00 3.31 O ATOM 145 OE2 GLU A 9 26.911 -0.856 2.989 1.00 5.23 O ATOM 0 H GLU A 9 23.451 0.618 0.296 1.00 61.32 H new ATOM 0 HA GLU A 9 24.983 2.919 -0.534 1.00 54.23 H new ATOM 0 HB2 GLU A 9 26.731 1.924 0.805 1.00 30.43 H new ATOM 0 HB3 GLU A 9 25.220 1.810 1.686 1.00 30.43 H new ATOM 0 HG2 GLU A 9 25.204 -0.586 0.366 1.00 42.34 H new ATOM 0 HG3 GLU A 9 26.929 -0.339 0.558 1.00 42.34 H new ATOM 152 N ASP A 10 25.334 0.019 -2.022 1.00 34.53 N ATOM 153 CA ASP A 10 25.920 -0.650 -3.178 1.00 5.45 C ATOM 154 C ASP A 10 25.155 -0.305 -4.451 1.00 52.01 C ATOM 155 O ASP A 10 23.926 -0.371 -4.487 1.00 74.33 O ATOM 156 CB ASP A 10 25.930 -2.164 -2.967 1.00 70.54 C ATOM 157 CG ASP A 10 26.644 -2.899 -4.084 1.00 63.55 C ATOM 158 OD1 ASP A 10 25.988 -3.220 -5.097 1.00 64.43 O ATOM 159 OD2 ASP A 10 27.859 -3.155 -3.946 1.00 1.45 O ATOM 0 H ASP A 10 24.648 -0.540 -1.515 1.00 34.53 H new ATOM 0 HA ASP A 10 26.947 -0.300 -3.288 1.00 5.45 H new ATOM 0 HB2 ASP A 10 26.415 -2.392 -2.018 1.00 70.54 H new ATOM 0 HB3 ASP A 10 24.904 -2.525 -2.896 1.00 70.54 H new ATOM 164 N THR A 11 25.889 0.065 -5.496 1.00 25.42 N ATOM 165 CA THR A 11 25.280 0.422 -6.771 1.00 22.05 C ATOM 166 C THR A 11 24.838 -0.820 -7.536 1.00 42.00 C ATOM 167 O THR A 11 25.303 -1.075 -8.648 1.00 2.35 O ATOM 168 CB THR A 11 26.250 1.234 -7.649 1.00 5.22 C ATOM 169 OG1 THR A 11 25.669 1.466 -8.936 1.00 55.15 O ATOM 170 CG2 THR A 11 27.575 0.504 -7.810 1.00 3.15 C ATOM 0 H THR A 11 26.907 0.125 -5.484 1.00 25.42 H new ATOM 0 HA THR A 11 24.408 1.035 -6.544 1.00 22.05 H new ATOM 0 HB THR A 11 26.436 2.189 -7.157 1.00 5.22 H new ATOM 0 HG1 THR A 11 24.700 1.581 -8.842 1.00 55.15 H new ATOM 0 HG21 THR A 11 28.244 1.097 -8.434 1.00 3.15 H new ATOM 0 HG22 THR A 11 28.030 0.355 -6.831 1.00 3.15 H new ATOM 0 HG23 THR A 11 27.402 -0.464 -8.281 1.00 3.15 H new ATOM 178 N HIS A 12 23.937 -1.590 -6.935 1.00 71.41 N ATOM 179 CA HIS A 12 23.431 -2.806 -7.562 1.00 31.41 C ATOM 180 C HIS A 12 22.411 -3.498 -6.662 1.00 1.41 C ATOM 181 O HIS A 12 22.329 -4.726 -6.629 1.00 13.43 O ATOM 182 CB HIS A 12 24.583 -3.762 -7.874 1.00 51.35 C ATOM 183 CG HIS A 12 24.518 -4.348 -9.251 1.00 61.11 C ATOM 184 ND1 HIS A 12 24.514 -5.706 -9.491 1.00 54.03 N ATOM 185 CD2 HIS A 12 24.453 -3.753 -10.465 1.00 10.41 C ATOM 186 CE1 HIS A 12 24.450 -5.920 -10.793 1.00 64.33 C ATOM 187 NE2 HIS A 12 24.412 -4.751 -11.407 1.00 21.23 N ATOM 0 H HIS A 12 23.542 -1.394 -6.015 1.00 71.41 H new ATOM 0 HA HIS A 12 22.938 -2.526 -8.493 1.00 31.41 H new ATOM 0 HB2 HIS A 12 25.527 -3.230 -7.759 1.00 51.35 H new ATOM 0 HB3 HIS A 12 24.581 -4.571 -7.143 1.00 51.35 H new ATOM 0 HD2 HIS A 12 24.436 -2.690 -10.657 1.00 10.41 H new ATOM 0 HE1 HIS A 12 24.432 -6.887 -11.274 1.00 64.33 H new ATOM 0 HE2 HIS A 12 24.361 -4.612 -12.416 1.00 21.23 H new ATOM 195 N PHE A 13 21.637 -2.701 -5.933 1.00 34.03 N ATOM 196 CA PHE A 13 20.623 -3.236 -5.031 1.00 24.32 C ATOM 197 C PHE A 13 21.227 -4.276 -4.090 1.00 53.45 C ATOM 198 O PHE A 13 20.741 -5.403 -3.998 1.00 14.11 O ATOM 199 CB PHE A 13 19.477 -3.859 -5.830 1.00 30.51 C ATOM 200 CG PHE A 13 18.955 -2.970 -6.922 1.00 35.22 C ATOM 201 CD1 PHE A 13 17.944 -2.057 -6.666 1.00 23.20 C ATOM 202 CD2 PHE A 13 19.473 -3.048 -8.204 1.00 44.12 C ATOM 203 CE1 PHE A 13 17.462 -1.237 -7.668 1.00 75.14 C ATOM 204 CE2 PHE A 13 18.995 -2.230 -9.210 1.00 70.15 C ATOM 205 CZ PHE A 13 17.987 -1.325 -8.943 1.00 10.44 C ATOM 0 H PHE A 13 21.692 -1.683 -5.949 1.00 34.03 H new ATOM 0 HA PHE A 13 20.233 -2.413 -4.433 1.00 24.32 H new ATOM 0 HB2 PHE A 13 19.818 -4.797 -6.268 1.00 30.51 H new ATOM 0 HB3 PHE A 13 18.661 -4.103 -5.150 1.00 30.51 H new ATOM 0 HD1 PHE A 13 17.528 -1.986 -5.672 1.00 23.20 H new ATOM 0 HD2 PHE A 13 20.259 -3.756 -8.420 1.00 44.12 H new ATOM 0 HE1 PHE A 13 16.676 -0.528 -7.455 1.00 75.14 H new ATOM 0 HE2 PHE A 13 19.410 -2.299 -10.205 1.00 70.15 H new ATOM 0 HZ PHE A 13 17.610 -0.687 -9.729 1.00 10.44 H new ATOM 215 N LYS A 14 22.290 -3.888 -3.394 1.00 61.13 N ATOM 216 CA LYS A 14 22.961 -4.784 -2.460 1.00 3.11 C ATOM 217 C LYS A 14 23.301 -4.060 -1.161 1.00 43.11 C ATOM 218 O LYS A 14 23.426 -2.836 -1.136 1.00 21.35 O ATOM 219 CB LYS A 14 24.236 -5.349 -3.090 1.00 23.10 C ATOM 220 CG LYS A 14 23.974 -6.403 -4.152 1.00 24.12 C ATOM 221 CD LYS A 14 24.286 -7.800 -3.640 1.00 54.41 C ATOM 222 CE LYS A 14 23.258 -8.260 -2.618 1.00 22.34 C ATOM 223 NZ LYS A 14 23.026 -9.729 -2.688 1.00 31.50 N ATOM 0 H LYS A 14 22.705 -2.959 -3.459 1.00 61.13 H new ATOM 0 HA LYS A 14 22.282 -5.605 -2.231 1.00 3.11 H new ATOM 0 HB2 LYS A 14 24.805 -4.532 -3.534 1.00 23.10 H new ATOM 0 HB3 LYS A 14 24.858 -5.782 -2.306 1.00 23.10 H new ATOM 0 HG2 LYS A 14 22.931 -6.354 -4.465 1.00 24.12 H new ATOM 0 HG3 LYS A 14 24.582 -6.193 -5.032 1.00 24.12 H new ATOM 0 HD2 LYS A 14 24.308 -8.499 -4.476 1.00 54.41 H new ATOM 0 HD3 LYS A 14 25.279 -7.811 -3.190 1.00 54.41 H new ATOM 0 HE2 LYS A 14 23.596 -7.993 -1.617 1.00 22.34 H new ATOM 0 HE3 LYS A 14 22.318 -7.735 -2.787 1.00 22.34 H new ATOM 0 HZ1 LYS A 14 22.319 -10.003 -1.976 1.00 31.50 H new ATOM 0 HZ2 LYS A 14 22.679 -9.981 -3.635 1.00 31.50 H new ATOM 0 HZ3 LYS A 14 23.918 -10.231 -2.501 1.00 31.50 H new ATOM 237 N GLY A 15 23.451 -4.825 -0.084 1.00 3.01 N ATOM 238 CA GLY A 15 23.777 -4.239 1.203 1.00 51.51 C ATOM 239 C GLY A 15 22.542 -3.871 2.002 1.00 62.32 C ATOM 240 O GLY A 15 21.489 -4.490 1.850 1.00 71.44 O ATOM 0 H GLY A 15 23.353 -5.840 -0.080 1.00 3.01 H new ATOM 0 HA2 GLY A 15 24.381 -4.942 1.777 1.00 51.51 H new ATOM 0 HA3 GLY A 15 24.386 -3.348 1.049 1.00 51.51 H new ATOM 244 N TYR A 16 22.671 -2.863 2.857 1.00 41.23 N ATOM 245 CA TYR A 16 21.558 -2.417 3.686 1.00 51.31 C ATOM 246 C TYR A 16 20.684 -1.417 2.934 1.00 65.34 C ATOM 247 O TYR A 16 21.129 -0.786 1.975 1.00 74.35 O ATOM 248 CB TYR A 16 22.078 -1.785 4.978 1.00 2.20 C ATOM 249 CG TYR A 16 21.108 -1.884 6.134 1.00 44.12 C ATOM 250 CD1 TYR A 16 20.950 -3.073 6.834 1.00 62.42 C ATOM 251 CD2 TYR A 16 20.351 -0.787 6.526 1.00 31.14 C ATOM 252 CE1 TYR A 16 20.065 -3.169 7.890 1.00 52.51 C ATOM 253 CE2 TYR A 16 19.464 -0.873 7.582 1.00 1.52 C ATOM 254 CZ TYR A 16 19.324 -2.065 8.260 1.00 22.44 C ATOM 255 OH TYR A 16 18.442 -2.156 9.313 1.00 42.33 O ATOM 0 H TYR A 16 23.535 -2.339 2.994 1.00 41.23 H new ATOM 0 HA TYR A 16 20.951 -3.288 3.934 1.00 51.31 H new ATOM 0 HB2 TYR A 16 23.014 -2.268 5.258 1.00 2.20 H new ATOM 0 HB3 TYR A 16 22.304 -0.735 4.793 1.00 2.20 H new ATOM 0 HD1 TYR A 16 21.530 -3.938 6.547 1.00 62.42 H new ATOM 0 HD2 TYR A 16 20.458 0.148 5.997 1.00 31.14 H new ATOM 0 HE1 TYR A 16 19.954 -4.102 8.423 1.00 52.51 H new ATOM 0 HE2 TYR A 16 18.883 -0.011 7.875 1.00 1.52 H new ATOM 0 HH TYR A 16 18.000 -1.291 9.445 1.00 42.33 H new ATOM 265 N SER A 17 19.439 -1.279 3.377 1.00 41.41 N ATOM 266 CA SER A 17 18.501 -0.359 2.745 1.00 54.32 C ATOM 267 C SER A 17 17.938 0.628 3.763 1.00 35.23 C ATOM 268 O SER A 17 17.676 0.271 4.912 1.00 71.40 O ATOM 269 CB SER A 17 17.359 -1.135 2.085 1.00 44.24 C ATOM 270 OG SER A 17 17.536 -2.532 2.240 1.00 32.24 O ATOM 0 H SER A 17 19.056 -1.792 4.171 1.00 41.41 H new ATOM 0 HA SER A 17 19.040 0.202 1.981 1.00 54.32 H new ATOM 0 HB2 SER A 17 16.408 -0.835 2.526 1.00 44.24 H new ATOM 0 HB3 SER A 17 17.311 -0.887 1.025 1.00 44.24 H new ATOM 0 HG SER A 17 18.192 -2.853 1.586 1.00 32.24 H new ATOM 276 N VAL A 18 17.753 1.872 3.333 1.00 4.13 N ATOM 277 CA VAL A 18 17.220 2.911 4.206 1.00 44.51 C ATOM 278 C VAL A 18 15.874 3.417 3.700 1.00 61.21 C ATOM 279 O VAL A 18 15.743 3.809 2.541 1.00 64.31 O ATOM 280 CB VAL A 18 18.193 4.101 4.321 1.00 75.31 C ATOM 281 CG1 VAL A 18 17.555 5.238 5.105 1.00 60.24 C ATOM 282 CG2 VAL A 18 19.497 3.661 4.969 1.00 51.34 C ATOM 0 H VAL A 18 17.964 2.185 2.385 1.00 4.13 H new ATOM 0 HA VAL A 18 17.089 2.461 5.190 1.00 44.51 H new ATOM 0 HB VAL A 18 18.417 4.464 3.318 1.00 75.31 H new ATOM 0 HG11 VAL A 18 18.256 6.069 5.176 1.00 60.24 H new ATOM 0 HG12 VAL A 18 16.650 5.569 4.595 1.00 60.24 H new ATOM 0 HG13 VAL A 18 17.301 4.891 6.107 1.00 60.24 H new ATOM 0 HG21 VAL A 18 20.173 4.513 5.042 1.00 51.34 H new ATOM 0 HG22 VAL A 18 19.294 3.272 5.967 1.00 51.34 H new ATOM 0 HG23 VAL A 18 19.960 2.882 4.363 1.00 51.34 H new ATOM 292 N GLU A 19 14.876 3.405 4.578 1.00 73.03 N ATOM 293 CA GLU A 19 13.538 3.862 4.219 1.00 44.32 C ATOM 294 C GLU A 19 13.279 5.265 4.762 1.00 60.44 C ATOM 295 O GLU A 19 13.645 5.582 5.894 1.00 35.34 O ATOM 296 CB GLU A 19 12.483 2.893 4.755 1.00 71.34 C ATOM 297 CG GLU A 19 12.574 2.661 6.253 1.00 2.15 C ATOM 298 CD GLU A 19 13.518 1.530 6.613 1.00 71.25 C ATOM 299 OE1 GLU A 19 13.479 0.485 5.930 1.00 30.23 O ATOM 300 OE2 GLU A 19 14.296 1.690 7.576 1.00 12.44 O ATOM 0 H GLU A 19 14.968 3.084 5.542 1.00 73.03 H new ATOM 0 HA GLU A 19 13.472 3.894 3.131 1.00 44.32 H new ATOM 0 HB2 GLU A 19 11.492 3.279 4.515 1.00 71.34 H new ATOM 0 HB3 GLU A 19 12.585 1.937 4.241 1.00 71.34 H new ATOM 0 HG2 GLU A 19 12.909 3.577 6.739 1.00 2.15 H new ATOM 0 HG3 GLU A 19 11.581 2.438 6.643 1.00 2.15 H new ATOM 307 N LEU A 20 12.647 6.101 3.946 1.00 75.43 N ATOM 308 CA LEU A 20 12.338 7.470 4.343 1.00 52.14 C ATOM 309 C LEU A 20 10.900 7.831 3.982 1.00 63.31 C ATOM 310 O LEU A 20 10.623 8.400 2.926 1.00 3.11 O ATOM 311 CB LEU A 20 13.305 8.447 3.671 1.00 75.13 C ATOM 312 CG LEU A 20 14.754 7.977 3.545 1.00 61.21 C ATOM 313 CD1 LEU A 20 15.560 8.953 2.702 1.00 25.41 C ATOM 314 CD2 LEU A 20 15.383 7.812 4.921 1.00 74.11 C ATOM 0 H LEU A 20 12.339 5.855 3.005 1.00 75.43 H new ATOM 0 HA LEU A 20 12.450 7.542 5.425 1.00 52.14 H new ATOM 0 HB2 LEU A 20 12.929 8.671 2.673 1.00 75.13 H new ATOM 0 HB3 LEU A 20 13.295 9.381 4.232 1.00 75.13 H new ATOM 0 HG LEU A 20 14.759 7.008 3.047 1.00 61.21 H new ATOM 0 HD11 LEU A 20 16.589 8.602 2.623 1.00 25.41 H new ATOM 0 HD12 LEU A 20 15.123 9.021 1.706 1.00 25.41 H new ATOM 0 HD13 LEU A 20 15.547 9.936 3.172 1.00 25.41 H new ATOM 0 HD21 LEU A 20 16.414 7.477 4.812 1.00 74.11 H new ATOM 0 HD22 LEU A 20 15.365 8.767 5.446 1.00 74.11 H new ATOM 0 HD23 LEU A 20 14.820 7.074 5.492 1.00 74.11 H new ATOM 326 N PRO A 21 9.962 7.494 4.880 1.00 65.02 N ATOM 327 CA PRO A 21 8.538 7.775 4.680 1.00 53.13 C ATOM 328 C PRO A 21 8.223 9.265 4.764 1.00 24.22 C ATOM 329 O PRO A 21 7.658 9.735 5.751 1.00 1.34 O ATOM 330 CB PRO A 21 7.863 7.020 5.827 1.00 14.25 C ATOM 331 CG PRO A 21 8.908 6.924 6.885 1.00 51.44 C ATOM 332 CD PRO A 21 10.221 6.813 6.160 1.00 52.41 C ATOM 0 HA PRO A 21 8.197 7.469 3.691 1.00 53.13 H new ATOM 0 HB2 PRO A 21 6.983 7.552 6.187 1.00 14.25 H new ATOM 0 HB3 PRO A 21 7.530 6.032 5.509 1.00 14.25 H new ATOM 0 HG2 PRO A 21 8.892 7.802 7.531 1.00 51.44 H new ATOM 0 HG3 PRO A 21 8.739 6.056 7.523 1.00 51.44 H new ATOM 0 HD2 PRO A 21 11.028 7.292 6.714 1.00 52.41 H new ATOM 0 HD3 PRO A 21 10.511 5.773 6.011 1.00 52.41 H new ATOM 340 N VAL A 22 8.593 10.003 3.722 1.00 31.02 N ATOM 341 CA VAL A 22 8.349 11.440 3.678 1.00 34.31 C ATOM 342 C VAL A 22 9.150 12.167 4.752 1.00 22.41 C ATOM 343 O VAL A 22 9.227 11.717 5.895 1.00 41.32 O ATOM 344 CB VAL A 22 6.854 11.761 3.863 1.00 33.23 C ATOM 345 CG1 VAL A 22 6.584 13.230 3.579 1.00 52.45 C ATOM 346 CG2 VAL A 22 6.003 10.871 2.969 1.00 3.12 C ATOM 0 H VAL A 22 9.063 9.629 2.897 1.00 31.02 H new ATOM 0 HA VAL A 22 8.669 11.785 2.695 1.00 34.31 H new ATOM 0 HB VAL A 22 6.583 11.561 4.900 1.00 33.23 H new ATOM 0 HG11 VAL A 22 5.523 13.438 3.715 1.00 52.45 H new ATOM 0 HG12 VAL A 22 7.165 13.846 4.265 1.00 52.45 H new ATOM 0 HG13 VAL A 22 6.870 13.461 2.553 1.00 52.45 H new ATOM 0 HG21 VAL A 22 4.950 11.112 3.113 1.00 3.12 H new ATOM 0 HG22 VAL A 22 6.274 11.037 1.926 1.00 3.12 H new ATOM 0 HG23 VAL A 22 6.175 9.826 3.227 1.00 3.12 H new ATOM 356 N GLY A 23 9.746 13.294 4.377 1.00 42.34 N ATOM 357 CA GLY A 23 10.534 14.066 5.319 1.00 3.34 C ATOM 358 C GLY A 23 11.868 14.499 4.743 1.00 54.32 C ATOM 359 O GLY A 23 12.289 14.005 3.697 1.00 42.10 O ATOM 0 H GLY A 23 9.697 13.686 3.437 1.00 42.34 H new ATOM 0 HA2 GLY A 23 9.970 14.948 5.623 1.00 3.34 H new ATOM 0 HA3 GLY A 23 10.705 13.472 6.217 1.00 3.34 H new ATOM 363 N ASP A 24 12.532 15.426 5.424 1.00 22.34 N ATOM 364 CA ASP A 24 13.826 15.926 4.973 1.00 14.14 C ATOM 365 C ASP A 24 14.935 15.507 5.933 1.00 10.52 C ATOM 366 O ASP A 24 14.764 15.549 7.152 1.00 51.22 O ATOM 367 CB ASP A 24 13.791 17.450 4.848 1.00 62.05 C ATOM 368 CG ASP A 24 12.805 18.088 5.806 1.00 23.04 C ATOM 369 OD1 ASP A 24 13.193 18.358 6.962 1.00 14.12 O ATOM 370 OD2 ASP A 24 11.646 18.316 5.401 1.00 1.42 O ATOM 0 H ASP A 24 12.196 15.847 6.290 1.00 22.34 H new ATOM 0 HA ASP A 24 14.035 15.493 3.995 1.00 14.14 H new ATOM 0 HB2 ASP A 24 14.787 17.850 5.037 1.00 62.05 H new ATOM 0 HB3 ASP A 24 13.527 17.722 3.826 1.00 62.05 H new ATOM 375 N TYR A 25 16.071 15.103 5.376 1.00 50.41 N ATOM 376 CA TYR A 25 17.207 14.674 6.182 1.00 23.42 C ATOM 377 C TYR A 25 18.485 15.383 5.744 1.00 22.43 C ATOM 378 O TYR A 25 18.621 15.784 4.589 1.00 12.24 O ATOM 379 CB TYR A 25 17.390 13.159 6.077 1.00 32.53 C ATOM 380 CG TYR A 25 16.091 12.387 6.134 1.00 71.22 C ATOM 381 CD1 TYR A 25 15.214 12.385 5.056 1.00 61.43 C ATOM 382 CD2 TYR A 25 15.740 11.661 7.265 1.00 73.30 C ATOM 383 CE1 TYR A 25 14.026 11.682 5.103 1.00 72.42 C ATOM 384 CE2 TYR A 25 14.554 10.954 7.320 1.00 23.44 C ATOM 385 CZ TYR A 25 13.701 10.967 6.237 1.00 14.31 C ATOM 386 OH TYR A 25 12.518 10.265 6.289 1.00 42.41 O ATOM 0 H TYR A 25 16.229 15.064 4.369 1.00 50.41 H new ATOM 0 HA TYR A 25 17.004 14.938 7.220 1.00 23.42 H new ATOM 0 HB2 TYR A 25 17.900 12.927 5.142 1.00 32.53 H new ATOM 0 HB3 TYR A 25 18.039 12.823 6.886 1.00 32.53 H new ATOM 0 HD1 TYR A 25 15.466 12.943 4.166 1.00 61.43 H new ATOM 0 HD2 TYR A 25 16.405 11.649 8.116 1.00 73.30 H new ATOM 0 HE1 TYR A 25 13.355 11.692 4.257 1.00 72.42 H new ATOM 0 HE2 TYR A 25 14.297 10.394 8.207 1.00 23.44 H new ATOM 0 HH TYR A 25 12.442 9.816 7.157 1.00 42.41 H new ATOM 396 N ASN A 26 19.421 15.532 6.677 1.00 75.12 N ATOM 397 CA ASN A 26 20.689 16.192 6.389 1.00 54.14 C ATOM 398 C ASN A 26 21.848 15.204 6.474 1.00 50.13 C ATOM 399 O ASN A 26 21.641 13.993 6.567 1.00 51.43 O ATOM 400 CB ASN A 26 20.918 17.350 7.363 1.00 73.44 C ATOM 401 CG ASN A 26 19.681 18.209 7.540 1.00 41.41 C ATOM 402 OD1 ASN A 26 19.203 18.790 6.446 1.00 42.15 O flip ATOM 403 ND2 ASN A 26 19.162 18.349 8.648 1.00 51.42 N flip ATOM 0 H ASN A 26 19.325 15.205 7.638 1.00 75.12 H new ATOM 0 HA ASN A 26 20.643 16.584 5.373 1.00 54.14 H new ATOM 0 HB2 ASN A 26 21.222 16.952 8.331 1.00 73.44 H new ATOM 0 HB3 ASN A 26 21.738 17.969 7.001 1.00 73.44 H new ATOM 0 HD21 ASN A 26 19.564 17.883 9.462 1.00 51.42 H new ATOM 0 HD22 ASN A 26 18.331 18.931 8.752 1.00 51.42 H new ATOM 410 N LEU A 27 23.068 15.728 6.442 1.00 42.32 N ATOM 411 CA LEU A 27 24.262 14.893 6.516 1.00 11.01 C ATOM 412 C LEU A 27 24.253 14.042 7.782 1.00 3.20 C ATOM 413 O LEU A 27 24.441 12.827 7.726 1.00 32.14 O ATOM 414 CB LEU A 27 25.520 15.763 6.481 1.00 72.30 C ATOM 415 CG LEU A 27 26.804 15.106 6.988 1.00 63.25 C ATOM 416 CD1 LEU A 27 27.999 15.569 6.169 1.00 5.43 C ATOM 417 CD2 LEU A 27 27.014 15.413 8.463 1.00 24.11 C ATOM 0 H LEU A 27 23.257 16.727 6.365 1.00 42.32 H new ATOM 0 HA LEU A 27 24.264 14.227 5.653 1.00 11.01 H new ATOM 0 HB2 LEU A 27 25.684 16.089 5.454 1.00 72.30 H new ATOM 0 HB3 LEU A 27 25.335 16.658 7.074 1.00 72.30 H new ATOM 0 HG LEU A 27 26.707 14.026 6.873 1.00 63.25 H new ATOM 0 HD11 LEU A 27 28.904 15.091 6.544 1.00 5.43 H new ATOM 0 HD12 LEU A 27 27.851 15.297 5.124 1.00 5.43 H new ATOM 0 HD13 LEU A 27 28.099 16.651 6.251 1.00 5.43 H new ATOM 0 HD21 LEU A 27 27.933 14.937 8.806 1.00 24.11 H new ATOM 0 HD22 LEU A 27 27.090 16.491 8.603 1.00 24.11 H new ATOM 0 HD23 LEU A 27 26.171 15.031 9.038 1.00 24.11 H new ATOM 429 N SER A 28 24.032 14.689 8.922 1.00 22.10 N ATOM 430 CA SER A 28 24.000 13.992 10.203 1.00 64.15 C ATOM 431 C SER A 28 22.880 12.957 10.230 1.00 70.21 C ATOM 432 O SER A 28 23.085 11.815 10.642 1.00 73.05 O ATOM 433 CB SER A 28 23.815 14.991 11.346 1.00 24.24 C ATOM 434 OG SER A 28 24.733 14.739 12.397 1.00 75.21 O ATOM 0 H SER A 28 23.872 15.694 8.985 1.00 22.10 H new ATOM 0 HA SER A 28 24.951 13.476 10.332 1.00 64.15 H new ATOM 0 HB2 SER A 28 23.954 16.006 10.973 1.00 24.24 H new ATOM 0 HB3 SER A 28 22.795 14.928 11.726 1.00 24.24 H new ATOM 0 HG SER A 28 24.596 15.392 13.115 1.00 75.21 H new ATOM 440 N SER A 29 21.695 13.365 9.788 1.00 14.34 N ATOM 441 CA SER A 29 20.539 12.476 9.765 1.00 25.33 C ATOM 442 C SER A 29 20.861 11.188 9.013 1.00 33.44 C ATOM 443 O SER A 29 20.350 10.117 9.345 1.00 11.04 O ATOM 444 CB SER A 29 19.344 13.174 9.115 1.00 11.51 C ATOM 445 OG SER A 29 19.097 14.432 9.721 1.00 71.34 O ATOM 0 H SER A 29 21.510 14.306 9.441 1.00 14.34 H new ATOM 0 HA SER A 29 20.286 12.223 10.794 1.00 25.33 H new ATOM 0 HB2 SER A 29 19.533 13.311 8.050 1.00 11.51 H new ATOM 0 HB3 SER A 29 18.459 12.544 9.203 1.00 11.51 H new ATOM 0 HG SER A 29 18.242 14.787 9.401 1.00 71.34 H new ATOM 451 N LEU A 30 21.711 11.299 7.998 1.00 35.04 N ATOM 452 CA LEU A 30 22.101 10.144 7.198 1.00 65.04 C ATOM 453 C LEU A 30 22.993 9.202 8.000 1.00 31.40 C ATOM 454 O LEU A 30 22.957 7.986 7.810 1.00 30.50 O ATOM 455 CB LEU A 30 22.830 10.599 5.932 1.00 51.21 C ATOM 456 CG LEU A 30 21.943 11.093 4.788 1.00 3.32 C ATOM 457 CD1 LEU A 30 22.713 12.051 3.892 1.00 14.30 C ATOM 458 CD2 LEU A 30 21.409 9.919 3.982 1.00 72.41 C ATOM 0 H LEU A 30 22.143 12.177 7.710 1.00 35.04 H new ATOM 0 HA LEU A 30 21.196 9.606 6.916 1.00 65.04 H new ATOM 0 HB2 LEU A 30 23.520 11.399 6.202 1.00 51.21 H new ATOM 0 HB3 LEU A 30 23.433 9.768 5.565 1.00 51.21 H new ATOM 0 HG LEU A 30 21.096 11.629 5.216 1.00 3.32 H new ATOM 0 HD11 LEU A 30 22.066 12.392 3.084 1.00 14.30 H new ATOM 0 HD12 LEU A 30 23.046 12.908 4.477 1.00 14.30 H new ATOM 0 HD13 LEU A 30 23.579 11.540 3.472 1.00 14.30 H new ATOM 0 HD21 LEU A 30 20.780 10.289 3.172 1.00 72.41 H new ATOM 0 HD22 LEU A 30 22.243 9.355 3.564 1.00 72.41 H new ATOM 0 HD23 LEU A 30 20.821 9.270 4.631 1.00 72.41 H new ATOM 470 N ILE A 31 23.790 9.771 8.898 1.00 60.12 N ATOM 471 CA ILE A 31 24.688 8.981 9.731 1.00 11.13 C ATOM 472 C ILE A 31 23.907 8.034 10.637 1.00 42.35 C ATOM 473 O ILE A 31 24.272 6.869 10.796 1.00 50.44 O ATOM 474 CB ILE A 31 25.586 9.881 10.601 1.00 70.32 C ATOM 475 CG1 ILE A 31 26.183 11.010 9.758 1.00 33.21 C ATOM 476 CG2 ILE A 31 26.688 9.058 11.251 1.00 4.31 C ATOM 477 CD1 ILE A 31 26.876 10.526 8.504 1.00 51.04 C ATOM 0 H ILE A 31 23.832 10.776 9.067 1.00 60.12 H new ATOM 0 HA ILE A 31 25.315 8.399 9.055 1.00 11.13 H new ATOM 0 HB ILE A 31 24.977 10.325 11.389 1.00 70.32 H new ATOM 0 HG12 ILE A 31 25.389 11.704 9.480 1.00 33.21 H new ATOM 0 HG13 ILE A 31 26.896 11.568 10.365 1.00 33.21 H new ATOM 0 HG21 ILE A 31 27.314 9.707 11.863 1.00 4.31 H new ATOM 0 HG22 ILE A 31 26.243 8.286 11.879 1.00 4.31 H new ATOM 0 HG23 ILE A 31 27.297 8.590 10.478 1.00 4.31 H new ATOM 0 HD11 ILE A 31 27.275 11.380 7.956 1.00 51.04 H new ATOM 0 HD12 ILE A 31 27.692 9.855 8.775 1.00 51.04 H new ATOM 0 HD13 ILE A 31 26.162 9.993 7.876 1.00 51.04 H new ATOM 489 N SER A 32 22.830 8.542 11.226 1.00 12.34 N ATOM 490 CA SER A 32 21.998 7.743 12.118 1.00 73.43 C ATOM 491 C SER A 32 21.331 6.599 11.358 1.00 3.24 C ATOM 492 O SER A 32 21.048 5.545 11.927 1.00 75.44 O ATOM 493 CB SER A 32 20.933 8.620 12.779 1.00 32.52 C ATOM 494 OG SER A 32 21.121 9.985 12.451 1.00 1.22 O ATOM 0 H SER A 32 22.513 9.503 11.102 1.00 12.34 H new ATOM 0 HA SER A 32 22.639 7.319 12.891 1.00 73.43 H new ATOM 0 HB2 SER A 32 19.942 8.299 12.458 1.00 32.52 H new ATOM 0 HB3 SER A 32 20.974 8.494 13.861 1.00 32.52 H new ATOM 0 HG SER A 32 20.427 10.524 12.884 1.00 1.22 H new ATOM 500 N ARG A 33 21.085 6.817 10.071 1.00 74.12 N ATOM 501 CA ARG A 33 20.451 5.806 9.233 1.00 54.31 C ATOM 502 C ARG A 33 21.414 4.659 8.942 1.00 34.11 C ATOM 503 O ARG A 33 21.013 3.613 8.433 1.00 24.11 O ATOM 504 CB ARG A 33 19.971 6.429 7.920 1.00 22.14 C ATOM 505 CG ARG A 33 19.102 7.661 8.112 1.00 1.04 C ATOM 506 CD ARG A 33 17.662 7.397 7.701 1.00 21.34 C ATOM 507 NE ARG A 33 17.158 6.140 8.249 1.00 5.01 N ATOM 508 CZ ARG A 33 16.822 5.976 9.524 1.00 42.33 C ATOM 509 NH1 ARG A 33 16.935 6.985 10.377 1.00 31.43 N ATOM 510 NH2 ARG A 33 16.371 4.802 9.947 1.00 45.23 N ATOM 0 H ARG A 33 21.315 7.684 9.585 1.00 74.12 H new ATOM 0 HA ARG A 33 19.592 5.408 9.774 1.00 54.31 H new ATOM 0 HB2 ARG A 33 20.838 6.697 7.317 1.00 22.14 H new ATOM 0 HB3 ARG A 33 19.410 5.683 7.358 1.00 22.14 H new ATOM 0 HG2 ARG A 33 19.132 7.970 9.157 1.00 1.04 H new ATOM 0 HG3 ARG A 33 19.504 8.486 7.524 1.00 1.04 H new ATOM 0 HD2 ARG A 33 17.032 8.219 8.040 1.00 21.34 H new ATOM 0 HD3 ARG A 33 17.594 7.371 6.613 1.00 21.34 H new ATOM 0 HE ARG A 33 17.059 5.345 7.618 1.00 5.01 H new ATOM 0 HH11 ARG A 33 17.280 7.889 10.055 1.00 31.43 H new ATOM 0 HH12 ARG A 33 16.677 6.857 11.355 1.00 31.43 H new ATOM 0 HH21 ARG A 33 16.282 4.024 9.293 1.00 45.23 H new ATOM 0 HH22 ARG A 33 16.113 4.677 10.926 1.00 45.23 H new ATOM 524 N GLY A 34 22.686 4.864 9.269 1.00 22.30 N ATOM 525 CA GLY A 34 23.686 3.839 9.035 1.00 24.40 C ATOM 526 C GLY A 34 24.396 4.013 7.707 1.00 51.30 C ATOM 527 O GLY A 34 25.304 3.251 7.376 1.00 53.32 O ATOM 0 H GLY A 34 23.042 5.721 9.692 1.00 22.30 H new ATOM 0 HA2 GLY A 34 24.419 3.861 9.841 1.00 24.40 H new ATOM 0 HA3 GLY A 34 23.210 2.859 9.063 1.00 24.40 H new ATOM 531 N ALA A 35 23.980 5.019 6.944 1.00 63.45 N ATOM 532 CA ALA A 35 24.583 5.291 5.644 1.00 35.14 C ATOM 533 C ALA A 35 25.254 6.660 5.627 1.00 71.13 C ATOM 534 O ALA A 35 24.602 7.685 5.829 1.00 10.20 O ATOM 535 CB ALA A 35 23.533 5.202 4.547 1.00 74.52 C ATOM 0 H ALA A 35 23.229 5.658 7.203 1.00 63.45 H new ATOM 0 HA ALA A 35 25.349 4.537 5.461 1.00 35.14 H new ATOM 0 HB1 ALA A 35 23.997 5.407 3.582 1.00 74.52 H new ATOM 0 HB2 ALA A 35 23.101 4.201 4.537 1.00 74.52 H new ATOM 0 HB3 ALA A 35 22.747 5.934 4.735 1.00 74.52 H new ATOM 541 N LEU A 36 26.560 6.670 5.384 1.00 30.13 N ATOM 542 CA LEU A 36 27.321 7.914 5.341 1.00 54.02 C ATOM 543 C LEU A 36 26.855 8.797 4.187 1.00 30.14 C ATOM 544 O LEU A 36 26.481 8.301 3.125 1.00 10.34 O ATOM 545 CB LEU A 36 28.814 7.617 5.200 1.00 65.23 C ATOM 546 CG LEU A 36 29.744 8.387 6.139 1.00 54.14 C ATOM 547 CD1 LEU A 36 29.708 9.874 5.823 1.00 13.44 C ATOM 548 CD2 LEU A 36 29.361 8.138 7.590 1.00 13.32 C ATOM 0 H LEU A 36 27.114 5.831 5.214 1.00 30.13 H new ATOM 0 HA LEU A 36 27.150 8.448 6.276 1.00 54.02 H new ATOM 0 HB2 LEU A 36 28.969 6.550 5.362 1.00 65.23 H new ATOM 0 HB3 LEU A 36 29.111 7.829 4.173 1.00 65.23 H new ATOM 0 HG LEU A 36 30.762 8.029 5.987 1.00 54.14 H new ATOM 0 HD11 LEU A 36 30.375 10.406 6.501 1.00 13.44 H new ATOM 0 HD12 LEU A 36 30.031 10.035 4.795 1.00 13.44 H new ATOM 0 HD13 LEU A 36 28.692 10.248 5.947 1.00 13.44 H new ATOM 0 HD21 LEU A 36 30.033 8.693 8.244 1.00 13.32 H new ATOM 0 HD22 LEU A 36 28.336 8.469 7.758 1.00 13.32 H new ATOM 0 HD23 LEU A 36 29.439 7.073 7.809 1.00 13.32 H new ATOM 560 N ASN A 37 26.883 10.108 4.404 1.00 72.12 N ATOM 561 CA ASN A 37 26.465 11.060 3.382 1.00 41.55 C ATOM 562 C ASN A 37 27.167 10.779 2.057 1.00 43.34 C ATOM 563 O ASN A 37 26.559 10.862 0.990 1.00 55.23 O ATOM 564 CB ASN A 37 26.762 12.491 3.836 1.00 65.13 C ATOM 565 CG ASN A 37 28.245 12.736 4.040 1.00 40.44 C ATOM 566 OD1 ASN A 37 28.985 12.964 3.083 1.00 63.24 O ATOM 567 ND2 ASN A 37 28.685 12.691 5.292 1.00 63.04 N ATOM 0 H ASN A 37 27.191 10.535 5.278 1.00 72.12 H new ATOM 0 HA ASN A 37 25.391 10.948 3.235 1.00 41.55 H new ATOM 0 HB2 ASN A 37 26.379 13.192 3.094 1.00 65.13 H new ATOM 0 HB3 ASN A 37 26.232 12.692 4.767 1.00 65.13 H new ATOM 0 HD21 ASN A 37 29.673 12.849 5.491 1.00 63.04 H new ATOM 0 HD22 ASN A 37 28.035 12.499 6.054 1.00 63.04 H new ATOM 574 N ASP A 38 28.451 10.446 2.133 1.00 40.11 N ATOM 575 CA ASP A 38 29.236 10.151 0.940 1.00 25.33 C ATOM 576 C ASP A 38 29.554 8.661 0.854 1.00 2.10 C ATOM 577 O ASP A 38 30.636 8.223 1.245 1.00 4.43 O ATOM 578 CB ASP A 38 30.533 10.962 0.944 1.00 40.04 C ATOM 579 CG ASP A 38 31.345 10.751 2.207 1.00 53.24 C ATOM 580 OD1 ASP A 38 30.916 11.235 3.275 1.00 1.14 O ATOM 581 OD2 ASP A 38 32.408 10.102 2.127 1.00 71.45 O ATOM 0 H ASP A 38 28.970 10.374 3.008 1.00 40.11 H new ATOM 0 HA ASP A 38 28.645 10.429 0.068 1.00 25.33 H new ATOM 0 HB2 ASP A 38 31.134 10.684 0.078 1.00 40.04 H new ATOM 0 HB3 ASP A 38 30.296 12.021 0.841 1.00 40.04 H new ATOM 586 N ASP A 39 28.604 7.888 0.341 1.00 61.45 N ATOM 587 CA ASP A 39 28.782 6.447 0.203 1.00 64.21 C ATOM 588 C ASP A 39 27.648 5.834 -0.613 1.00 10.43 C ATOM 589 O ASP A 39 27.862 4.907 -1.395 1.00 34.14 O ATOM 590 CB ASP A 39 28.851 5.786 1.581 1.00 42.05 C ATOM 591 CG ASP A 39 28.717 4.278 1.507 1.00 74.24 C ATOM 592 OD1 ASP A 39 29.453 3.655 0.713 1.00 14.12 O ATOM 593 OD2 ASP A 39 27.875 3.720 2.242 1.00 54.15 O ATOM 0 H ASP A 39 27.702 8.235 0.014 1.00 61.45 H new ATOM 0 HA ASP A 39 29.720 6.271 -0.324 1.00 64.21 H new ATOM 0 HB2 ASP A 39 29.798 6.041 2.056 1.00 42.05 H new ATOM 0 HB3 ASP A 39 28.059 6.188 2.213 1.00 42.05 H new ATOM 598 N LEU A 40 26.442 6.358 -0.425 1.00 34.24 N ATOM 599 CA LEU A 40 25.272 5.862 -1.142 1.00 42.11 C ATOM 600 C LEU A 40 25.560 5.743 -2.635 1.00 74.43 C ATOM 601 O LEU A 40 26.033 6.689 -3.264 1.00 51.01 O ATOM 602 CB LEU A 40 24.078 6.790 -0.914 1.00 11.33 C ATOM 603 CG LEU A 40 22.879 6.176 -0.190 1.00 61.12 C ATOM 604 CD1 LEU A 40 23.317 5.532 1.116 1.00 33.40 C ATOM 605 CD2 LEU A 40 21.812 7.231 0.064 1.00 21.44 C ATOM 0 H LEU A 40 26.248 7.126 0.218 1.00 34.24 H new ATOM 0 HA LEU A 40 25.033 4.871 -0.756 1.00 42.11 H new ATOM 0 HB2 LEU A 40 24.419 7.654 -0.343 1.00 11.33 H new ATOM 0 HB3 LEU A 40 23.741 7.161 -1.882 1.00 11.33 H new ATOM 0 HG LEU A 40 22.451 5.402 -0.827 1.00 61.12 H new ATOM 0 HD11 LEU A 40 22.451 5.100 1.617 1.00 33.40 H new ATOM 0 HD12 LEU A 40 24.045 4.747 0.909 1.00 33.40 H new ATOM 0 HD13 LEU A 40 23.770 6.286 1.759 1.00 33.40 H new ATOM 0 HD21 LEU A 40 20.966 6.776 0.580 1.00 21.44 H new ATOM 0 HD22 LEU A 40 22.228 8.028 0.681 1.00 21.44 H new ATOM 0 HD23 LEU A 40 21.477 7.646 -0.887 1.00 21.44 H new ATOM 617 N SER A 41 25.268 4.574 -3.197 1.00 64.31 N ATOM 618 CA SER A 41 25.497 4.330 -4.616 1.00 61.44 C ATOM 619 C SER A 41 24.246 3.760 -5.278 1.00 51.02 C ATOM 620 O SER A 41 24.262 3.401 -6.455 1.00 72.24 O ATOM 621 CB SER A 41 26.672 3.368 -4.808 1.00 14.15 C ATOM 622 OG SER A 41 27.697 3.621 -3.863 1.00 0.51 O ATOM 0 H SER A 41 24.872 3.781 -2.691 1.00 64.31 H new ATOM 0 HA SER A 41 25.736 5.283 -5.089 1.00 61.44 H new ATOM 0 HB2 SER A 41 26.325 2.340 -4.706 1.00 14.15 H new ATOM 0 HB3 SER A 41 27.070 3.472 -5.817 1.00 14.15 H new ATOM 0 HG SER A 41 27.412 3.306 -2.980 1.00 0.51 H new ATOM 628 N SER A 42 23.163 3.681 -4.512 1.00 32.22 N ATOM 629 CA SER A 42 21.903 3.151 -5.021 1.00 41.52 C ATOM 630 C SER A 42 20.719 3.741 -4.261 1.00 21.23 C ATOM 631 O SER A 42 20.847 4.141 -3.104 1.00 64.01 O ATOM 632 CB SER A 42 21.885 1.626 -4.912 1.00 64.41 C ATOM 633 OG SER A 42 20.576 1.116 -5.097 1.00 11.33 O ATOM 0 H SER A 42 23.132 3.977 -3.536 1.00 32.22 H new ATOM 0 HA SER A 42 21.816 3.434 -6.070 1.00 41.52 H new ATOM 0 HB2 SER A 42 22.554 1.197 -5.658 1.00 64.41 H new ATOM 0 HB3 SER A 42 22.261 1.324 -3.935 1.00 64.41 H new ATOM 0 HG SER A 42 20.592 0.139 -5.024 1.00 11.33 H new ATOM 639 N ALA A 43 19.566 3.791 -4.920 1.00 22.30 N ATOM 640 CA ALA A 43 18.358 4.329 -4.307 1.00 23.22 C ATOM 641 C ALA A 43 17.168 4.225 -5.255 1.00 23.34 C ATOM 642 O ALA A 43 17.113 4.912 -6.275 1.00 22.33 O ATOM 643 CB ALA A 43 18.578 5.775 -3.889 1.00 52.42 C ATOM 0 H ALA A 43 19.443 3.465 -5.879 1.00 22.30 H new ATOM 0 HA ALA A 43 18.135 3.736 -3.420 1.00 23.22 H new ATOM 0 HB1 ALA A 43 17.668 6.164 -3.433 1.00 52.42 H new ATOM 0 HB2 ALA A 43 19.395 5.825 -3.169 1.00 52.42 H new ATOM 0 HB3 ALA A 43 18.829 6.373 -4.765 1.00 52.42 H new ATOM 649 N ARG A 44 16.218 3.361 -4.912 1.00 22.05 N ATOM 650 CA ARG A 44 15.030 3.166 -5.733 1.00 60.14 C ATOM 651 C ARG A 44 13.786 3.695 -5.025 1.00 62.03 C ATOM 652 O ARG A 44 13.701 3.673 -3.797 1.00 63.24 O ATOM 653 CB ARG A 44 14.850 1.683 -6.063 1.00 60.05 C ATOM 654 CG ARG A 44 13.556 1.375 -6.799 1.00 41.52 C ATOM 655 CD ARG A 44 12.469 0.909 -5.844 1.00 21.15 C ATOM 656 NE ARG A 44 11.214 0.631 -6.536 1.00 71.51 N ATOM 657 CZ ARG A 44 11.003 -0.459 -7.266 1.00 21.22 C ATOM 658 NH1 ARG A 44 11.959 -1.368 -7.397 1.00 62.40 N ATOM 659 NH2 ARG A 44 9.834 -0.642 -7.866 1.00 13.43 N ATOM 0 H ARG A 44 16.248 2.785 -4.071 1.00 22.05 H new ATOM 0 HA ARG A 44 15.164 3.724 -6.660 1.00 60.14 H new ATOM 0 HB2 ARG A 44 15.692 1.350 -6.670 1.00 60.05 H new ATOM 0 HB3 ARG A 44 14.877 1.108 -5.138 1.00 60.05 H new ATOM 0 HG2 ARG A 44 13.218 2.265 -7.330 1.00 41.52 H new ATOM 0 HG3 ARG A 44 13.737 0.605 -7.549 1.00 41.52 H new ATOM 0 HD2 ARG A 44 12.803 0.011 -5.325 1.00 21.15 H new ATOM 0 HD3 ARG A 44 12.302 1.673 -5.084 1.00 21.15 H new ATOM 0 HE ARG A 44 10.458 1.311 -6.455 1.00 71.51 H new ATOM 0 HH11 ARG A 44 12.859 -1.232 -6.937 1.00 62.40 H new ATOM 0 HH12 ARG A 44 11.795 -2.204 -7.958 1.00 62.40 H new ATOM 0 HH21 ARG A 44 9.096 0.055 -7.767 1.00 13.43 H new ATOM 0 HH22 ARG A 44 9.674 -1.479 -8.426 1.00 13.43 H new ATOM 673 N VAL A 45 12.823 4.171 -5.808 1.00 42.13 N ATOM 674 CA VAL A 45 11.584 4.705 -5.257 1.00 12.51 C ATOM 675 C VAL A 45 10.369 4.123 -5.971 1.00 11.44 C ATOM 676 O VAL A 45 10.407 3.814 -7.162 1.00 13.23 O ATOM 677 CB VAL A 45 11.540 6.242 -5.361 1.00 35.51 C ATOM 678 CG1 VAL A 45 12.728 6.860 -4.640 1.00 53.24 C ATOM 679 CG2 VAL A 45 11.504 6.676 -6.818 1.00 64.45 C ATOM 0 H VAL A 45 12.878 4.198 -6.826 1.00 42.13 H new ATOM 0 HA VAL A 45 11.556 4.418 -4.206 1.00 12.51 H new ATOM 0 HB VAL A 45 10.629 6.596 -4.878 1.00 35.51 H new ATOM 0 HG11 VAL A 45 12.680 7.946 -4.724 1.00 53.24 H new ATOM 0 HG12 VAL A 45 12.703 6.576 -3.588 1.00 53.24 H new ATOM 0 HG13 VAL A 45 13.654 6.502 -5.091 1.00 53.24 H new ATOM 0 HG21 VAL A 45 11.473 7.764 -6.873 1.00 64.45 H new ATOM 0 HG22 VAL A 45 12.396 6.312 -7.328 1.00 64.45 H new ATOM 0 HG23 VAL A 45 10.617 6.263 -7.299 1.00 64.45 H new ATOM 689 N PRO A 46 9.263 3.970 -5.227 1.00 41.11 N ATOM 690 CA PRO A 46 8.015 3.425 -5.768 1.00 54.13 C ATOM 691 C PRO A 46 7.342 4.380 -6.748 1.00 53.31 C ATOM 692 O PRO A 46 7.811 5.498 -6.961 1.00 50.13 O ATOM 693 CB PRO A 46 7.143 3.233 -4.525 1.00 31.12 C ATOM 694 CG PRO A 46 7.669 4.217 -3.537 1.00 64.55 C ATOM 695 CD PRO A 46 9.146 4.317 -3.801 1.00 4.51 C ATOM 0 HA PRO A 46 8.182 2.508 -6.334 1.00 54.13 H new ATOM 0 HB2 PRO A 46 6.092 3.418 -4.747 1.00 31.12 H new ATOM 0 HB3 PRO A 46 7.214 2.214 -4.145 1.00 31.12 H new ATOM 0 HG2 PRO A 46 7.185 5.186 -3.655 1.00 64.55 H new ATOM 0 HG3 PRO A 46 7.476 3.887 -2.516 1.00 64.55 H new ATOM 0 HD2 PRO A 46 9.523 5.320 -3.599 1.00 4.51 H new ATOM 0 HD3 PRO A 46 9.714 3.631 -3.173 1.00 4.51 H new ATOM 703 N SER A 47 6.240 3.933 -7.341 1.00 75.03 N ATOM 704 CA SER A 47 5.504 4.747 -8.301 1.00 52.44 C ATOM 705 C SER A 47 4.637 5.780 -7.587 1.00 23.14 C ATOM 706 O SER A 47 3.688 5.432 -6.886 1.00 21.13 O ATOM 707 CB SER A 47 4.631 3.861 -9.191 1.00 72.53 C ATOM 708 OG SER A 47 5.254 2.611 -9.434 1.00 40.34 O ATOM 0 H SER A 47 5.837 3.011 -7.173 1.00 75.03 H new ATOM 0 HA SER A 47 6.228 5.273 -8.923 1.00 52.44 H new ATOM 0 HB2 SER A 47 3.664 3.702 -8.714 1.00 72.53 H new ATOM 0 HB3 SER A 47 4.441 4.366 -10.138 1.00 72.53 H new ATOM 0 HG SER A 47 4.675 2.062 -10.004 1.00 40.34 H new ATOM 714 N GLY A 48 4.972 7.054 -7.770 1.00 64.51 N ATOM 715 CA GLY A 48 4.216 8.118 -7.137 1.00 2.10 C ATOM 716 C GLY A 48 4.939 8.714 -5.945 1.00 64.53 C ATOM 717 O GLY A 48 4.317 9.056 -4.939 1.00 53.44 O ATOM 0 H GLY A 48 5.754 7.368 -8.345 1.00 64.51 H new ATOM 0 HA2 GLY A 48 4.018 8.903 -7.867 1.00 2.10 H new ATOM 0 HA3 GLY A 48 3.249 7.731 -6.815 1.00 2.10 H new ATOM 721 N LEU A 49 6.258 8.836 -6.056 1.00 74.21 N ATOM 722 CA LEU A 49 7.068 9.393 -4.978 1.00 74.41 C ATOM 723 C LEU A 49 8.069 10.409 -5.518 1.00 73.33 C ATOM 724 O LEU A 49 8.752 10.155 -6.511 1.00 33.25 O ATOM 725 CB LEU A 49 7.806 8.275 -4.239 1.00 40.21 C ATOM 726 CG LEU A 49 8.036 8.497 -2.744 1.00 10.22 C ATOM 727 CD1 LEU A 49 7.990 7.175 -1.994 1.00 75.35 C ATOM 728 CD2 LEU A 49 9.365 9.200 -2.507 1.00 52.02 C ATOM 0 H LEU A 49 6.789 8.557 -6.881 1.00 74.21 H new ATOM 0 HA LEU A 49 6.402 9.903 -4.282 1.00 74.41 H new ATOM 0 HB2 LEU A 49 7.244 7.350 -4.366 1.00 40.21 H new ATOM 0 HB3 LEU A 49 8.774 8.128 -4.717 1.00 40.21 H new ATOM 0 HG LEU A 49 7.237 9.134 -2.365 1.00 10.22 H new ATOM 0 HD11 LEU A 49 8.156 7.353 -0.932 1.00 75.35 H new ATOM 0 HD12 LEU A 49 7.014 6.710 -2.136 1.00 75.35 H new ATOM 0 HD13 LEU A 49 8.767 6.513 -2.376 1.00 75.35 H new ATOM 0 HD21 LEU A 49 9.512 9.350 -1.437 1.00 52.02 H new ATOM 0 HD22 LEU A 49 10.176 8.588 -2.902 1.00 52.02 H new ATOM 0 HD23 LEU A 49 9.360 10.166 -3.011 1.00 52.02 H new ATOM 740 N ARG A 50 8.152 11.559 -4.858 1.00 35.25 N ATOM 741 CA ARG A 50 9.070 12.613 -5.271 1.00 21.12 C ATOM 742 C ARG A 50 10.167 12.817 -4.230 1.00 64.42 C ATOM 743 O ARG A 50 9.899 12.852 -3.028 1.00 65.14 O ATOM 744 CB ARG A 50 8.311 13.923 -5.490 1.00 61.13 C ATOM 745 CG ARG A 50 9.186 15.055 -6.004 1.00 31.14 C ATOM 746 CD ARG A 50 8.369 16.094 -6.756 1.00 35.35 C ATOM 747 NE ARG A 50 9.209 16.967 -7.569 1.00 43.45 N ATOM 748 CZ ARG A 50 8.793 18.121 -8.081 1.00 33.54 C ATOM 749 NH1 ARG A 50 7.553 18.537 -7.862 1.00 71.35 N ATOM 750 NH2 ARG A 50 9.617 18.860 -8.811 1.00 42.22 N ATOM 0 H ARG A 50 7.594 11.785 -4.034 1.00 35.25 H new ATOM 0 HA ARG A 50 9.534 12.309 -6.209 1.00 21.12 H new ATOM 0 HB2 ARG A 50 7.502 13.750 -6.199 1.00 61.13 H new ATOM 0 HB3 ARG A 50 7.851 14.228 -4.550 1.00 61.13 H new ATOM 0 HG2 ARG A 50 9.698 15.529 -5.167 1.00 31.14 H new ATOM 0 HG3 ARG A 50 9.956 14.651 -6.661 1.00 31.14 H new ATOM 0 HD2 ARG A 50 7.643 15.591 -7.395 1.00 35.35 H new ATOM 0 HD3 ARG A 50 7.804 16.695 -6.044 1.00 35.35 H new ATOM 0 HE ARG A 50 10.169 16.676 -7.755 1.00 43.45 H new ATOM 0 HH11 ARG A 50 6.917 17.971 -7.300 1.00 71.35 H new ATOM 0 HH12 ARG A 50 7.235 19.423 -8.256 1.00 71.35 H new ATOM 0 HH21 ARG A 50 10.572 18.543 -8.980 1.00 42.22 H new ATOM 0 HH22 ARG A 50 9.296 19.745 -9.203 1.00 42.22 H new ATOM 764 N LEU A 51 11.403 12.950 -4.699 1.00 70.45 N ATOM 765 CA LEU A 51 12.542 13.149 -3.810 1.00 11.40 C ATOM 766 C LEU A 51 13.572 14.079 -4.444 1.00 54.01 C ATOM 767 O LEU A 51 13.648 14.193 -5.667 1.00 10.51 O ATOM 768 CB LEU A 51 13.191 11.806 -3.471 1.00 11.42 C ATOM 769 CG LEU A 51 12.232 10.658 -3.154 1.00 11.40 C ATOM 770 CD1 LEU A 51 11.841 9.923 -4.426 1.00 54.24 C ATOM 771 CD2 LEU A 51 12.860 9.699 -2.153 1.00 41.34 C ATOM 0 H LEU A 51 11.642 12.924 -5.690 1.00 70.45 H new ATOM 0 HA LEU A 51 12.178 13.611 -2.892 1.00 11.40 H new ATOM 0 HB2 LEU A 51 13.819 11.507 -4.310 1.00 11.42 H new ATOM 0 HB3 LEU A 51 13.850 11.949 -2.615 1.00 11.42 H new ATOM 0 HG LEU A 51 11.329 11.076 -2.709 1.00 11.40 H new ATOM 0 HD11 LEU A 51 11.158 9.109 -4.181 1.00 54.24 H new ATOM 0 HD12 LEU A 51 11.350 10.615 -5.110 1.00 54.24 H new ATOM 0 HD13 LEU A 51 12.734 9.517 -4.901 1.00 54.24 H new ATOM 0 HD21 LEU A 51 12.163 8.888 -1.939 1.00 41.34 H new ATOM 0 HD22 LEU A 51 13.779 9.287 -2.571 1.00 41.34 H new ATOM 0 HD23 LEU A 51 13.088 10.234 -1.231 1.00 41.34 H new ATOM 783 N GLU A 52 14.363 14.739 -3.604 1.00 35.13 N ATOM 784 CA GLU A 52 15.389 15.657 -4.083 1.00 54.33 C ATOM 785 C GLU A 52 16.710 15.424 -3.357 1.00 1.14 C ATOM 786 O GLU A 52 16.789 15.545 -2.134 1.00 40.40 O ATOM 787 CB GLU A 52 14.937 17.107 -3.891 1.00 63.35 C ATOM 788 CG GLU A 52 13.615 17.427 -4.568 1.00 42.12 C ATOM 789 CD GLU A 52 13.461 18.903 -4.879 1.00 4.45 C ATOM 790 OE1 GLU A 52 14.495 19.583 -5.055 1.00 75.40 O ATOM 791 OE2 GLU A 52 12.309 19.379 -4.945 1.00 11.55 O ATOM 0 H GLU A 52 14.313 14.655 -2.589 1.00 35.13 H new ATOM 0 HA GLU A 52 15.541 15.469 -5.146 1.00 54.33 H new ATOM 0 HB2 GLU A 52 14.849 17.313 -2.824 1.00 63.35 H new ATOM 0 HB3 GLU A 52 15.706 17.773 -4.282 1.00 63.35 H new ATOM 0 HG2 GLU A 52 13.537 16.855 -5.492 1.00 42.12 H new ATOM 0 HG3 GLU A 52 12.795 17.108 -3.925 1.00 42.12 H new ATOM 798 N VAL A 53 17.746 15.088 -4.118 1.00 63.03 N ATOM 799 CA VAL A 53 19.065 14.838 -3.548 1.00 71.04 C ATOM 800 C VAL A 53 19.885 16.121 -3.478 1.00 64.12 C ATOM 801 O VAL A 53 20.148 16.759 -4.498 1.00 1.34 O ATOM 802 CB VAL A 53 19.841 13.790 -4.368 1.00 32.44 C ATOM 803 CG1 VAL A 53 21.130 13.405 -3.658 1.00 62.23 C ATOM 804 CG2 VAL A 53 18.975 12.564 -4.620 1.00 4.20 C ATOM 0 H VAL A 53 17.698 14.982 -5.131 1.00 63.03 H new ATOM 0 HA VAL A 53 18.907 14.455 -2.540 1.00 71.04 H new ATOM 0 HB VAL A 53 20.102 14.227 -5.332 1.00 32.44 H new ATOM 0 HG11 VAL A 53 21.665 12.664 -4.252 1.00 62.23 H new ATOM 0 HG12 VAL A 53 21.755 14.289 -3.533 1.00 62.23 H new ATOM 0 HG13 VAL A 53 20.895 12.985 -2.680 1.00 62.23 H new ATOM 0 HG21 VAL A 53 19.539 11.834 -5.201 1.00 4.20 H new ATOM 0 HG22 VAL A 53 18.683 12.123 -3.667 1.00 4.20 H new ATOM 0 HG23 VAL A 53 18.082 12.856 -5.173 1.00 4.20 H new ATOM 814 N PHE A 54 20.288 16.493 -2.268 1.00 5.41 N ATOM 815 CA PHE A 54 21.080 17.701 -2.064 1.00 14.34 C ATOM 816 C PHE A 54 22.509 17.353 -1.659 1.00 10.25 C ATOM 817 O PHE A 54 22.804 17.178 -0.477 1.00 21.22 O ATOM 818 CB PHE A 54 20.435 18.584 -0.993 1.00 74.11 C ATOM 819 CG PHE A 54 18.950 18.740 -1.160 1.00 1.44 C ATOM 820 CD1 PHE A 54 18.404 19.006 -2.405 1.00 35.42 C ATOM 821 CD2 PHE A 54 18.101 18.623 -0.071 1.00 24.32 C ATOM 822 CE1 PHE A 54 17.038 19.150 -2.562 1.00 32.23 C ATOM 823 CE2 PHE A 54 16.735 18.765 -0.222 1.00 10.54 C ATOM 824 CZ PHE A 54 16.203 19.031 -1.468 1.00 74.42 C ATOM 0 H PHE A 54 20.080 15.976 -1.414 1.00 5.41 H new ATOM 0 HA PHE A 54 21.111 18.248 -3.006 1.00 14.34 H new ATOM 0 HB2 PHE A 54 20.639 18.158 -0.011 1.00 74.11 H new ATOM 0 HB3 PHE A 54 20.901 19.569 -1.017 1.00 74.11 H new ATOM 0 HD1 PHE A 54 19.053 19.102 -3.263 1.00 35.42 H new ATOM 0 HD2 PHE A 54 18.512 18.419 0.907 1.00 24.32 H new ATOM 0 HE1 PHE A 54 16.624 19.355 -3.538 1.00 32.23 H new ATOM 0 HE2 PHE A 54 16.084 18.668 0.634 1.00 10.54 H new ATOM 0 HZ PHE A 54 15.136 19.146 -1.587 1.00 74.42 H new ATOM 834 N GLN A 55 23.391 17.255 -2.648 1.00 72.31 N ATOM 835 CA GLN A 55 24.789 16.926 -2.395 1.00 13.30 C ATOM 836 C GLN A 55 25.402 17.896 -1.390 1.00 64.14 C ATOM 837 O GLN A 55 26.065 17.483 -0.438 1.00 33.41 O ATOM 838 CB GLN A 55 25.585 16.954 -3.700 1.00 64.15 C ATOM 839 CG GLN A 55 25.420 18.244 -4.487 1.00 3.42 C ATOM 840 CD GLN A 55 26.035 18.167 -5.871 1.00 13.34 C ATOM 841 OE1 GLN A 55 25.861 17.180 -6.586 1.00 15.13 O ATOM 842 NE2 GLN A 55 26.759 19.212 -6.256 1.00 72.51 N ATOM 0 H GLN A 55 23.163 17.399 -3.632 1.00 72.31 H new ATOM 0 HA GLN A 55 24.830 15.921 -1.975 1.00 13.30 H new ATOM 0 HB2 GLN A 55 26.641 16.809 -3.474 1.00 64.15 H new ATOM 0 HB3 GLN A 55 25.274 16.116 -4.323 1.00 64.15 H new ATOM 0 HG2 GLN A 55 24.359 18.476 -4.578 1.00 3.42 H new ATOM 0 HG3 GLN A 55 25.880 19.063 -3.934 1.00 3.42 H new ATOM 0 HE21 GLN A 55 26.877 20.009 -5.631 1.00 72.51 H new ATOM 0 HE22 GLN A 55 27.197 19.217 -7.177 1.00 72.51 H new ATOM 851 N HIS A 56 25.178 19.188 -1.609 1.00 64.23 N ATOM 852 CA HIS A 56 25.709 20.217 -0.722 1.00 65.25 C ATOM 853 C HIS A 56 24.852 20.348 0.533 1.00 61.43 C ATOM 854 O HIS A 56 23.816 19.696 0.659 1.00 43.10 O ATOM 855 CB HIS A 56 25.779 21.560 -1.449 1.00 55.23 C ATOM 856 CG HIS A 56 27.144 21.891 -1.967 1.00 42.44 C ATOM 857 ND1 HIS A 56 28.272 21.888 -1.173 1.00 55.53 N ATOM 858 CD2 HIS A 56 27.561 22.235 -3.208 1.00 51.54 C ATOM 859 CE1 HIS A 56 29.322 22.218 -1.903 1.00 42.21 C ATOM 860 NE2 HIS A 56 28.918 22.433 -3.142 1.00 41.40 N ATOM 0 H HIS A 56 24.633 19.547 -2.393 1.00 64.23 H new ATOM 0 HA HIS A 56 26.715 19.921 -0.424 1.00 65.25 H new ATOM 0 HB2 HIS A 56 25.076 21.550 -2.282 1.00 55.23 H new ATOM 0 HB3 HIS A 56 25.456 22.349 -0.769 1.00 55.23 H new ATOM 0 HD2 HIS A 56 26.941 22.335 -4.087 1.00 51.54 H new ATOM 0 HE1 HIS A 56 30.339 22.298 -1.547 1.00 42.21 H new ATOM 0 HE2 HIS A 56 29.517 22.702 -3.923 1.00 41.40 H new ATOM 868 N ASN A 57 25.292 21.194 1.459 1.00 61.44 N ATOM 869 CA ASN A 57 24.565 21.409 2.705 1.00 65.43 C ATOM 870 C ASN A 57 23.078 21.617 2.438 1.00 51.31 C ATOM 871 O ASN A 57 22.671 21.887 1.309 1.00 65.15 O ATOM 872 CB ASN A 57 25.136 22.617 3.450 1.00 31.10 C ATOM 873 CG ASN A 57 26.015 22.214 4.618 1.00 33.53 C ATOM 874 OD1 ASN A 57 25.526 21.965 5.720 1.00 33.24 O ATOM 875 ND2 ASN A 57 27.320 22.147 4.382 1.00 53.35 N ATOM 0 H ASN A 57 26.148 21.742 1.370 1.00 61.44 H new ATOM 0 HA ASN A 57 24.683 20.520 3.324 1.00 65.43 H new ATOM 0 HB2 ASN A 57 25.715 23.227 2.757 1.00 31.10 H new ATOM 0 HB3 ASN A 57 24.316 23.237 3.813 1.00 31.10 H new ATOM 0 HD21 ASN A 57 27.960 21.881 5.130 1.00 53.35 H new ATOM 0 HD22 ASN A 57 27.682 22.362 3.453 1.00 53.35 H new ATOM 882 N ASN A 58 22.271 21.491 3.486 1.00 11.14 N ATOM 883 CA ASN A 58 20.828 21.666 3.366 1.00 60.04 C ATOM 884 C ASN A 58 20.497 22.927 2.574 1.00 43.43 C ATOM 885 O ASN A 58 20.592 24.041 3.091 1.00 62.34 O ATOM 886 CB ASN A 58 20.184 21.737 4.752 1.00 42.22 C ATOM 887 CG ASN A 58 18.682 21.533 4.703 1.00 63.11 C ATOM 888 OD1 ASN A 58 18.203 20.430 4.439 1.00 10.02 O ATOM 889 ND2 ASN A 58 17.932 22.599 4.957 1.00 31.54 N ATOM 0 H ASN A 58 22.592 21.268 4.428 1.00 11.14 H new ATOM 0 HA ASN A 58 20.427 20.806 2.830 1.00 60.04 H new ATOM 0 HB2 ASN A 58 20.630 20.979 5.396 1.00 42.22 H new ATOM 0 HB3 ASN A 58 20.402 22.706 5.202 1.00 42.22 H new ATOM 0 HD21 ASN A 58 16.915 22.523 4.938 1.00 31.54 H new ATOM 0 HD22 ASN A 58 18.373 23.493 5.171 1.00 31.54 H new ATOM 896 N PHE A 59 20.108 22.745 1.316 1.00 20.22 N ATOM 897 CA PHE A 59 19.763 23.868 0.452 1.00 23.30 C ATOM 898 C PHE A 59 20.845 24.943 0.500 1.00 71.12 C ATOM 899 O PHE A 59 20.568 26.106 0.793 1.00 2.15 O ATOM 900 CB PHE A 59 18.417 24.464 0.868 1.00 71.03 C ATOM 901 CG PHE A 59 17.251 23.553 0.606 1.00 5.30 C ATOM 902 CD1 PHE A 59 17.065 22.409 1.365 1.00 42.20 C ATOM 903 CD2 PHE A 59 16.343 23.841 -0.399 1.00 55.14 C ATOM 904 CE1 PHE A 59 15.994 21.569 1.127 1.00 13.11 C ATOM 905 CE2 PHE A 59 15.269 23.005 -0.642 1.00 10.13 C ATOM 906 CZ PHE A 59 15.095 21.867 0.122 1.00 50.14 C ATOM 0 H PHE A 59 20.024 21.830 0.872 1.00 20.22 H new ATOM 0 HA PHE A 59 19.688 23.498 -0.571 1.00 23.30 H new ATOM 0 HB2 PHE A 59 18.448 24.705 1.931 1.00 71.03 H new ATOM 0 HB3 PHE A 59 18.263 25.401 0.333 1.00 71.03 H new ATOM 0 HD1 PHE A 59 17.765 22.171 2.152 1.00 42.20 H new ATOM 0 HD2 PHE A 59 16.475 24.729 -1.000 1.00 55.14 H new ATOM 0 HE1 PHE A 59 15.860 20.681 1.726 1.00 13.11 H new ATOM 0 HE2 PHE A 59 14.567 23.241 -1.428 1.00 10.13 H new ATOM 0 HZ PHE A 59 14.257 21.212 -0.066 1.00 50.14 H new ATOM 916 N LYS A 60 22.079 24.545 0.209 1.00 0.33 N ATOM 917 CA LYS A 60 23.204 25.473 0.218 1.00 61.33 C ATOM 918 C LYS A 60 23.820 25.593 -1.172 1.00 42.44 C ATOM 919 O LYS A 60 24.305 26.657 -1.557 1.00 70.40 O ATOM 920 CB LYS A 60 24.265 25.011 1.219 1.00 21.40 C ATOM 921 CG LYS A 60 25.567 25.788 1.128 1.00 32.10 C ATOM 922 CD LYS A 60 26.559 25.108 0.199 1.00 33.24 C ATOM 923 CE LYS A 60 27.994 25.442 0.575 1.00 0.53 C ATOM 924 NZ LYS A 60 28.569 26.493 -0.310 1.00 71.43 N ATOM 0 H LYS A 60 22.325 23.586 -0.036 1.00 0.33 H new ATOM 0 HA LYS A 60 22.832 26.453 0.518 1.00 61.33 H new ATOM 0 HB2 LYS A 60 23.865 25.105 2.229 1.00 21.40 H new ATOM 0 HB3 LYS A 60 24.471 23.953 1.055 1.00 21.40 H new ATOM 0 HG2 LYS A 60 25.365 26.797 0.770 1.00 32.10 H new ATOM 0 HG3 LYS A 60 26.005 25.884 2.122 1.00 32.10 H new ATOM 0 HD2 LYS A 60 26.414 24.028 0.237 1.00 33.24 H new ATOM 0 HD3 LYS A 60 26.369 25.419 -0.828 1.00 33.24 H new ATOM 0 HE2 LYS A 60 28.029 25.780 1.611 1.00 0.53 H new ATOM 0 HE3 LYS A 60 28.605 24.541 0.513 1.00 0.53 H new ATOM 0 HZ1 LYS A 60 29.548 26.692 -0.021 1.00 71.43 H new ATOM 0 HZ2 LYS A 60 28.559 26.160 -1.295 1.00 71.43 H new ATOM 0 HZ3 LYS A 60 28.002 27.361 -0.232 1.00 71.43 H new ATOM 938 N GLY A 61 23.796 24.496 -1.923 1.00 23.11 N ATOM 939 CA GLY A 61 24.354 24.501 -3.263 1.00 3.15 C ATOM 940 C GLY A 61 23.332 24.129 -4.318 1.00 31.11 C ATOM 941 O GLY A 61 22.327 24.819 -4.490 1.00 31.22 O ATOM 0 H GLY A 61 23.400 23.604 -1.627 1.00 23.11 H new ATOM 0 HA2 GLY A 61 24.755 25.491 -3.483 1.00 3.15 H new ATOM 0 HA3 GLY A 61 25.189 23.802 -3.308 1.00 3.15 H new ATOM 945 N VAL A 62 23.589 23.035 -5.029 1.00 14.42 N ATOM 946 CA VAL A 62 22.683 22.573 -6.074 1.00 21.23 C ATOM 947 C VAL A 62 21.700 21.541 -5.532 1.00 1.00 C ATOM 948 O VAL A 62 22.019 20.788 -4.612 1.00 2.03 O ATOM 949 CB VAL A 62 23.457 21.958 -7.255 1.00 72.20 C ATOM 950 CG1 VAL A 62 24.468 22.951 -7.807 1.00 13.53 C ATOM 951 CG2 VAL A 62 24.142 20.668 -6.829 1.00 3.41 C ATOM 0 H VAL A 62 24.417 22.453 -4.900 1.00 14.42 H new ATOM 0 HA VAL A 62 22.132 23.446 -6.425 1.00 21.23 H new ATOM 0 HB VAL A 62 22.747 21.721 -8.048 1.00 72.20 H new ATOM 0 HG11 VAL A 62 25.005 22.498 -8.641 1.00 13.53 H new ATOM 0 HG12 VAL A 62 23.949 23.845 -8.152 1.00 13.53 H new ATOM 0 HG13 VAL A 62 25.176 23.223 -7.024 1.00 13.53 H new ATOM 0 HG21 VAL A 62 24.684 20.247 -7.676 1.00 3.41 H new ATOM 0 HG22 VAL A 62 24.840 20.877 -6.019 1.00 3.41 H new ATOM 0 HG23 VAL A 62 23.393 19.954 -6.487 1.00 3.41 H new ATOM 961 N ARG A 63 20.503 21.512 -6.109 1.00 64.23 N ATOM 962 CA ARG A 63 19.473 20.573 -5.684 1.00 33.51 C ATOM 963 C ARG A 63 19.131 19.596 -6.805 1.00 71.14 C ATOM 964 O ARG A 63 18.975 19.992 -7.961 1.00 33.33 O ATOM 965 CB ARG A 63 18.215 21.326 -5.248 1.00 74.12 C ATOM 966 CG ARG A 63 17.474 21.991 -6.397 1.00 62.31 C ATOM 967 CD ARG A 63 16.653 23.178 -5.918 1.00 64.12 C ATOM 968 NE ARG A 63 17.350 24.445 -6.127 1.00 30.54 N ATOM 969 CZ ARG A 63 17.450 25.042 -7.309 1.00 4.24 C ATOM 970 NH1 ARG A 63 16.902 24.491 -8.383 1.00 13.25 N ATOM 971 NH2 ARG A 63 18.100 26.194 -7.418 1.00 64.21 N ATOM 0 H ARG A 63 20.223 22.128 -6.872 1.00 64.23 H new ATOM 0 HA ARG A 63 19.861 20.006 -4.838 1.00 33.51 H new ATOM 0 HB2 ARG A 63 17.542 20.631 -4.746 1.00 74.12 H new ATOM 0 HB3 ARG A 63 18.492 22.086 -4.517 1.00 74.12 H new ATOM 0 HG2 ARG A 63 18.190 22.322 -7.150 1.00 62.31 H new ATOM 0 HG3 ARG A 63 16.819 21.265 -6.878 1.00 62.31 H new ATOM 0 HD2 ARG A 63 15.700 23.197 -6.447 1.00 64.12 H new ATOM 0 HD3 ARG A 63 16.427 23.059 -4.858 1.00 64.12 H new ATOM 0 HE ARG A 63 17.783 24.896 -5.321 1.00 30.54 H new ATOM 0 HH11 ARG A 63 16.402 23.606 -8.303 1.00 13.25 H new ATOM 0 HH12 ARG A 63 16.981 24.952 -9.289 1.00 13.25 H new ATOM 0 HH21 ARG A 63 18.523 26.621 -6.594 1.00 64.21 H new ATOM 0 HH22 ARG A 63 18.177 26.652 -8.326 1.00 64.21 H new ATOM 985 N ASP A 64 19.017 18.319 -6.457 1.00 11.24 N ATOM 986 CA ASP A 64 18.693 17.286 -7.433 1.00 62.32 C ATOM 987 C ASP A 64 17.245 16.831 -7.283 1.00 53.14 C ATOM 988 O ASP A 64 16.523 17.303 -6.404 1.00 71.55 O ATOM 989 CB ASP A 64 19.635 16.091 -7.274 1.00 72.12 C ATOM 990 CG ASP A 64 20.049 15.499 -8.607 1.00 73.30 C ATOM 991 OD1 ASP A 64 20.938 16.079 -9.264 1.00 42.31 O ATOM 992 OD2 ASP A 64 19.484 14.454 -8.993 1.00 12.14 O ATOM 0 H ASP A 64 19.144 17.975 -5.505 1.00 11.24 H new ATOM 0 HA ASP A 64 18.820 17.710 -8.429 1.00 62.32 H new ATOM 0 HB2 ASP A 64 20.524 16.403 -6.727 1.00 72.12 H new ATOM 0 HB3 ASP A 64 19.145 15.323 -6.675 1.00 72.12 H new ATOM 997 N PHE A 65 16.826 15.913 -8.148 1.00 53.11 N ATOM 998 CA PHE A 65 15.463 15.396 -8.113 1.00 55.15 C ATOM 999 C PHE A 65 15.387 14.017 -8.763 1.00 2.24 C ATOM 1000 O PHE A 65 15.779 13.840 -9.916 1.00 61.22 O ATOM 1001 CB PHE A 65 14.511 16.360 -8.825 1.00 73.11 C ATOM 1002 CG PHE A 65 14.967 16.744 -10.203 1.00 40.54 C ATOM 1003 CD1 PHE A 65 15.860 17.788 -10.386 1.00 11.32 C ATOM 1004 CD2 PHE A 65 14.504 16.062 -11.317 1.00 14.04 C ATOM 1005 CE1 PHE A 65 16.281 18.145 -11.653 1.00 74.41 C ATOM 1006 CE2 PHE A 65 14.921 16.414 -12.586 1.00 62.44 C ATOM 1007 CZ PHE A 65 15.812 17.456 -12.755 1.00 33.33 C ATOM 0 H PHE A 65 17.411 15.512 -8.881 1.00 53.11 H new ATOM 0 HA PHE A 65 15.163 15.304 -7.069 1.00 55.15 H new ATOM 0 HB2 PHE A 65 13.525 15.901 -8.892 1.00 73.11 H new ATOM 0 HB3 PHE A 65 14.402 17.262 -8.222 1.00 73.11 H new ATOM 0 HD1 PHE A 65 16.231 18.329 -9.528 1.00 11.32 H new ATOM 0 HD2 PHE A 65 13.809 15.245 -11.191 1.00 14.04 H new ATOM 0 HE1 PHE A 65 16.976 18.962 -11.782 1.00 74.41 H new ATOM 0 HE2 PHE A 65 14.551 15.875 -13.445 1.00 62.44 H new ATOM 0 HZ PHE A 65 16.141 17.731 -13.746 1.00 33.33 H new ATOM 1017 N TYR A 66 14.882 13.044 -8.013 1.00 55.20 N ATOM 1018 CA TYR A 66 14.757 11.680 -8.513 1.00 42.21 C ATOM 1019 C TYR A 66 13.322 11.179 -8.379 1.00 4.33 C ATOM 1020 O TYR A 66 12.721 11.260 -7.307 1.00 21.41 O ATOM 1021 CB TYR A 66 15.707 10.749 -7.758 1.00 10.13 C ATOM 1022 CG TYR A 66 16.857 10.244 -8.600 1.00 33.02 C ATOM 1023 CD1 TYR A 66 16.628 9.627 -9.824 1.00 3.31 C ATOM 1024 CD2 TYR A 66 18.171 10.382 -8.171 1.00 40.43 C ATOM 1025 CE1 TYR A 66 17.675 9.163 -10.596 1.00 44.55 C ATOM 1026 CE2 TYR A 66 19.224 9.923 -8.938 1.00 4.01 C ATOM 1027 CZ TYR A 66 18.972 9.314 -10.149 1.00 54.25 C ATOM 1028 OH TYR A 66 20.018 8.854 -10.915 1.00 61.14 O ATOM 0 H TYR A 66 14.553 13.174 -7.057 1.00 55.20 H new ATOM 0 HA TYR A 66 15.024 11.682 -9.570 1.00 42.21 H new ATOM 0 HB2 TYR A 66 16.106 11.276 -6.892 1.00 10.13 H new ATOM 0 HB3 TYR A 66 15.143 9.896 -7.380 1.00 10.13 H new ATOM 0 HD1 TYR A 66 15.614 9.508 -10.177 1.00 3.31 H new ATOM 0 HD2 TYR A 66 18.373 10.856 -7.222 1.00 40.43 H new ATOM 0 HE1 TYR A 66 17.480 8.685 -11.544 1.00 44.55 H new ATOM 0 HE2 TYR A 66 20.240 10.041 -8.591 1.00 4.01 H new ATOM 0 HH TYR A 66 20.685 8.430 -10.336 1.00 61.14 H new ATOM 1038 N THR A 67 12.778 10.661 -9.475 1.00 62.14 N ATOM 1039 CA THR A 67 11.415 10.147 -9.482 1.00 75.14 C ATOM 1040 C THR A 67 11.348 8.774 -10.141 1.00 31.30 C ATOM 1041 O THR A 67 10.374 8.447 -10.819 1.00 62.25 O ATOM 1042 CB THR A 67 10.457 11.104 -10.218 1.00 63.51 C ATOM 1043 OG1 THR A 67 10.842 11.220 -11.593 1.00 34.34 O ATOM 1044 CG2 THR A 67 10.461 12.479 -9.567 1.00 74.53 C ATOM 0 H THR A 67 13.261 10.586 -10.370 1.00 62.14 H new ATOM 0 HA THR A 67 11.104 10.063 -8.441 1.00 75.14 H new ATOM 0 HB THR A 67 9.449 10.693 -10.157 1.00 63.51 H new ATOM 0 HG1 THR A 67 10.228 11.828 -12.055 1.00 34.34 H new ATOM 0 HG21 THR A 67 9.778 13.137 -10.103 1.00 74.53 H new ATOM 0 HG22 THR A 67 10.140 12.391 -8.529 1.00 74.53 H new ATOM 0 HG23 THR A 67 11.468 12.895 -9.602 1.00 74.53 H new ATOM 1052 N SER A 68 12.389 7.973 -9.936 1.00 32.00 N ATOM 1053 CA SER A 68 12.449 6.635 -10.513 1.00 5.21 C ATOM 1054 C SER A 68 13.644 5.861 -9.964 1.00 60.45 C ATOM 1055 O SER A 68 14.485 6.415 -9.257 1.00 24.11 O ATOM 1056 CB SER A 68 12.538 6.718 -12.038 1.00 54.00 C ATOM 1057 OG SER A 68 12.161 5.491 -12.638 1.00 72.11 O ATOM 0 H SER A 68 13.202 8.227 -9.375 1.00 32.00 H new ATOM 0 HA SER A 68 11.537 6.105 -10.238 1.00 5.21 H new ATOM 0 HB2 SER A 68 11.892 7.517 -12.400 1.00 54.00 H new ATOM 0 HB3 SER A 68 13.556 6.973 -12.333 1.00 54.00 H new ATOM 0 HG SER A 68 12.225 5.570 -13.613 1.00 72.11 H new ATOM 1063 N ASP A 69 13.711 4.576 -10.296 1.00 52.13 N ATOM 1064 CA ASP A 69 14.802 3.724 -9.839 1.00 21.13 C ATOM 1065 C ASP A 69 16.154 4.354 -10.158 1.00 2.34 C ATOM 1066 O ASP A 69 16.453 4.654 -11.313 1.00 41.11 O ATOM 1067 CB ASP A 69 14.704 2.342 -10.486 1.00 63.23 C ATOM 1068 CG ASP A 69 13.292 1.792 -10.466 1.00 72.51 C ATOM 1069 OD1 ASP A 69 12.440 2.316 -11.214 1.00 14.03 O ATOM 1070 OD2 ASP A 69 13.039 0.836 -9.703 1.00 73.14 O ATOM 0 H ASP A 69 13.022 4.102 -10.880 1.00 52.13 H new ATOM 0 HA ASP A 69 14.718 3.617 -8.758 1.00 21.13 H new ATOM 0 HB2 ASP A 69 15.053 2.401 -11.517 1.00 63.23 H new ATOM 0 HB3 ASP A 69 15.367 1.652 -9.964 1.00 63.23 H new ATOM 1075 N ALA A 70 16.967 4.553 -9.125 1.00 51.30 N ATOM 1076 CA ALA A 70 18.287 5.147 -9.295 1.00 41.14 C ATOM 1077 C ALA A 70 19.383 4.184 -8.852 1.00 4.30 C ATOM 1078 O ALA A 70 19.614 3.999 -7.657 1.00 51.05 O ATOM 1079 CB ALA A 70 18.383 6.452 -8.520 1.00 12.44 C ATOM 0 H ALA A 70 16.734 4.311 -8.162 1.00 51.30 H new ATOM 0 HA ALA A 70 18.430 5.356 -10.355 1.00 41.14 H new ATOM 0 HB1 ALA A 70 19.374 6.884 -8.656 1.00 12.44 H new ATOM 0 HB2 ALA A 70 17.630 7.149 -8.887 1.00 12.44 H new ATOM 0 HB3 ALA A 70 18.214 6.259 -7.461 1.00 12.44 H new ATOM 1085 N ALA A 71 20.056 3.573 -9.822 1.00 11.50 N ATOM 1086 CA ALA A 71 21.129 2.631 -9.531 1.00 72.30 C ATOM 1087 C ALA A 71 22.412 3.360 -9.147 1.00 54.31 C ATOM 1088 O ALA A 71 23.414 2.733 -8.806 1.00 41.43 O ATOM 1089 CB ALA A 71 21.373 1.724 -10.728 1.00 23.42 C ATOM 0 H ALA A 71 19.877 3.714 -10.816 1.00 11.50 H new ATOM 0 HA ALA A 71 20.822 2.020 -8.682 1.00 72.30 H new ATOM 0 HB1 ALA A 71 22.177 1.025 -10.497 1.00 23.42 H new ATOM 0 HB2 ALA A 71 20.463 1.168 -10.955 1.00 23.42 H new ATOM 0 HB3 ALA A 71 21.654 2.328 -11.591 1.00 23.42 H new ATOM 1095 N GLU A 72 22.372 4.688 -9.206 1.00 22.24 N ATOM 1096 CA GLU A 72 23.533 5.502 -8.865 1.00 63.41 C ATOM 1097 C GLU A 72 23.104 6.857 -8.310 1.00 21.43 C ATOM 1098 O GLU A 72 22.203 7.503 -8.845 1.00 75.35 O ATOM 1099 CB GLU A 72 24.423 5.700 -10.094 1.00 54.52 C ATOM 1100 CG GLU A 72 25.762 4.990 -9.997 1.00 44.25 C ATOM 1101 CD GLU A 72 26.740 5.441 -11.066 1.00 31.44 C ATOM 1102 OE1 GLU A 72 26.299 6.089 -12.037 1.00 55.24 O ATOM 1103 OE2 GLU A 72 27.945 5.145 -10.930 1.00 64.22 O ATOM 0 H GLU A 72 21.549 5.222 -9.486 1.00 22.24 H new ATOM 0 HA GLU A 72 24.099 4.977 -8.096 1.00 63.41 H new ATOM 0 HB2 GLU A 72 23.894 5.341 -10.977 1.00 54.52 H new ATOM 0 HB3 GLU A 72 24.596 6.766 -10.238 1.00 54.52 H new ATOM 0 HG2 GLU A 72 26.195 5.172 -9.013 1.00 44.25 H new ATOM 0 HG3 GLU A 72 25.606 3.915 -10.083 1.00 44.25 H new ATOM 1110 N LEU A 73 23.755 7.281 -7.232 1.00 62.43 N ATOM 1111 CA LEU A 73 23.442 8.559 -6.602 1.00 73.45 C ATOM 1112 C LEU A 73 23.439 9.686 -7.630 1.00 5.01 C ATOM 1113 O LEU A 73 24.031 9.563 -8.702 1.00 45.32 O ATOM 1114 CB LEU A 73 24.451 8.865 -5.495 1.00 20.14 C ATOM 1115 CG LEU A 73 23.894 8.904 -4.071 1.00 51.32 C ATOM 1116 CD1 LEU A 73 24.962 9.368 -3.093 1.00 31.44 C ATOM 1117 CD2 LEU A 73 22.674 9.811 -4.001 1.00 10.31 C ATOM 0 H LEU A 73 24.503 6.758 -6.776 1.00 62.43 H new ATOM 0 HA LEU A 73 22.446 8.487 -6.166 1.00 73.45 H new ATOM 0 HB2 LEU A 73 25.241 8.116 -5.534 1.00 20.14 H new ATOM 0 HB3 LEU A 73 24.914 9.828 -5.709 1.00 20.14 H new ATOM 0 HG LEU A 73 23.589 7.895 -3.792 1.00 51.32 H new ATOM 0 HD11 LEU A 73 24.548 9.390 -2.085 1.00 31.44 H new ATOM 0 HD12 LEU A 73 25.807 8.680 -3.123 1.00 31.44 H new ATOM 0 HD13 LEU A 73 25.298 10.368 -3.369 1.00 31.44 H new ATOM 0 HD21 LEU A 73 22.291 9.827 -2.981 1.00 10.31 H new ATOM 0 HD22 LEU A 73 22.954 10.821 -4.299 1.00 10.31 H new ATOM 0 HD23 LEU A 73 21.902 9.435 -4.673 1.00 10.31 H new ATOM 1129 N SER A 74 22.771 10.785 -7.294 1.00 24.22 N ATOM 1130 CA SER A 74 22.691 11.934 -8.188 1.00 12.02 C ATOM 1131 C SER A 74 24.079 12.352 -8.662 1.00 25.22 C ATOM 1132 O SER A 74 24.241 12.866 -9.769 1.00 31.51 O ATOM 1133 CB SER A 74 22.005 13.107 -7.484 1.00 43.04 C ATOM 1134 OG SER A 74 22.718 13.492 -6.322 1.00 23.22 O ATOM 0 H SER A 74 22.277 10.904 -6.409 1.00 24.22 H new ATOM 0 HA SER A 74 22.101 11.646 -9.058 1.00 12.02 H new ATOM 0 HB2 SER A 74 21.933 13.953 -8.167 1.00 43.04 H new ATOM 0 HB3 SER A 74 20.987 12.828 -7.214 1.00 43.04 H new ATOM 0 HG SER A 74 22.357 14.337 -5.981 1.00 23.22 H new ATOM 1140 N ARG A 75 25.079 12.128 -7.815 1.00 61.43 N ATOM 1141 CA ARG A 75 26.454 12.481 -8.146 1.00 2.41 C ATOM 1142 C ARG A 75 27.440 11.694 -7.287 1.00 13.30 C ATOM 1143 O ARG A 75 27.058 10.755 -6.589 1.00 74.32 O ATOM 1144 CB ARG A 75 26.678 13.982 -7.952 1.00 51.30 C ATOM 1145 CG ARG A 75 27.203 14.685 -9.193 1.00 45.10 C ATOM 1146 CD ARG A 75 26.305 15.842 -9.601 1.00 11.24 C ATOM 1147 NE ARG A 75 27.030 16.857 -10.361 1.00 30.30 N ATOM 1148 CZ ARG A 75 27.965 17.640 -9.835 1.00 51.44 C ATOM 1149 NH1 ARG A 75 28.287 17.526 -8.554 1.00 52.53 N ATOM 1150 NH2 ARG A 75 28.580 18.540 -10.592 1.00 3.10 N ATOM 0 H ARG A 75 24.962 11.704 -6.895 1.00 61.43 H new ATOM 0 HA ARG A 75 26.626 12.226 -9.192 1.00 2.41 H new ATOM 0 HB2 ARG A 75 25.738 14.445 -7.653 1.00 51.30 H new ATOM 0 HB3 ARG A 75 27.382 14.133 -7.134 1.00 51.30 H new ATOM 0 HG2 ARG A 75 28.211 15.055 -9.004 1.00 45.10 H new ATOM 0 HG3 ARG A 75 27.274 13.971 -10.014 1.00 45.10 H new ATOM 0 HD2 ARG A 75 25.477 15.464 -10.200 1.00 11.24 H new ATOM 0 HD3 ARG A 75 25.873 16.297 -8.710 1.00 11.24 H new ATOM 0 HE ARG A 75 26.806 16.971 -11.350 1.00 30.30 H new ATOM 0 HH11 ARG A 75 27.816 16.835 -7.969 1.00 52.53 H new ATOM 0 HH12 ARG A 75 29.006 18.129 -8.153 1.00 52.53 H new ATOM 0 HH21 ARG A 75 28.335 18.630 -11.578 1.00 3.10 H new ATOM 0 HH22 ARG A 75 29.298 19.141 -10.188 1.00 3.10 H new ATOM 1164 N ASP A 76 28.708 12.084 -7.344 1.00 4.12 N ATOM 1165 CA ASP A 76 29.749 11.416 -6.571 1.00 31.20 C ATOM 1166 C ASP A 76 29.370 11.348 -5.095 1.00 23.52 C ATOM 1167 O ASP A 76 28.560 12.139 -4.615 1.00 4.25 O ATOM 1168 CB ASP A 76 31.083 12.145 -6.735 1.00 24.22 C ATOM 1169 CG ASP A 76 32.048 11.392 -7.630 1.00 3.23 C ATOM 1170 OD1 ASP A 76 31.579 10.620 -8.491 1.00 35.31 O ATOM 1171 OD2 ASP A 76 33.273 11.575 -7.468 1.00 63.23 O ATOM 0 H ASP A 76 29.040 12.859 -7.917 1.00 4.12 H new ATOM 0 HA ASP A 76 29.852 10.399 -6.949 1.00 31.20 H new ATOM 0 HB2 ASP A 76 30.903 13.136 -7.152 1.00 24.22 H new ATOM 0 HB3 ASP A 76 31.538 12.289 -5.755 1.00 24.22 H new ATOM 1176 N ASN A 77 29.961 10.395 -4.381 1.00 24.11 N ATOM 1177 CA ASN A 77 29.685 10.222 -2.959 1.00 53.14 C ATOM 1178 C ASN A 77 29.836 11.543 -2.211 1.00 52.13 C ATOM 1179 O ASN A 77 30.950 11.986 -1.932 1.00 51.41 O ATOM 1180 CB ASN A 77 30.623 9.173 -2.360 1.00 5.23 C ATOM 1181 CG ASN A 77 32.034 9.280 -2.906 1.00 2.23 C ATOM 1182 OD1 ASN A 77 32.317 8.833 -4.017 1.00 61.03 O ATOM 1183 ND2 ASN A 77 32.928 9.875 -2.124 1.00 15.22 N ATOM 0 H ASN A 77 30.634 9.731 -4.764 1.00 24.11 H new ATOM 0 HA ASN A 77 28.655 9.881 -2.853 1.00 53.14 H new ATOM 0 HB2 ASN A 77 30.646 9.287 -1.276 1.00 5.23 H new ATOM 0 HB3 ASN A 77 30.230 8.178 -2.568 1.00 5.23 H new ATOM 0 HD21 ASN A 77 33.893 9.976 -2.438 1.00 15.22 H new ATOM 0 HD22 ASN A 77 32.649 10.231 -1.210 1.00 15.22 H new ATOM 1190 N ASP A 78 28.708 12.166 -1.889 1.00 52.53 N ATOM 1191 CA ASP A 78 28.714 13.436 -1.172 1.00 12.12 C ATOM 1192 C ASP A 78 27.291 13.937 -0.941 1.00 63.32 C ATOM 1193 O ASP A 78 27.034 15.140 -0.967 1.00 24.11 O ATOM 1194 CB ASP A 78 29.516 14.481 -1.948 1.00 51.44 C ATOM 1195 CG ASP A 78 30.448 15.277 -1.055 1.00 71.25 C ATOM 1196 OD1 ASP A 78 30.127 15.440 0.140 1.00 25.22 O ATOM 1197 OD2 ASP A 78 31.497 15.737 -1.553 1.00 2.04 O ATOM 0 H ASP A 78 27.778 11.812 -2.113 1.00 52.53 H new ATOM 0 HA ASP A 78 29.185 13.275 -0.202 1.00 12.12 H new ATOM 0 HB2 ASP A 78 30.098 13.985 -2.725 1.00 51.44 H new ATOM 0 HB3 ASP A 78 28.829 15.162 -2.450 1.00 51.44 H new ATOM 1202 N ALA A 79 26.371 13.005 -0.717 1.00 74.20 N ATOM 1203 CA ALA A 79 24.975 13.351 -0.481 1.00 54.41 C ATOM 1204 C ALA A 79 24.774 13.892 0.931 1.00 61.52 C ATOM 1205 O ALA A 79 24.465 13.140 1.855 1.00 24.42 O ATOM 1206 CB ALA A 79 24.083 12.141 -0.717 1.00 2.11 C ATOM 0 H ALA A 79 26.567 12.004 -0.694 1.00 74.20 H new ATOM 0 HA ALA A 79 24.697 14.135 -1.185 1.00 54.41 H new ATOM 0 HB1 ALA A 79 23.043 12.415 -0.537 1.00 2.11 H new ATOM 0 HB2 ALA A 79 24.196 11.801 -1.747 1.00 2.11 H new ATOM 0 HB3 ALA A 79 24.370 11.339 -0.037 1.00 2.11 H new ATOM 1212 N SER A 80 24.952 15.199 1.090 1.00 2.11 N ATOM 1213 CA SER A 80 24.795 15.839 2.391 1.00 61.01 C ATOM 1214 C SER A 80 23.363 15.697 2.897 1.00 72.30 C ATOM 1215 O SER A 80 23.091 14.923 3.815 1.00 1.21 O ATOM 1216 CB SER A 80 25.173 17.319 2.304 1.00 54.03 C ATOM 1217 OG SER A 80 26.579 17.484 2.247 1.00 52.24 O ATOM 0 H SER A 80 25.205 15.836 0.334 1.00 2.11 H new ATOM 0 HA SER A 80 25.462 15.342 3.096 1.00 61.01 H new ATOM 0 HB2 SER A 80 24.716 17.763 1.420 1.00 54.03 H new ATOM 0 HB3 SER A 80 24.776 17.850 3.169 1.00 54.03 H new ATOM 0 HG SER A 80 26.865 17.536 1.311 1.00 52.24 H new ATOM 1223 N SER A 81 22.450 16.449 2.291 1.00 43.42 N ATOM 1224 CA SER A 81 21.046 16.411 2.681 1.00 11.14 C ATOM 1225 C SER A 81 20.179 15.882 1.542 1.00 4.34 C ATOM 1226 O SER A 81 20.597 15.867 0.384 1.00 2.25 O ATOM 1227 CB SER A 81 20.571 17.806 3.093 1.00 20.13 C ATOM 1228 OG SER A 81 19.156 17.871 3.135 1.00 40.31 O ATOM 0 H SER A 81 22.658 17.092 1.527 1.00 43.42 H new ATOM 0 HA SER A 81 20.949 15.736 3.531 1.00 11.14 H new ATOM 0 HB2 SER A 81 20.979 18.058 4.072 1.00 20.13 H new ATOM 0 HB3 SER A 81 20.951 18.546 2.389 1.00 20.13 H new ATOM 0 HG SER A 81 18.811 17.131 3.677 1.00 40.31 H new ATOM 1234 N VAL A 82 18.969 15.448 1.880 1.00 1.52 N ATOM 1235 CA VAL A 82 18.042 14.919 0.887 1.00 11.42 C ATOM 1236 C VAL A 82 16.595 15.167 1.299 1.00 22.24 C ATOM 1237 O VAL A 82 16.313 15.475 2.458 1.00 70.55 O ATOM 1238 CB VAL A 82 18.252 13.409 0.672 1.00 32.21 C ATOM 1239 CG1 VAL A 82 19.575 13.148 -0.032 1.00 12.22 C ATOM 1240 CG2 VAL A 82 18.190 12.668 2.000 1.00 52.35 C ATOM 0 H VAL A 82 18.608 15.452 2.834 1.00 1.52 H new ATOM 0 HA VAL A 82 18.245 15.443 -0.047 1.00 11.42 H new ATOM 0 HB VAL A 82 17.450 13.036 0.036 1.00 32.21 H new ATOM 0 HG11 VAL A 82 19.706 12.075 -0.175 1.00 12.22 H new ATOM 0 HG12 VAL A 82 19.576 13.646 -1.002 1.00 12.22 H new ATOM 0 HG13 VAL A 82 20.393 13.535 0.575 1.00 12.22 H new ATOM 0 HG21 VAL A 82 18.340 11.602 1.829 1.00 52.35 H new ATOM 0 HG22 VAL A 82 18.970 13.043 2.663 1.00 52.35 H new ATOM 0 HG23 VAL A 82 17.215 12.828 2.461 1.00 52.35 H new ATOM 1250 N ARG A 83 15.682 15.030 0.344 1.00 72.22 N ATOM 1251 CA ARG A 83 14.263 15.239 0.607 1.00 2.12 C ATOM 1252 C ARG A 83 13.425 14.127 -0.016 1.00 34.23 C ATOM 1253 O ARG A 83 13.660 13.721 -1.154 1.00 31.32 O ATOM 1254 CB ARG A 83 13.816 16.596 0.061 1.00 41.30 C ATOM 1255 CG ARG A 83 13.003 17.414 1.052 1.00 61.45 C ATOM 1256 CD ARG A 83 13.549 18.826 1.189 1.00 4.13 C ATOM 1257 NE ARG A 83 12.537 19.759 1.676 1.00 2.43 N ATOM 1258 CZ ARG A 83 11.584 20.276 0.909 1.00 42.32 C ATOM 1259 NH1 ARG A 83 11.514 19.952 -0.375 1.00 15.12 N ATOM 1260 NH2 ARG A 83 10.699 21.119 1.425 1.00 11.13 N ATOM 0 H ARG A 83 15.899 14.775 -0.619 1.00 72.22 H new ATOM 0 HA ARG A 83 14.113 15.222 1.686 1.00 2.12 H new ATOM 0 HB2 ARG A 83 14.696 17.168 -0.233 1.00 41.30 H new ATOM 0 HB3 ARG A 83 13.223 16.438 -0.840 1.00 41.30 H new ATOM 0 HG2 ARG A 83 11.964 17.455 0.726 1.00 61.45 H new ATOM 0 HG3 ARG A 83 13.013 16.923 2.025 1.00 61.45 H new ATOM 0 HD2 ARG A 83 14.397 18.822 1.873 1.00 4.13 H new ATOM 0 HD3 ARG A 83 13.921 19.166 0.223 1.00 4.13 H new ATOM 0 HE ARG A 83 12.563 20.029 2.659 1.00 2.43 H new ATOM 0 HH11 ARG A 83 12.193 19.305 -0.775 1.00 15.12 H new ATOM 0 HH12 ARG A 83 10.781 20.350 -0.962 1.00 15.12 H new ATOM 0 HH21 ARG A 83 10.750 21.371 2.412 1.00 11.13 H new ATOM 0 HH22 ARG A 83 9.968 21.515 0.835 1.00 11.13 H new ATOM 1274 N VAL A 84 12.445 13.638 0.739 1.00 64.34 N ATOM 1275 CA VAL A 84 11.571 12.573 0.261 1.00 64.01 C ATOM 1276 C VAL A 84 10.110 12.883 0.566 1.00 23.23 C ATOM 1277 O VAL A 84 9.784 13.388 1.640 1.00 35.03 O ATOM 1278 CB VAL A 84 11.940 11.218 0.893 1.00 24.21 C ATOM 1279 CG1 VAL A 84 13.433 10.956 0.763 1.00 42.43 C ATOM 1280 CG2 VAL A 84 11.509 11.175 2.351 1.00 12.52 C ATOM 0 H VAL A 84 12.237 13.963 1.683 1.00 64.34 H new ATOM 0 HA VAL A 84 11.708 12.511 -0.819 1.00 64.01 H new ATOM 0 HB VAL A 84 11.409 10.431 0.357 1.00 24.21 H new ATOM 0 HG11 VAL A 84 13.674 9.994 1.215 1.00 42.43 H new ATOM 0 HG12 VAL A 84 13.709 10.941 -0.291 1.00 42.43 H new ATOM 0 HG13 VAL A 84 13.987 11.745 1.272 1.00 42.43 H new ATOM 0 HG21 VAL A 84 11.778 10.210 2.782 1.00 12.52 H new ATOM 0 HG22 VAL A 84 12.010 11.971 2.902 1.00 12.52 H new ATOM 0 HG23 VAL A 84 10.430 11.313 2.416 1.00 12.52 H new ATOM 1290 N SER A 85 9.235 12.576 -0.385 1.00 55.24 N ATOM 1291 CA SER A 85 7.807 12.825 -0.220 1.00 23.12 C ATOM 1292 C SER A 85 6.991 11.961 -1.176 1.00 33.42 C ATOM 1293 O SER A 85 7.523 11.399 -2.133 1.00 65.11 O ATOM 1294 CB SER A 85 7.495 14.303 -0.458 1.00 13.53 C ATOM 1295 OG SER A 85 8.466 15.135 0.154 1.00 71.23 O ATOM 0 H SER A 85 9.489 12.154 -1.278 1.00 55.24 H new ATOM 0 HA SER A 85 7.533 12.563 0.802 1.00 23.12 H new ATOM 0 HB2 SER A 85 7.463 14.503 -1.529 1.00 13.53 H new ATOM 0 HB3 SER A 85 6.508 14.538 -0.060 1.00 13.53 H new ATOM 0 HG SER A 85 8.244 16.075 -0.014 1.00 71.23 H new ATOM 1301 N LYS A 86 5.693 11.858 -0.909 1.00 41.40 N ATOM 1302 CA LYS A 86 4.800 11.064 -1.744 1.00 50.34 C ATOM 1303 C LYS A 86 4.056 11.949 -2.740 1.00 24.10 C ATOM 1304 O LYS A 86 3.387 12.907 -2.354 1.00 31.41 O ATOM 1305 CB LYS A 86 3.797 10.303 -0.874 1.00 63.25 C ATOM 1306 CG LYS A 86 3.220 9.071 -1.549 1.00 33.41 C ATOM 1307 CD LYS A 86 2.873 7.992 -0.537 1.00 34.14 C ATOM 1308 CE LYS A 86 1.540 7.333 -0.859 1.00 11.34 C ATOM 1309 NZ LYS A 86 0.388 8.160 -0.403 1.00 42.44 N ATOM 0 H LYS A 86 5.236 12.315 -0.120 1.00 41.40 H new ATOM 0 HA LYS A 86 5.405 10.349 -2.301 1.00 50.34 H new ATOM 0 HB2 LYS A 86 4.286 10.004 0.053 1.00 63.25 H new ATOM 0 HB3 LYS A 86 2.982 10.974 -0.602 1.00 63.25 H new ATOM 0 HG2 LYS A 86 2.326 9.347 -2.109 1.00 33.41 H new ATOM 0 HG3 LYS A 86 3.939 8.679 -2.268 1.00 33.41 H new ATOM 0 HD2 LYS A 86 3.659 7.237 -0.524 1.00 34.14 H new ATOM 0 HD3 LYS A 86 2.833 8.428 0.461 1.00 34.14 H new ATOM 0 HE2 LYS A 86 1.466 7.169 -1.934 1.00 11.34 H new ATOM 0 HE3 LYS A 86 1.495 6.353 -0.383 1.00 11.34 H new ATOM 0 HZ1 LYS A 86 -0.502 7.677 -0.641 1.00 42.44 H new ATOM 0 HZ2 LYS A 86 0.444 8.296 0.627 1.00 42.44 H new ATOM 0 HZ3 LYS A 86 0.416 9.086 -0.876 1.00 42.44 H new ATOM 1323 N MET A 87 4.178 11.621 -4.022 1.00 73.40 N ATOM 1324 CA MET A 87 3.514 12.384 -5.072 1.00 43.52 C ATOM 1325 C MET A 87 2.224 11.699 -5.511 1.00 63.20 C ATOM 1326 O MET A 87 1.763 10.756 -4.869 1.00 22.03 O ATOM 1327 CB MET A 87 4.447 12.559 -6.273 1.00 32.55 C ATOM 1328 CG MET A 87 4.468 13.974 -6.825 1.00 51.44 C ATOM 1329 SD MET A 87 5.159 15.165 -5.661 1.00 21.44 S ATOM 1330 CE MET A 87 3.668 15.955 -5.060 1.00 45.40 C ATOM 0 H MET A 87 4.730 10.832 -4.359 1.00 73.40 H new ATOM 0 HA MET A 87 3.263 13.365 -4.669 1.00 43.52 H new ATOM 0 HB2 MET A 87 5.459 12.277 -5.981 1.00 32.55 H new ATOM 0 HB3 MET A 87 4.141 11.874 -7.064 1.00 32.55 H new ATOM 0 HG2 MET A 87 5.051 13.992 -7.746 1.00 51.44 H new ATOM 0 HG3 MET A 87 3.453 14.273 -7.085 1.00 51.44 H new ATOM 0 HE1 MET A 87 3.655 16.998 -5.377 1.00 45.40 H new ATOM 0 HE2 MET A 87 2.796 15.442 -5.465 1.00 45.40 H new ATOM 0 HE3 MET A 87 3.644 15.907 -3.971 1.00 45.40 H new