USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -90:sc= 0.792 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.92! C(o=-1.1!,f=-6.7!) USER MOD Single : A 1 LYS N :NH3+ 129:sc= 0.153 (180deg=-0.0133) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 130:sc= 0.0489 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.54! X(o=-2.5!,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.85) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.041) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= 0.482 (180deg=0.224) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.62 F(o=-1.5!,f=-0.62) USER MOD Single : A 46 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.29) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0.29 (180deg=0.241) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.584 K(o=0.58,f=-0.065) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -135:sc= -0.0747 (180deg=-0.499) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.853 -24.490 -4.494 1.00 22.43 N ATOM 2 CA LYS A 1 7.382 -23.265 -5.085 1.00 5.03 C ATOM 3 C LYS A 1 8.151 -22.513 -4.016 1.00 72.12 C ATOM 4 O LYS A 1 7.912 -22.733 -2.824 1.00 63.31 O ATOM 5 CB LYS A 1 6.227 -22.369 -5.609 1.00 13.41 C ATOM 6 CG LYS A 1 5.296 -21.861 -4.548 1.00 33.45 C ATOM 7 CD LYS A 1 4.256 -20.941 -5.141 1.00 53.44 C ATOM 8 CE LYS A 1 3.392 -20.381 -4.056 1.00 30.02 C ATOM 9 NZ LYS A 1 2.345 -19.468 -4.562 1.00 75.51 N ATOM 0 H1 LYS A 1 5.836 -24.562 -4.697 1.00 22.43 H new ATOM 0 H2 LYS A 1 7.346 -25.312 -4.899 1.00 22.43 H new ATOM 0 H3 LYS A 1 7.000 -24.470 -3.465 1.00 22.43 H new ATOM 0 HA LYS A 1 8.032 -23.518 -5.923 1.00 5.03 H new ATOM 0 HB2 LYS A 1 6.657 -21.516 -6.134 1.00 13.41 H new ATOM 0 HB3 LYS A 1 5.649 -22.935 -6.339 1.00 13.41 H new ATOM 0 HG2 LYS A 1 4.806 -22.701 -4.055 1.00 33.45 H new ATOM 0 HG3 LYS A 1 5.864 -21.330 -3.784 1.00 33.45 H new ATOM 0 HD2 LYS A 1 4.742 -20.131 -5.685 1.00 53.44 H new ATOM 0 HD3 LYS A 1 3.644 -21.486 -5.860 1.00 53.44 H new ATOM 0 HE2 LYS A 1 2.920 -21.202 -3.516 1.00 30.02 H new ATOM 0 HE3 LYS A 1 4.017 -19.846 -3.341 1.00 30.02 H new ATOM 0 HZ1 LYS A 1 1.779 -19.113 -3.765 1.00 75.51 H new ATOM 0 HZ2 LYS A 1 2.791 -18.668 -5.054 1.00 75.51 H new ATOM 0 HZ3 LYS A 1 1.727 -19.981 -5.223 1.00 75.51 H new ATOM 23 N PRO A 2 9.101 -21.649 -4.392 1.00 45.41 N ATOM 24 CA PRO A 2 9.789 -20.812 -3.429 1.00 41.22 C ATOM 25 C PRO A 2 8.794 -19.824 -2.820 1.00 43.10 C ATOM 26 O PRO A 2 8.161 -19.041 -3.544 1.00 70.52 O ATOM 27 CB PRO A 2 10.852 -20.073 -4.262 1.00 3.45 C ATOM 28 CG PRO A 2 10.370 -20.155 -5.668 1.00 22.11 C ATOM 29 CD PRO A 2 9.583 -21.429 -5.768 1.00 62.21 C ATOM 0 HA PRO A 2 10.233 -21.372 -2.606 1.00 41.22 H new ATOM 0 HB2 PRO A 2 10.954 -19.037 -3.940 1.00 3.45 H new ATOM 0 HB3 PRO A 2 11.832 -20.539 -4.153 1.00 3.45 H new ATOM 0 HG2 PRO A 2 9.750 -19.294 -5.918 1.00 22.11 H new ATOM 0 HG3 PRO A 2 11.207 -20.159 -6.367 1.00 22.11 H new ATOM 0 HD2 PRO A 2 8.756 -21.335 -6.472 1.00 62.21 H new ATOM 0 HD3 PRO A 2 10.203 -22.257 -6.113 1.00 62.21 H new ATOM 37 N VAL A 3 8.618 -19.891 -1.519 1.00 3.00 N ATOM 38 CA VAL A 3 7.676 -19.024 -0.852 1.00 43.31 C ATOM 39 C VAL A 3 8.190 -17.594 -0.786 1.00 61.44 C ATOM 40 O VAL A 3 9.010 -17.227 0.062 1.00 30.22 O ATOM 41 CB VAL A 3 7.208 -19.563 0.537 1.00 44.41 C ATOM 42 CG1 VAL A 3 6.388 -20.834 0.353 1.00 44.44 C ATOM 43 CG2 VAL A 3 8.392 -19.855 1.450 1.00 61.44 C ATOM 0 H VAL A 3 9.114 -20.536 -0.904 1.00 3.00 H new ATOM 0 HA VAL A 3 6.775 -19.017 -1.466 1.00 43.31 H new ATOM 0 HB VAL A 3 6.597 -18.790 1.003 1.00 44.41 H new ATOM 0 HG11 VAL A 3 6.066 -21.203 1.327 1.00 44.44 H new ATOM 0 HG12 VAL A 3 5.514 -20.617 -0.261 1.00 44.44 H new ATOM 0 HG13 VAL A 3 6.997 -21.592 -0.139 1.00 44.44 H new ATOM 0 HG21 VAL A 3 8.030 -20.228 2.408 1.00 61.44 H new ATOM 0 HG22 VAL A 3 9.032 -20.606 0.987 1.00 61.44 H new ATOM 0 HG23 VAL A 3 8.963 -18.940 1.610 1.00 61.44 H new ATOM 53 N SER A 4 7.746 -16.816 -1.725 1.00 72.10 N ATOM 54 CA SER A 4 8.156 -15.466 -1.855 1.00 33.25 C ATOM 55 C SER A 4 7.470 -14.599 -0.820 1.00 11.12 C ATOM 56 O SER A 4 6.262 -14.365 -0.885 1.00 22.42 O ATOM 57 CB SER A 4 7.838 -14.994 -3.251 1.00 73.32 C ATOM 58 OG SER A 4 8.422 -15.873 -4.203 1.00 53.53 O ATOM 0 H SER A 4 7.075 -17.115 -2.433 1.00 72.10 H new ATOM 0 HA SER A 4 9.230 -15.390 -1.685 1.00 33.25 H new ATOM 0 HB2 SER A 4 6.758 -14.955 -3.394 1.00 73.32 H new ATOM 0 HB3 SER A 4 8.216 -13.982 -3.397 1.00 73.32 H new ATOM 0 HG SER A 4 8.211 -15.562 -5.108 1.00 53.53 H new ATOM 64 N LEU A 5 8.223 -14.158 0.137 1.00 64.32 N ATOM 65 CA LEU A 5 7.707 -13.332 1.172 1.00 32.41 C ATOM 66 C LEU A 5 8.695 -12.214 1.404 1.00 51.31 C ATOM 67 O LEU A 5 9.865 -12.345 1.059 1.00 30.32 O ATOM 68 CB LEU A 5 7.486 -14.156 2.453 1.00 70.01 C ATOM 69 CG LEU A 5 6.815 -13.438 3.625 1.00 50.02 C ATOM 70 CD1 LEU A 5 5.422 -12.964 3.233 1.00 35.20 C ATOM 71 CD2 LEU A 5 6.746 -14.348 4.839 1.00 64.15 C ATOM 0 H LEU A 5 9.219 -14.364 0.219 1.00 64.32 H new ATOM 0 HA LEU A 5 6.741 -12.916 0.887 1.00 32.41 H new ATOM 0 HB2 LEU A 5 6.883 -15.027 2.197 1.00 70.01 H new ATOM 0 HB3 LEU A 5 8.454 -14.527 2.790 1.00 70.01 H new ATOM 0 HG LEU A 5 7.416 -12.566 3.883 1.00 50.02 H new ATOM 0 HD11 LEU A 5 4.959 -12.455 4.079 1.00 35.20 H new ATOM 0 HD12 LEU A 5 5.495 -12.275 2.391 1.00 35.20 H new ATOM 0 HD13 LEU A 5 4.813 -13.822 2.948 1.00 35.20 H new ATOM 0 HD21 LEU A 5 6.266 -13.820 5.663 1.00 64.15 H new ATOM 0 HD22 LEU A 5 6.169 -15.239 4.593 1.00 64.15 H new ATOM 0 HD23 LEU A 5 7.754 -14.639 5.133 1.00 64.15 H new ATOM 83 N SER A 6 8.234 -11.127 1.928 1.00 35.45 N ATOM 84 CA SER A 6 9.065 -10.006 2.170 1.00 1.14 C ATOM 85 C SER A 6 9.830 -10.120 3.492 1.00 52.32 C ATOM 86 O SER A 6 9.286 -9.875 4.575 1.00 21.34 O ATOM 87 CB SER A 6 8.235 -8.743 2.060 1.00 40.12 C ATOM 88 OG SER A 6 6.978 -8.919 2.695 1.00 51.53 O ATOM 0 H SER A 6 7.260 -10.996 2.201 1.00 35.45 H new ATOM 0 HA SER A 6 9.845 -9.966 1.409 1.00 1.14 H new ATOM 0 HB2 SER A 6 8.767 -7.910 2.518 1.00 40.12 H new ATOM 0 HB3 SER A 6 8.087 -8.488 1.011 1.00 40.12 H new ATOM 0 HG SER A 6 6.813 -8.171 3.306 1.00 51.53 H new ATOM 94 N TYR A 7 11.068 -10.560 3.386 1.00 3.34 N ATOM 95 CA TYR A 7 11.956 -10.678 4.524 1.00 53.12 C ATOM 96 C TYR A 7 12.873 -9.483 4.579 1.00 13.10 C ATOM 97 O TYR A 7 12.959 -8.784 5.581 1.00 32.14 O ATOM 98 CB TYR A 7 12.799 -11.962 4.449 1.00 21.05 C ATOM 99 CG TYR A 7 12.001 -13.246 4.398 1.00 64.11 C ATOM 100 CD1 TYR A 7 11.502 -13.819 5.554 1.00 43.33 C ATOM 101 CD2 TYR A 7 11.750 -13.885 3.193 1.00 53.34 C ATOM 102 CE1 TYR A 7 10.779 -14.989 5.514 1.00 4.31 C ATOM 103 CE2 TYR A 7 11.026 -15.057 3.143 1.00 1.24 C ATOM 104 CZ TYR A 7 10.545 -15.602 4.307 1.00 11.41 C ATOM 105 OH TYR A 7 9.826 -16.774 4.266 1.00 4.52 O ATOM 0 H TYR A 7 11.488 -10.847 2.502 1.00 3.34 H new ATOM 0 HA TYR A 7 11.343 -10.722 5.424 1.00 53.12 H new ATOM 0 HB2 TYR A 7 13.434 -11.911 3.565 1.00 21.05 H new ATOM 0 HB3 TYR A 7 13.460 -11.996 5.315 1.00 21.05 H new ATOM 0 HD1 TYR A 7 11.683 -13.340 6.505 1.00 43.33 H new ATOM 0 HD2 TYR A 7 12.129 -13.456 2.277 1.00 53.34 H new ATOM 0 HE1 TYR A 7 10.398 -15.423 6.426 1.00 4.31 H new ATOM 0 HE2 TYR A 7 10.839 -15.542 2.196 1.00 1.24 H new ATOM 0 HH TYR A 7 9.748 -17.078 3.338 1.00 4.52 H new ATOM 115 N ARG A 8 13.543 -9.241 3.475 1.00 14.04 N ATOM 116 CA ARG A 8 14.507 -8.140 3.379 1.00 35.42 C ATOM 117 C ARG A 8 13.805 -6.827 3.084 1.00 50.23 C ATOM 118 O ARG A 8 14.370 -5.755 3.255 1.00 14.45 O ATOM 119 CB ARG A 8 15.578 -8.403 2.299 1.00 33.25 C ATOM 120 CG ARG A 8 15.027 -8.466 0.877 1.00 22.51 C ATOM 121 CD ARG A 8 16.126 -8.602 -0.168 1.00 34.22 C ATOM 122 NE ARG A 8 17.087 -7.489 -0.100 1.00 40.41 N ATOM 123 CZ ARG A 8 17.343 -6.617 -1.086 1.00 35.32 C ATOM 124 NH1 ARG A 8 16.657 -6.652 -2.226 1.00 62.44 N ATOM 125 NH2 ARG A 8 18.292 -5.697 -0.915 1.00 62.32 N ATOM 0 H ARG A 8 13.445 -9.789 2.620 1.00 14.04 H new ATOM 0 HA ARG A 8 15.004 -8.075 4.347 1.00 35.42 H new ATOM 0 HB2 ARG A 8 16.331 -7.617 2.351 1.00 33.25 H new ATOM 0 HB3 ARG A 8 16.082 -9.343 2.524 1.00 33.25 H new ATOM 0 HG2 ARG A 8 14.343 -9.311 0.793 1.00 22.51 H new ATOM 0 HG3 ARG A 8 14.447 -7.565 0.675 1.00 22.51 H new ATOM 0 HD2 ARG A 8 16.652 -9.545 -0.022 1.00 34.22 H new ATOM 0 HD3 ARG A 8 15.680 -8.637 -1.162 1.00 34.22 H new ATOM 0 HE ARG A 8 17.603 -7.371 0.772 1.00 40.41 H new ATOM 0 HH11 ARG A 8 15.924 -7.349 -2.359 1.00 62.44 H new ATOM 0 HH12 ARG A 8 16.864 -5.982 -2.966 1.00 62.44 H new ATOM 0 HH21 ARG A 8 18.816 -5.661 -0.040 1.00 62.32 H new ATOM 0 HH22 ARG A 8 18.495 -5.029 -1.659 1.00 62.32 H new ATOM 139 N CYS A 9 12.592 -6.918 2.666 1.00 2.51 N ATOM 140 CA CYS A 9 11.839 -5.749 2.279 1.00 3.04 C ATOM 141 C CYS A 9 10.535 -5.695 3.042 1.00 54.42 C ATOM 142 O CYS A 9 10.014 -6.735 3.439 1.00 45.32 O ATOM 143 CB CYS A 9 11.558 -5.778 0.772 1.00 54.31 C ATOM 144 SG CYS A 9 13.051 -5.925 -0.260 1.00 34.23 S ATOM 0 H CYS A 9 12.083 -7.797 2.578 1.00 2.51 H new ATOM 0 HA CYS A 9 12.426 -4.861 2.514 1.00 3.04 H new ATOM 0 HB2 CYS A 9 10.894 -6.614 0.553 1.00 54.31 H new ATOM 0 HB3 CYS A 9 11.026 -4.868 0.495 1.00 54.31 H new ATOM 149 N PRO A 10 10.019 -4.482 3.313 1.00 71.45 N ATOM 150 CA PRO A 10 8.707 -4.288 3.946 1.00 74.24 C ATOM 151 C PRO A 10 7.559 -5.024 3.218 1.00 34.22 C ATOM 152 O PRO A 10 6.653 -5.555 3.866 1.00 63.33 O ATOM 153 CB PRO A 10 8.505 -2.770 3.882 1.00 72.14 C ATOM 154 CG PRO A 10 9.885 -2.223 3.898 1.00 71.43 C ATOM 155 CD PRO A 10 10.710 -3.190 3.096 1.00 3.12 C ATOM 0 HA PRO A 10 8.687 -4.697 4.956 1.00 74.24 H new ATOM 0 HB2 PRO A 10 7.970 -2.476 2.979 1.00 72.14 H new ATOM 0 HB3 PRO A 10 7.923 -2.409 4.730 1.00 72.14 H new ATOM 0 HG2 PRO A 10 9.916 -1.225 3.462 1.00 71.43 H new ATOM 0 HG3 PRO A 10 10.261 -2.137 4.917 1.00 71.43 H new ATOM 0 HD2 PRO A 10 10.736 -2.919 2.041 1.00 3.12 H new ATOM 0 HD3 PRO A 10 11.743 -3.222 3.442 1.00 3.12 H new ATOM 163 N CYS A 11 7.593 -5.067 1.874 1.00 42.15 N ATOM 164 CA CYS A 11 6.539 -5.769 1.144 1.00 4.35 C ATOM 165 C CYS A 11 7.014 -6.176 -0.263 1.00 53.33 C ATOM 166 O CYS A 11 7.839 -5.499 -0.862 1.00 53.53 O ATOM 167 CB CYS A 11 5.287 -4.887 1.033 1.00 33.43 C ATOM 168 SG CYS A 11 3.826 -5.777 0.455 1.00 44.34 S ATOM 0 H CYS A 11 8.314 -4.638 1.294 1.00 42.15 H new ATOM 0 HA CYS A 11 6.294 -6.673 1.701 1.00 4.35 H new ATOM 0 HB2 CYS A 11 5.073 -4.449 2.008 1.00 33.43 H new ATOM 0 HB3 CYS A 11 5.493 -4.062 0.351 1.00 33.43 H new ATOM 173 N ARG A 12 6.515 -7.300 -0.769 1.00 12.22 N ATOM 174 CA ARG A 12 6.829 -7.725 -2.142 1.00 45.43 C ATOM 175 C ARG A 12 5.576 -8.086 -2.936 1.00 30.34 C ATOM 176 O ARG A 12 5.634 -8.320 -4.140 1.00 21.11 O ATOM 177 CB ARG A 12 7.925 -8.843 -2.196 1.00 55.03 C ATOM 178 CG ARG A 12 7.673 -10.124 -1.370 1.00 54.11 C ATOM 179 CD ARG A 12 6.468 -10.937 -1.832 1.00 71.23 C ATOM 180 NE ARG A 12 6.595 -11.406 -3.217 1.00 50.15 N ATOM 181 CZ ARG A 12 5.734 -12.250 -3.807 1.00 64.11 C ATOM 182 NH1 ARG A 12 4.722 -12.766 -3.117 1.00 42.21 N ATOM 183 NH2 ARG A 12 5.901 -12.596 -5.075 1.00 60.33 N ATOM 0 H ARG A 12 5.897 -7.932 -0.260 1.00 12.22 H new ATOM 0 HA ARG A 12 7.267 -6.859 -2.638 1.00 45.43 H new ATOM 0 HB2 ARG A 12 8.058 -9.134 -3.238 1.00 55.03 H new ATOM 0 HB3 ARG A 12 8.867 -8.408 -1.864 1.00 55.03 H new ATOM 0 HG2 ARG A 12 8.562 -10.754 -1.416 1.00 54.11 H new ATOM 0 HG3 ARG A 12 7.532 -9.848 -0.325 1.00 54.11 H new ATOM 0 HD2 ARG A 12 6.341 -11.796 -1.173 1.00 71.23 H new ATOM 0 HD3 ARG A 12 5.568 -10.329 -1.740 1.00 71.23 H new ATOM 0 HE ARG A 12 7.387 -11.070 -3.765 1.00 50.15 H new ATOM 0 HH11 ARG A 12 4.597 -12.521 -2.135 1.00 42.21 H new ATOM 0 HH12 ARG A 12 4.070 -13.407 -3.570 1.00 42.21 H new ATOM 0 HH21 ARG A 12 6.686 -12.221 -5.607 1.00 60.33 H new ATOM 0 HH22 ARG A 12 5.244 -13.238 -5.519 1.00 60.33 H new ATOM 197 N PHE A 13 4.457 -8.121 -2.255 1.00 74.02 N ATOM 198 CA PHE A 13 3.190 -8.436 -2.869 1.00 31.02 C ATOM 199 C PHE A 13 2.396 -7.156 -2.984 1.00 34.35 C ATOM 200 O PHE A 13 2.238 -6.456 -2.019 1.00 52.44 O ATOM 201 CB PHE A 13 2.431 -9.515 -2.039 1.00 15.20 C ATOM 202 CG PHE A 13 2.201 -9.160 -0.574 1.00 22.03 C ATOM 203 CD1 PHE A 13 3.165 -9.446 0.384 1.00 11.44 C ATOM 204 CD2 PHE A 13 1.022 -8.541 -0.163 1.00 23.40 C ATOM 205 CE1 PHE A 13 2.960 -9.121 1.710 1.00 41.13 C ATOM 206 CE2 PHE A 13 0.816 -8.217 1.159 1.00 12.51 C ATOM 207 CZ PHE A 13 1.782 -8.504 2.096 1.00 13.55 C ATOM 0 H PHE A 13 4.399 -7.931 -1.255 1.00 74.02 H new ATOM 0 HA PHE A 13 3.341 -8.857 -3.863 1.00 31.02 H new ATOM 0 HB2 PHE A 13 1.465 -9.699 -2.508 1.00 15.20 H new ATOM 0 HB3 PHE A 13 2.991 -10.449 -2.087 1.00 15.20 H new ATOM 0 HD1 PHE A 13 4.085 -9.928 0.088 1.00 11.44 H new ATOM 0 HD2 PHE A 13 0.259 -8.312 -0.892 1.00 23.40 H new ATOM 0 HE1 PHE A 13 3.718 -9.348 2.446 1.00 41.13 H new ATOM 0 HE2 PHE A 13 -0.104 -7.738 1.461 1.00 12.51 H new ATOM 0 HZ PHE A 13 1.621 -8.248 3.133 1.00 13.55 H new ATOM 217 N PHE A 14 1.944 -6.820 -4.148 1.00 72.03 N ATOM 218 CA PHE A 14 1.234 -5.577 -4.306 1.00 21.32 C ATOM 219 C PHE A 14 -0.046 -5.817 -5.069 1.00 20.05 C ATOM 220 O PHE A 14 -0.071 -6.582 -6.045 1.00 73.35 O ATOM 221 CB PHE A 14 2.070 -4.579 -5.095 1.00 35.45 C ATOM 222 CG PHE A 14 3.519 -4.425 -4.697 1.00 12.22 C ATOM 223 CD1 PHE A 14 3.908 -3.946 -3.445 1.00 3.53 C ATOM 224 CD2 PHE A 14 4.499 -4.743 -5.609 1.00 73.22 C ATOM 225 CE1 PHE A 14 5.241 -3.800 -3.139 1.00 43.41 C ATOM 226 CE2 PHE A 14 5.826 -4.603 -5.307 1.00 4.05 C ATOM 227 CZ PHE A 14 6.205 -4.130 -4.070 1.00 53.23 C ATOM 0 H PHE A 14 2.047 -7.375 -4.998 1.00 72.03 H new ATOM 0 HA PHE A 14 1.023 -5.179 -3.313 1.00 21.32 H new ATOM 0 HB2 PHE A 14 2.037 -4.867 -6.146 1.00 35.45 H new ATOM 0 HB3 PHE A 14 1.593 -3.602 -5.017 1.00 35.45 H new ATOM 0 HD1 PHE A 14 3.158 -3.688 -2.712 1.00 3.53 H new ATOM 0 HD2 PHE A 14 4.215 -5.111 -6.584 1.00 73.22 H new ATOM 0 HE1 PHE A 14 5.534 -3.427 -2.169 1.00 43.41 H new ATOM 0 HE2 PHE A 14 6.577 -4.863 -6.039 1.00 4.05 H new ATOM 0 HZ PHE A 14 7.252 -4.018 -3.830 1.00 53.23 H new ATOM 237 N GLU A 15 -1.091 -5.182 -4.633 1.00 14.11 N ATOM 238 CA GLU A 15 -2.361 -5.250 -5.278 1.00 32.42 C ATOM 239 C GLU A 15 -2.426 -4.328 -6.475 1.00 5.31 C ATOM 240 O GLU A 15 -1.954 -3.186 -6.431 1.00 41.54 O ATOM 241 CB GLU A 15 -3.488 -4.999 -4.275 1.00 2.42 C ATOM 242 CG GLU A 15 -4.044 -6.273 -3.633 1.00 61.34 C ATOM 243 CD GLU A 15 -3.003 -7.232 -3.076 1.00 73.54 C ATOM 244 OE1 GLU A 15 -2.333 -7.910 -3.878 1.00 72.11 O ATOM 245 OE2 GLU A 15 -2.905 -7.390 -1.841 1.00 61.12 O ATOM 0 H GLU A 15 -1.082 -4.591 -3.802 1.00 14.11 H new ATOM 0 HA GLU A 15 -2.497 -6.259 -5.667 1.00 32.42 H new ATOM 0 HB2 GLU A 15 -3.121 -4.339 -3.489 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -4.299 -4.474 -4.779 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -4.719 -5.988 -2.826 1.00 61.34 H new ATOM 0 HG3 GLU A 15 -4.641 -6.803 -4.375 1.00 61.34 H new ATOM 252 N SER A 16 -2.984 -4.842 -7.542 1.00 22.13 N ATOM 253 CA SER A 16 -3.078 -4.134 -8.791 1.00 51.34 C ATOM 254 C SER A 16 -4.543 -3.809 -9.113 1.00 4.10 C ATOM 255 O SER A 16 -4.893 -3.467 -10.241 1.00 54.14 O ATOM 256 CB SER A 16 -2.451 -4.991 -9.876 1.00 22.51 C ATOM 257 OG SER A 16 -1.120 -5.367 -9.489 1.00 14.54 O ATOM 0 H SER A 16 -3.391 -5.777 -7.566 1.00 22.13 H new ATOM 0 HA SER A 16 -2.544 -3.186 -8.728 1.00 51.34 H new ATOM 0 HB2 SER A 16 -3.056 -5.882 -10.044 1.00 22.51 H new ATOM 0 HB3 SER A 16 -2.425 -4.441 -10.817 1.00 22.51 H new ATOM 0 HG SER A 16 -0.720 -5.921 -10.191 1.00 14.54 H new ATOM 263 N HIS A 17 -5.384 -3.922 -8.116 1.00 62.04 N ATOM 264 CA HIS A 17 -6.769 -3.538 -8.221 1.00 51.32 C ATOM 265 C HIS A 17 -7.210 -2.974 -6.890 1.00 73.21 C ATOM 266 O HIS A 17 -7.566 -3.719 -5.974 1.00 22.24 O ATOM 267 CB HIS A 17 -7.657 -4.723 -8.642 1.00 24.52 C ATOM 268 CG HIS A 17 -9.089 -4.342 -8.829 1.00 20.42 C ATOM 269 ND1 HIS A 17 -10.061 -4.637 -7.916 1.00 73.24 N ATOM 270 CD2 HIS A 17 -9.704 -3.664 -9.825 1.00 35.31 C ATOM 271 CE1 HIS A 17 -11.205 -4.158 -8.330 1.00 2.03 C ATOM 272 NE2 HIS A 17 -11.020 -3.563 -9.485 1.00 44.03 N ATOM 0 H HIS A 17 -5.124 -4.287 -7.200 1.00 62.04 H new ATOM 0 HA HIS A 17 -6.875 -2.781 -8.998 1.00 51.32 H new ATOM 0 HB2 HIS A 17 -7.274 -5.144 -9.572 1.00 24.52 H new ATOM 0 HB3 HIS A 17 -7.591 -5.506 -7.886 1.00 24.52 H new ATOM 0 HD2 HIS A 17 -9.240 -3.276 -10.720 1.00 35.31 H new ATOM 0 HE1 HIS A 17 -12.147 -4.239 -7.808 1.00 2.03 H new ATOM 0 HE2 HIS A 17 -11.742 -3.101 -10.037 1.00 44.03 H new ATOM 281 N VAL A 18 -7.130 -1.668 -6.764 1.00 34.10 N ATOM 282 CA VAL A 18 -7.451 -0.990 -5.518 1.00 24.30 C ATOM 283 C VAL A 18 -8.265 0.249 -5.821 1.00 21.41 C ATOM 284 O VAL A 18 -7.986 0.952 -6.797 1.00 3.40 O ATOM 285 CB VAL A 18 -6.162 -0.542 -4.746 1.00 34.40 C ATOM 286 CG1 VAL A 18 -6.524 0.081 -3.393 1.00 51.14 C ATOM 287 CG2 VAL A 18 -5.191 -1.700 -4.553 1.00 44.45 C ATOM 0 H VAL A 18 -6.842 -1.043 -7.517 1.00 34.10 H new ATOM 0 HA VAL A 18 -8.007 -1.692 -4.897 1.00 24.30 H new ATOM 0 HB VAL A 18 -5.665 0.213 -5.356 1.00 34.40 H new ATOM 0 HG11 VAL A 18 -5.613 0.384 -2.876 1.00 51.14 H new ATOM 0 HG12 VAL A 18 -7.158 0.953 -3.552 1.00 51.14 H new ATOM 0 HG13 VAL A 18 -7.059 -0.650 -2.787 1.00 51.14 H new ATOM 0 HG21 VAL A 18 -4.310 -1.350 -4.014 1.00 44.45 H new ATOM 0 HG22 VAL A 18 -5.677 -2.490 -3.981 1.00 44.45 H new ATOM 0 HG23 VAL A 18 -4.891 -2.089 -5.526 1.00 44.45 H new ATOM 297 N ALA A 19 -9.259 0.514 -5.015 1.00 33.42 N ATOM 298 CA ALA A 19 -10.062 1.684 -5.174 1.00 31.31 C ATOM 299 C ALA A 19 -9.599 2.725 -4.185 1.00 62.23 C ATOM 300 O ALA A 19 -9.455 2.437 -2.999 1.00 4.54 O ATOM 301 CB ALA A 19 -11.530 1.355 -4.944 1.00 41.10 C ATOM 0 H ALA A 19 -9.530 -0.080 -4.231 1.00 33.42 H new ATOM 0 HA ALA A 19 -9.957 2.066 -6.189 1.00 31.31 H new ATOM 0 HB1 ALA A 19 -12.129 2.257 -5.069 1.00 41.10 H new ATOM 0 HB2 ALA A 19 -11.852 0.603 -5.665 1.00 41.10 H new ATOM 0 HB3 ALA A 19 -11.662 0.969 -3.933 1.00 41.10 H new ATOM 307 N ARG A 20 -9.371 3.929 -4.654 1.00 30.04 N ATOM 308 CA ARG A 20 -8.927 5.007 -3.785 1.00 51.10 C ATOM 309 C ARG A 20 -10.060 5.419 -2.840 1.00 72.11 C ATOM 310 O ARG A 20 -9.839 6.020 -1.787 1.00 51.11 O ATOM 311 CB ARG A 20 -8.434 6.184 -4.613 1.00 2.21 C ATOM 312 CG ARG A 20 -7.816 7.315 -3.810 1.00 43.00 C ATOM 313 CD ARG A 20 -7.251 8.347 -4.744 1.00 23.03 C ATOM 314 NE ARG A 20 -6.573 9.445 -4.061 1.00 14.31 N ATOM 315 CZ ARG A 20 -6.044 10.491 -4.697 1.00 64.03 C ATOM 316 NH1 ARG A 20 -6.152 10.587 -6.018 1.00 72.45 N ATOM 317 NH2 ARG A 20 -5.420 11.437 -4.017 1.00 72.34 N ATOM 0 H ARG A 20 -9.484 4.193 -5.633 1.00 30.04 H new ATOM 0 HA ARG A 20 -8.092 4.658 -3.177 1.00 51.10 H new ATOM 0 HB2 ARG A 20 -7.697 5.822 -5.330 1.00 2.21 H new ATOM 0 HB3 ARG A 20 -9.271 6.581 -5.188 1.00 2.21 H new ATOM 0 HG2 ARG A 20 -8.567 7.768 -3.163 1.00 43.00 H new ATOM 0 HG3 ARG A 20 -7.030 6.927 -3.162 1.00 43.00 H new ATOM 0 HD2 ARG A 20 -6.549 7.864 -5.424 1.00 23.03 H new ATOM 0 HD3 ARG A 20 -8.058 8.753 -5.355 1.00 23.03 H new ATOM 0 HE ARG A 20 -6.500 9.410 -3.044 1.00 14.31 H new ATOM 0 HH11 ARG A 20 -6.639 9.861 -6.544 1.00 72.45 H new ATOM 0 HH12 ARG A 20 -5.748 11.386 -6.506 1.00 72.45 H new ATOM 0 HH21 ARG A 20 -5.342 11.369 -3.002 1.00 72.34 H new ATOM 0 HH22 ARG A 20 -5.017 12.236 -4.507 1.00 72.34 H new ATOM 331 N ALA A 21 -11.271 5.067 -3.219 1.00 12.45 N ATOM 332 CA ALA A 21 -12.432 5.303 -2.393 1.00 13.41 C ATOM 333 C ALA A 21 -12.503 4.263 -1.265 1.00 74.34 C ATOM 334 O ALA A 21 -13.262 4.428 -0.311 1.00 12.25 O ATOM 335 CB ALA A 21 -13.698 5.257 -3.236 1.00 25.21 C ATOM 0 H ALA A 21 -11.476 4.610 -4.108 1.00 12.45 H new ATOM 0 HA ALA A 21 -12.347 6.294 -1.947 1.00 13.41 H new ATOM 0 HB1 ALA A 21 -14.565 5.436 -2.600 1.00 25.21 H new ATOM 0 HB2 ALA A 21 -13.649 6.025 -4.008 1.00 25.21 H new ATOM 0 HB3 ALA A 21 -13.788 4.277 -3.704 1.00 25.21 H new ATOM 341 N ASN A 22 -11.697 3.197 -1.378 1.00 14.33 N ATOM 342 CA ASN A 22 -11.696 2.134 -0.385 1.00 72.44 C ATOM 343 C ASN A 22 -10.436 2.196 0.483 1.00 52.31 C ATOM 344 O ASN A 22 -10.271 1.421 1.394 1.00 33.22 O ATOM 345 CB ASN A 22 -11.781 0.766 -1.054 1.00 42.45 C ATOM 346 CG ASN A 22 -11.992 -0.380 -0.056 1.00 2.33 C ATOM 347 OD1 ASN A 22 -12.654 -0.232 0.988 1.00 4.35 O ATOM 348 ND2 ASN A 22 -11.382 -1.484 -0.327 1.00 60.23 N ATOM 0 H ASN A 22 -11.043 3.056 -2.148 1.00 14.33 H new ATOM 0 HA ASN A 22 -12.571 2.278 0.248 1.00 72.44 H new ATOM 0 HB2 ASN A 22 -12.601 0.770 -1.772 1.00 42.45 H new ATOM 0 HB3 ASN A 22 -10.865 0.586 -1.617 1.00 42.45 H new ATOM 0 HD21 ASN A 22 -11.434 -2.268 0.323 1.00 60.23 H new ATOM 0 HD22 ASN A 22 -10.848 -1.573 -1.191 1.00 60.23 H new ATOM 355 N VAL A 23 -9.545 3.111 0.208 1.00 62.42 N ATOM 356 CA VAL A 23 -8.361 3.205 1.029 1.00 72.25 C ATOM 357 C VAL A 23 -8.541 4.223 2.159 1.00 11.14 C ATOM 358 O VAL A 23 -8.926 5.380 1.926 1.00 12.41 O ATOM 359 CB VAL A 23 -7.076 3.499 0.209 1.00 12.22 C ATOM 360 CG1 VAL A 23 -7.175 4.808 -0.557 1.00 54.01 C ATOM 361 CG2 VAL A 23 -5.885 3.521 1.124 1.00 65.20 C ATOM 0 H VAL A 23 -9.609 3.785 -0.555 1.00 62.42 H new ATOM 0 HA VAL A 23 -8.224 2.221 1.477 1.00 72.25 H new ATOM 0 HB VAL A 23 -6.960 2.702 -0.526 1.00 12.22 H new ATOM 0 HG11 VAL A 23 -6.254 4.973 -1.116 1.00 54.01 H new ATOM 0 HG12 VAL A 23 -8.016 4.762 -1.249 1.00 54.01 H new ATOM 0 HG13 VAL A 23 -7.326 5.629 0.144 1.00 54.01 H new ATOM 0 HG21 VAL A 23 -4.985 3.728 0.545 1.00 65.20 H new ATOM 0 HG22 VAL A 23 -6.019 4.298 1.877 1.00 65.20 H new ATOM 0 HG23 VAL A 23 -5.786 2.553 1.616 1.00 65.20 H new ATOM 371 N LYS A 24 -8.307 3.788 3.387 1.00 45.32 N ATOM 372 CA LYS A 24 -8.410 4.684 4.504 1.00 73.24 C ATOM 373 C LYS A 24 -7.112 5.424 4.724 1.00 63.23 C ATOM 374 O LYS A 24 -7.116 6.630 4.950 1.00 63.42 O ATOM 375 CB LYS A 24 -8.907 4.005 5.792 1.00 2.52 C ATOM 376 CG LYS A 24 -8.020 2.940 6.402 1.00 74.54 C ATOM 377 CD LYS A 24 -8.676 2.343 7.651 1.00 43.43 C ATOM 378 CE LYS A 24 -9.051 3.432 8.662 1.00 41.00 C ATOM 379 NZ LYS A 24 -9.649 2.882 9.899 1.00 3.25 N ATOM 0 H LYS A 24 -8.048 2.830 3.624 1.00 45.32 H new ATOM 0 HA LYS A 24 -9.179 5.412 4.245 1.00 73.24 H new ATOM 0 HB2 LYS A 24 -9.068 4.780 6.541 1.00 2.52 H new ATOM 0 HB3 LYS A 24 -9.878 3.556 5.584 1.00 2.52 H new ATOM 0 HG2 LYS A 24 -7.833 2.153 5.672 1.00 74.54 H new ATOM 0 HG3 LYS A 24 -7.053 3.370 6.663 1.00 74.54 H new ATOM 0 HD2 LYS A 24 -9.569 1.788 7.364 1.00 43.43 H new ATOM 0 HD3 LYS A 24 -7.994 1.631 8.117 1.00 43.43 H new ATOM 0 HE2 LYS A 24 -8.161 4.006 8.918 1.00 41.00 H new ATOM 0 HE3 LYS A 24 -9.755 4.124 8.200 1.00 41.00 H new ATOM 0 HZ1 LYS A 24 -9.883 3.661 10.547 1.00 3.25 H new ATOM 0 HZ2 LYS A 24 -10.514 2.356 9.662 1.00 3.25 H new ATOM 0 HZ3 LYS A 24 -8.970 2.242 10.358 1.00 3.25 H new ATOM 393 N HIS A 25 -5.990 4.728 4.623 1.00 32.23 N ATOM 394 CA HIS A 25 -4.724 5.401 4.793 1.00 42.42 C ATOM 395 C HIS A 25 -3.756 5.043 3.693 1.00 32.05 C ATOM 396 O HIS A 25 -3.641 3.874 3.324 1.00 22.13 O ATOM 397 CB HIS A 25 -4.082 5.213 6.215 1.00 70.23 C ATOM 398 CG HIS A 25 -3.473 3.896 6.613 1.00 1.54 C ATOM 399 ND1 HIS A 25 -2.820 3.747 7.804 1.00 34.35 N ATOM 400 CD2 HIS A 25 -3.344 2.718 5.981 1.00 72.13 C ATOM 401 CE1 HIS A 25 -2.317 2.548 7.885 1.00 52.31 C ATOM 402 NE2 HIS A 25 -2.618 1.894 6.791 1.00 25.13 N ATOM 0 H HIS A 25 -5.934 3.728 4.430 1.00 32.23 H new ATOM 0 HA HIS A 25 -4.948 6.465 4.718 1.00 42.42 H new ATOM 0 HB2 HIS A 25 -3.305 5.971 6.319 1.00 70.23 H new ATOM 0 HB3 HIS A 25 -4.854 5.445 6.949 1.00 70.23 H new ATOM 0 HD2 HIS A 25 -3.742 2.468 5.009 1.00 72.13 H new ATOM 0 HE1 HIS A 25 -1.747 2.158 8.716 1.00 52.31 H new ATOM 0 HE2 HIS A 25 -2.354 0.932 6.580 1.00 25.13 H new ATOM 411 N LEU A 26 -3.105 6.035 3.160 1.00 62.31 N ATOM 412 CA LEU A 26 -2.089 5.847 2.163 1.00 1.12 C ATOM 413 C LEU A 26 -0.751 6.165 2.738 1.00 1.43 C ATOM 414 O LEU A 26 -0.559 7.215 3.366 1.00 62.40 O ATOM 415 CB LEU A 26 -2.347 6.694 0.908 1.00 35.23 C ATOM 416 CG LEU A 26 -3.488 6.233 0.006 1.00 42.10 C ATOM 417 CD1 LEU A 26 -3.726 7.241 -1.103 1.00 53.22 C ATOM 418 CD2 LEU A 26 -3.141 4.882 -0.604 1.00 20.30 C ATOM 0 H LEU A 26 -3.266 7.011 3.408 1.00 62.31 H new ATOM 0 HA LEU A 26 -2.115 4.801 1.856 1.00 1.12 H new ATOM 0 HB2 LEU A 26 -2.551 7.718 1.222 1.00 35.23 H new ATOM 0 HB3 LEU A 26 -1.432 6.718 0.317 1.00 35.23 H new ATOM 0 HG LEU A 26 -4.395 6.146 0.604 1.00 42.10 H new ATOM 0 HD11 LEU A 26 -4.543 6.898 -1.738 1.00 53.22 H new ATOM 0 HD12 LEU A 26 -3.986 8.206 -0.668 1.00 53.22 H new ATOM 0 HD13 LEU A 26 -2.821 7.344 -1.701 1.00 53.22 H new ATOM 0 HD21 LEU A 26 -3.957 4.553 -1.248 1.00 20.30 H new ATOM 0 HD22 LEU A 26 -2.228 4.972 -1.192 1.00 20.30 H new ATOM 0 HD23 LEU A 26 -2.990 4.152 0.191 1.00 20.30 H new ATOM 430 N LYS A 27 0.151 5.264 2.559 1.00 23.11 N ATOM 431 CA LYS A 27 1.482 5.396 3.020 1.00 71.41 C ATOM 432 C LYS A 27 2.393 4.800 1.986 1.00 62.12 C ATOM 433 O LYS A 27 2.228 3.658 1.613 1.00 31.22 O ATOM 434 CB LYS A 27 1.610 4.638 4.353 1.00 14.24 C ATOM 435 CG LYS A 27 3.006 4.588 4.942 1.00 24.10 C ATOM 436 CD LYS A 27 3.001 3.896 6.297 1.00 71.13 C ATOM 437 CE LYS A 27 2.406 2.489 6.221 1.00 5.31 C ATOM 438 NZ LYS A 27 2.446 1.801 7.521 1.00 74.14 N ATOM 0 H LYS A 27 -0.027 4.386 2.071 1.00 23.11 H new ATOM 0 HA LYS A 27 1.749 6.441 3.178 1.00 71.41 H new ATOM 0 HB2 LYS A 27 0.944 5.102 5.080 1.00 14.24 H new ATOM 0 HB3 LYS A 27 1.260 3.616 4.206 1.00 14.24 H new ATOM 0 HG2 LYS A 27 3.673 4.059 4.262 1.00 24.10 H new ATOM 0 HG3 LYS A 27 3.396 5.600 5.048 1.00 24.10 H new ATOM 0 HD2 LYS A 27 4.021 3.838 6.678 1.00 71.13 H new ATOM 0 HD3 LYS A 27 2.429 4.493 7.007 1.00 71.13 H new ATOM 0 HE2 LYS A 27 1.374 2.550 5.875 1.00 5.31 H new ATOM 0 HE3 LYS A 27 2.955 1.903 5.484 1.00 5.31 H new ATOM 0 HZ1 LYS A 27 2.033 0.851 7.424 1.00 74.14 H new ATOM 0 HZ2 LYS A 27 3.432 1.719 7.840 1.00 74.14 H new ATOM 0 HZ3 LYS A 27 1.901 2.346 8.219 1.00 74.14 H new ATOM 452 N ILE A 28 3.326 5.554 1.511 1.00 75.12 N ATOM 453 CA ILE A 28 4.252 5.034 0.549 1.00 61.24 C ATOM 454 C ILE A 28 5.627 5.025 1.157 1.00 45.41 C ATOM 455 O ILE A 28 6.108 6.050 1.642 1.00 23.22 O ATOM 456 CB ILE A 28 4.237 5.822 -0.780 1.00 54.24 C ATOM 457 CG1 ILE A 28 2.827 5.810 -1.385 1.00 41.22 C ATOM 458 CG2 ILE A 28 5.228 5.216 -1.758 1.00 51.42 C ATOM 459 CD1 ILE A 28 2.712 6.498 -2.730 1.00 32.23 C ATOM 0 H ILE A 28 3.472 6.530 1.769 1.00 75.12 H new ATOM 0 HA ILE A 28 3.949 4.018 0.296 1.00 61.24 H new ATOM 0 HB ILE A 28 4.526 6.854 -0.579 1.00 54.24 H new ATOM 0 HG12 ILE A 28 2.500 4.776 -1.492 1.00 41.22 H new ATOM 0 HG13 ILE A 28 2.142 6.290 -0.686 1.00 41.22 H new ATOM 0 HG21 ILE A 28 5.209 5.779 -2.691 1.00 51.42 H new ATOM 0 HG22 ILE A 28 6.230 5.254 -1.331 1.00 51.42 H new ATOM 0 HG23 ILE A 28 4.957 4.179 -1.955 1.00 51.42 H new ATOM 0 HD11 ILE A 28 1.682 6.441 -3.081 1.00 32.23 H new ATOM 0 HD12 ILE A 28 3.004 7.543 -2.630 1.00 32.23 H new ATOM 0 HD13 ILE A 28 3.368 6.005 -3.448 1.00 32.23 H new ATOM 471 N LEU A 29 6.233 3.879 1.163 1.00 62.42 N ATOM 472 CA LEU A 29 7.499 3.691 1.795 1.00 60.02 C ATOM 473 C LEU A 29 8.579 3.362 0.769 1.00 45.42 C ATOM 474 O LEU A 29 8.578 2.267 0.171 1.00 31.21 O ATOM 475 CB LEU A 29 7.373 2.562 2.835 1.00 23.12 C ATOM 476 CG LEU A 29 8.611 2.246 3.673 1.00 4.45 C ATOM 477 CD1 LEU A 29 9.041 3.463 4.470 1.00 63.20 C ATOM 478 CD2 LEU A 29 8.324 1.084 4.609 1.00 22.03 C ATOM 0 H LEU A 29 5.857 3.039 0.724 1.00 62.42 H new ATOM 0 HA LEU A 29 7.794 4.615 2.293 1.00 60.02 H new ATOM 0 HB2 LEU A 29 6.560 2.818 3.515 1.00 23.12 H new ATOM 0 HB3 LEU A 29 7.077 1.652 2.313 1.00 23.12 H new ATOM 0 HG LEU A 29 9.423 1.969 3.000 1.00 4.45 H new ATOM 0 HD11 LEU A 29 9.924 3.218 5.060 1.00 63.20 H new ATOM 0 HD12 LEU A 29 9.276 4.280 3.788 1.00 63.20 H new ATOM 0 HD13 LEU A 29 8.233 3.766 5.135 1.00 63.20 H new ATOM 0 HD21 LEU A 29 9.212 0.866 5.202 1.00 22.03 H new ATOM 0 HD22 LEU A 29 7.500 1.346 5.273 1.00 22.03 H new ATOM 0 HD23 LEU A 29 8.053 0.204 4.025 1.00 22.03 H new ATOM 490 N ASN A 30 9.476 4.304 0.530 1.00 72.45 N ATOM 491 CA ASN A 30 10.600 4.035 -0.346 1.00 32.00 C ATOM 492 C ASN A 30 11.720 3.452 0.475 1.00 71.41 C ATOM 493 O ASN A 30 12.217 4.076 1.421 1.00 60.44 O ATOM 494 CB ASN A 30 11.080 5.275 -1.172 1.00 41.13 C ATOM 495 CG ASN A 30 11.610 6.449 -0.351 1.00 61.33 C ATOM 496 OD1 ASN A 30 12.800 6.525 -0.030 1.00 43.42 O ATOM 497 ND2 ASN A 30 10.756 7.387 -0.048 1.00 32.12 N ATOM 0 H ASN A 30 9.449 5.245 0.923 1.00 72.45 H new ATOM 0 HA ASN A 30 10.267 3.320 -1.098 1.00 32.00 H new ATOM 0 HB2 ASN A 30 11.863 4.951 -1.858 1.00 41.13 H new ATOM 0 HB3 ASN A 30 10.248 5.627 -1.782 1.00 41.13 H new ATOM 0 HD21 ASN A 30 11.065 8.211 0.468 1.00 32.12 H new ATOM 0 HD22 ASN A 30 9.779 7.297 -0.327 1.00 32.12 H new ATOM 504 N THR A 31 12.078 2.250 0.162 1.00 63.23 N ATOM 505 CA THR A 31 13.077 1.547 0.886 1.00 54.11 C ATOM 506 C THR A 31 14.406 1.604 0.100 1.00 73.12 C ATOM 507 O THR A 31 14.420 1.339 -1.083 1.00 61.24 O ATOM 508 CB THR A 31 12.596 0.101 1.075 1.00 34.13 C ATOM 509 OG1 THR A 31 11.325 0.104 1.736 1.00 54.44 O ATOM 510 CG2 THR A 31 13.549 -0.706 1.894 1.00 73.22 C ATOM 0 H THR A 31 11.677 1.724 -0.615 1.00 63.23 H new ATOM 0 HA THR A 31 13.248 1.995 1.865 1.00 54.11 H new ATOM 0 HB THR A 31 12.524 -0.349 0.085 1.00 34.13 H new ATOM 0 HG1 THR A 31 11.461 0.068 2.706 1.00 54.44 H new ATOM 0 HG21 THR A 31 13.167 -1.721 2.001 1.00 73.22 H new ATOM 0 HG22 THR A 31 14.520 -0.734 1.400 1.00 73.22 H new ATOM 0 HG23 THR A 31 13.656 -0.253 2.880 1.00 73.22 H new ATOM 518 N PRO A 32 15.529 1.958 0.760 1.00 53.41 N ATOM 519 CA PRO A 32 16.845 2.139 0.096 1.00 62.04 C ATOM 520 C PRO A 32 17.362 0.898 -0.650 1.00 53.52 C ATOM 521 O PRO A 32 17.982 1.010 -1.718 1.00 12.12 O ATOM 522 CB PRO A 32 17.790 2.477 1.254 1.00 35.02 C ATOM 523 CG PRO A 32 16.907 2.980 2.337 1.00 73.14 C ATOM 524 CD PRO A 32 15.621 2.227 2.206 1.00 65.23 C ATOM 0 HA PRO A 32 16.773 2.903 -0.678 1.00 62.04 H new ATOM 0 HB2 PRO A 32 18.349 1.598 1.577 1.00 35.02 H new ATOM 0 HB3 PRO A 32 18.521 3.230 0.960 1.00 35.02 H new ATOM 0 HG2 PRO A 32 17.358 2.815 3.316 1.00 73.14 H new ATOM 0 HG3 PRO A 32 16.742 4.053 2.239 1.00 73.14 H new ATOM 0 HD2 PRO A 32 15.635 1.304 2.786 1.00 65.23 H new ATOM 0 HD3 PRO A 32 14.774 2.814 2.560 1.00 65.23 H new ATOM 532 N ASN A 33 17.125 -0.270 -0.102 1.00 11.14 N ATOM 533 CA ASN A 33 17.631 -1.498 -0.718 1.00 62.40 C ATOM 534 C ASN A 33 16.532 -2.313 -1.365 1.00 22.35 C ATOM 535 O ASN A 33 16.779 -3.385 -1.911 1.00 61.03 O ATOM 536 CB ASN A 33 18.414 -2.349 0.297 1.00 1.25 C ATOM 537 CG ASN A 33 19.673 -1.659 0.795 1.00 0.13 C ATOM 538 OD1 ASN A 33 20.757 -1.809 0.214 1.00 63.13 O ATOM 539 ND2 ASN A 33 19.549 -0.900 1.852 1.00 62.34 N ATOM 0 H ASN A 33 16.593 -0.408 0.758 1.00 11.14 H new ATOM 0 HA ASN A 33 18.314 -1.191 -1.510 1.00 62.40 H new ATOM 0 HB2 ASN A 33 17.770 -2.578 1.146 1.00 1.25 H new ATOM 0 HB3 ASN A 33 18.684 -3.299 -0.164 1.00 1.25 H new ATOM 0 HD21 ASN A 33 20.361 -0.408 2.224 1.00 62.34 H new ATOM 0 HD22 ASN A 33 18.640 -0.800 2.304 1.00 62.34 H new ATOM 546 N CYS A 34 15.339 -1.793 -1.337 1.00 14.44 N ATOM 547 CA CYS A 34 14.203 -2.471 -1.844 1.00 13.33 C ATOM 548 C CYS A 34 13.399 -1.593 -2.773 1.00 60.55 C ATOM 549 O CYS A 34 13.743 -0.426 -2.995 1.00 35.43 O ATOM 550 CB CYS A 34 13.357 -2.980 -0.714 1.00 15.21 C ATOM 551 SG CYS A 34 14.128 -4.298 0.262 1.00 11.30 S ATOM 0 H CYS A 34 15.135 -0.870 -0.953 1.00 14.44 H new ATOM 0 HA CYS A 34 14.551 -3.322 -2.429 1.00 13.33 H new ATOM 0 HB2 CYS A 34 13.116 -2.148 -0.053 1.00 15.21 H new ATOM 0 HB3 CYS A 34 12.414 -3.348 -1.119 1.00 15.21 H new ATOM 556 N ALA A 35 12.379 -2.167 -3.355 1.00 2.43 N ATOM 557 CA ALA A 35 11.512 -1.466 -4.262 1.00 20.32 C ATOM 558 C ALA A 35 10.626 -0.477 -3.524 1.00 2.15 C ATOM 559 O ALA A 35 10.611 -0.424 -2.283 1.00 74.21 O ATOM 560 CB ALA A 35 10.658 -2.451 -5.033 1.00 33.34 C ATOM 0 H ALA A 35 12.125 -3.144 -3.210 1.00 2.43 H new ATOM 0 HA ALA A 35 12.136 -0.907 -4.959 1.00 20.32 H new ATOM 0 HB1 ALA A 35 10.005 -1.909 -5.717 1.00 33.34 H new ATOM 0 HB2 ALA A 35 11.301 -3.123 -5.601 1.00 33.34 H new ATOM 0 HB3 ALA A 35 10.052 -3.031 -4.336 1.00 33.34 H new ATOM 566 N LEU A 36 9.897 0.286 -4.282 1.00 41.34 N ATOM 567 CA LEU A 36 8.991 1.265 -3.757 1.00 21.41 C ATOM 568 C LEU A 36 7.721 0.547 -3.312 1.00 4.11 C ATOM 569 O LEU A 36 6.965 0.024 -4.147 1.00 11.21 O ATOM 570 CB LEU A 36 8.729 2.334 -4.870 1.00 23.31 C ATOM 571 CG LEU A 36 7.837 3.566 -4.565 1.00 13.41 C ATOM 572 CD1 LEU A 36 6.372 3.205 -4.418 1.00 64.14 C ATOM 573 CD2 LEU A 36 8.337 4.289 -3.328 1.00 75.34 C ATOM 0 H LEU A 36 9.915 0.245 -5.301 1.00 41.34 H new ATOM 0 HA LEU A 36 9.397 1.785 -2.889 1.00 21.41 H new ATOM 0 HB2 LEU A 36 9.700 2.709 -5.195 1.00 23.31 H new ATOM 0 HB3 LEU A 36 8.286 1.815 -5.720 1.00 23.31 H new ATOM 0 HG LEU A 36 7.911 4.233 -5.424 1.00 13.41 H new ATOM 0 HD11 LEU A 36 5.795 4.105 -4.205 1.00 64.14 H new ATOM 0 HD12 LEU A 36 6.014 2.754 -5.344 1.00 64.14 H new ATOM 0 HD13 LEU A 36 6.252 2.496 -3.599 1.00 64.14 H new ATOM 0 HD21 LEU A 36 7.700 5.151 -3.128 1.00 75.34 H new ATOM 0 HD22 LEU A 36 8.309 3.612 -2.475 1.00 75.34 H new ATOM 0 HD23 LEU A 36 9.361 4.625 -3.492 1.00 75.34 H new ATOM 585 N GLN A 37 7.512 0.459 -2.011 1.00 74.55 N ATOM 586 CA GLN A 37 6.319 -0.205 -1.509 1.00 64.11 C ATOM 587 C GLN A 37 5.261 0.781 -1.073 1.00 63.24 C ATOM 588 O GLN A 37 5.516 1.674 -0.272 1.00 64.12 O ATOM 589 CB GLN A 37 6.642 -1.156 -0.372 1.00 54.33 C ATOM 590 CG GLN A 37 7.572 -2.280 -0.768 1.00 11.13 C ATOM 591 CD GLN A 37 8.859 -2.279 0.010 1.00 42.21 C ATOM 592 OE1 GLN A 37 9.452 -3.329 0.248 1.00 62.14 O ATOM 593 NE2 GLN A 37 9.311 -1.133 0.390 1.00 1.13 N ATOM 0 H GLN A 37 8.137 0.829 -1.295 1.00 74.55 H new ATOM 0 HA GLN A 37 5.920 -0.784 -2.341 1.00 64.11 H new ATOM 0 HB2 GLN A 37 7.094 -0.593 0.444 1.00 54.33 H new ATOM 0 HB3 GLN A 37 5.714 -1.581 0.010 1.00 54.33 H new ATOM 0 HG2 GLN A 37 7.065 -3.233 -0.620 1.00 11.13 H new ATOM 0 HG3 GLN A 37 7.797 -2.201 -1.832 1.00 11.13 H new ATOM 0 HE21 GLN A 37 8.791 -0.283 0.174 1.00 1.13 H new ATOM 0 HE22 GLN A 37 10.189 -1.077 0.907 1.00 1.13 H new ATOM 602 N ILE A 38 4.090 0.619 -1.602 1.00 24.53 N ATOM 603 CA ILE A 38 2.957 1.432 -1.238 1.00 62.40 C ATOM 604 C ILE A 38 2.100 0.622 -0.283 1.00 75.22 C ATOM 605 O ILE A 38 1.834 -0.538 -0.549 1.00 11.12 O ATOM 606 CB ILE A 38 2.122 1.773 -2.488 1.00 40.23 C ATOM 607 CG1 ILE A 38 2.977 2.500 -3.523 1.00 54.21 C ATOM 608 CG2 ILE A 38 0.879 2.595 -2.121 1.00 31.53 C ATOM 609 CD1 ILE A 38 2.274 2.757 -4.827 1.00 20.01 C ATOM 0 H ILE A 38 3.884 -0.088 -2.308 1.00 24.53 H new ATOM 0 HA ILE A 38 3.296 2.360 -0.778 1.00 62.40 H new ATOM 0 HB ILE A 38 1.777 0.838 -2.928 1.00 40.23 H new ATOM 0 HG12 ILE A 38 3.304 3.452 -3.105 1.00 54.21 H new ATOM 0 HG13 ILE A 38 3.874 1.912 -3.716 1.00 54.21 H new ATOM 0 HG21 ILE A 38 0.311 2.819 -3.024 1.00 31.53 H new ATOM 0 HG22 ILE A 38 0.255 2.024 -1.433 1.00 31.53 H new ATOM 0 HG23 ILE A 38 1.186 3.526 -1.645 1.00 31.53 H new ATOM 0 HD11 ILE A 38 2.948 3.277 -5.508 1.00 20.01 H new ATOM 0 HD12 ILE A 38 1.971 1.808 -5.270 1.00 20.01 H new ATOM 0 HD13 ILE A 38 1.392 3.373 -4.650 1.00 20.01 H new ATOM 621 N VAL A 39 1.700 1.208 0.808 1.00 44.44 N ATOM 622 CA VAL A 39 0.876 0.532 1.790 1.00 44.51 C ATOM 623 C VAL A 39 -0.458 1.253 1.930 1.00 21.13 C ATOM 624 O VAL A 39 -0.510 2.485 2.055 1.00 44.22 O ATOM 625 CB VAL A 39 1.567 0.468 3.179 1.00 53.44 C ATOM 626 CG1 VAL A 39 0.686 -0.242 4.206 1.00 22.44 C ATOM 627 CG2 VAL A 39 2.930 -0.201 3.083 1.00 25.13 C ATOM 0 H VAL A 39 1.932 2.171 1.050 1.00 44.44 H new ATOM 0 HA VAL A 39 0.720 -0.488 1.439 1.00 44.51 H new ATOM 0 HB VAL A 39 1.716 1.493 3.518 1.00 53.44 H new ATOM 0 HG11 VAL A 39 1.199 -0.270 5.168 1.00 22.44 H new ATOM 0 HG12 VAL A 39 -0.256 0.297 4.312 1.00 22.44 H new ATOM 0 HG13 VAL A 39 0.486 -1.260 3.872 1.00 22.44 H new ATOM 0 HG21 VAL A 39 3.391 -0.232 4.070 1.00 25.13 H new ATOM 0 HG22 VAL A 39 2.811 -1.217 2.706 1.00 25.13 H new ATOM 0 HG23 VAL A 39 3.566 0.366 2.403 1.00 25.13 H new ATOM 637 N ALA A 40 -1.515 0.497 1.909 1.00 33.25 N ATOM 638 CA ALA A 40 -2.841 1.023 2.024 1.00 25.31 C ATOM 639 C ALA A 40 -3.662 0.126 2.913 1.00 42.02 C ATOM 640 O ALA A 40 -3.370 -1.056 3.042 1.00 45.30 O ATOM 641 CB ALA A 40 -3.469 1.090 0.656 1.00 22.42 C ATOM 0 H ALA A 40 -1.479 -0.518 1.810 1.00 33.25 H new ATOM 0 HA ALA A 40 -2.803 2.022 2.457 1.00 25.31 H new ATOM 0 HB1 ALA A 40 -4.479 1.490 0.739 1.00 22.42 H new ATOM 0 HB2 ALA A 40 -2.873 1.739 0.014 1.00 22.42 H new ATOM 0 HB3 ALA A 40 -3.509 0.090 0.225 1.00 22.42 H new ATOM 647 N ARG A 41 -4.661 0.675 3.550 1.00 1.45 N ATOM 648 CA ARG A 41 -5.543 -0.146 4.338 1.00 73.22 C ATOM 649 C ARG A 41 -6.951 0.110 3.891 1.00 14.44 C ATOM 650 O ARG A 41 -7.360 1.265 3.782 1.00 34.25 O ATOM 651 CB ARG A 41 -5.385 0.057 5.860 1.00 24.05 C ATOM 652 CG ARG A 41 -6.037 -1.078 6.641 1.00 24.13 C ATOM 653 CD ARG A 41 -5.581 -1.182 8.092 1.00 42.13 C ATOM 654 NE ARG A 41 -5.890 -0.020 8.925 1.00 72.15 N ATOM 655 CZ ARG A 41 -5.963 -0.071 10.267 1.00 74.31 C ATOM 656 NH1 ARG A 41 -5.763 -1.218 10.902 1.00 70.32 N ATOM 657 NH2 ARG A 41 -6.221 1.024 10.969 1.00 60.01 N ATOM 0 H ARG A 41 -4.883 1.670 3.541 1.00 1.45 H new ATOM 0 HA ARG A 41 -5.275 -1.189 4.170 1.00 73.22 H new ATOM 0 HB2 ARG A 41 -4.326 0.114 6.113 1.00 24.05 H new ATOM 0 HB3 ARG A 41 -5.834 1.007 6.151 1.00 24.05 H new ATOM 0 HG2 ARG A 41 -7.118 -0.943 6.621 1.00 24.13 H new ATOM 0 HG3 ARG A 41 -5.824 -2.020 6.137 1.00 24.13 H new ATOM 0 HD2 ARG A 41 -6.042 -2.063 8.539 1.00 42.13 H new ATOM 0 HD3 ARG A 41 -4.503 -1.344 8.107 1.00 42.13 H new ATOM 0 HE ARG A 41 -6.059 0.874 8.465 1.00 72.15 H new ATOM 0 HH11 ARG A 41 -5.553 -2.064 10.373 1.00 70.32 H new ATOM 0 HH12 ARG A 41 -5.819 -1.254 11.920 1.00 70.32 H new ATOM 0 HH21 ARG A 41 -6.366 1.914 10.491 1.00 60.01 H new ATOM 0 HH22 ARG A 41 -6.275 0.977 11.986 1.00 60.01 H new ATOM 671 N LEU A 42 -7.667 -0.944 3.610 1.00 54.42 N ATOM 672 CA LEU A 42 -9.010 -0.848 3.080 1.00 23.22 C ATOM 673 C LEU A 42 -10.000 -0.388 4.154 1.00 51.23 C ATOM 674 O LEU A 42 -9.936 -0.824 5.293 1.00 50.22 O ATOM 675 CB LEU A 42 -9.441 -2.195 2.470 1.00 71.43 C ATOM 676 CG LEU A 42 -8.501 -2.789 1.402 1.00 42.51 C ATOM 677 CD1 LEU A 42 -9.056 -4.091 0.851 1.00 71.35 C ATOM 678 CD2 LEU A 42 -8.220 -1.796 0.281 1.00 61.21 C ATOM 0 H LEU A 42 -7.339 -1.901 3.741 1.00 54.42 H new ATOM 0 HA LEU A 42 -9.012 -0.096 2.291 1.00 23.22 H new ATOM 0 HB2 LEU A 42 -9.544 -2.920 3.278 1.00 71.43 H new ATOM 0 HB3 LEU A 42 -10.429 -2.070 2.026 1.00 71.43 H new ATOM 0 HG LEU A 42 -7.550 -3.005 1.890 1.00 42.51 H new ATOM 0 HD11 LEU A 42 -8.374 -4.488 0.100 1.00 71.35 H new ATOM 0 HD12 LEU A 42 -9.164 -4.812 1.661 1.00 71.35 H new ATOM 0 HD13 LEU A 42 -10.030 -3.908 0.396 1.00 71.35 H new ATOM 0 HD21 LEU A 42 -7.554 -2.253 -0.451 1.00 61.21 H new ATOM 0 HD22 LEU A 42 -9.157 -1.519 -0.203 1.00 61.21 H new ATOM 0 HD23 LEU A 42 -7.748 -0.905 0.694 1.00 61.21 H new ATOM 690 N LYS A 43 -10.885 0.493 3.766 1.00 22.22 N ATOM 691 CA LYS A 43 -11.896 1.067 4.626 1.00 13.01 C ATOM 692 C LYS A 43 -12.924 0.045 5.053 1.00 21.13 C ATOM 693 O LYS A 43 -13.145 -0.164 6.248 1.00 14.44 O ATOM 694 CB LYS A 43 -12.592 2.215 3.889 1.00 24.32 C ATOM 695 CG LYS A 43 -11.685 3.392 3.602 1.00 30.24 C ATOM 696 CD LYS A 43 -12.305 4.377 2.630 1.00 60.03 C ATOM 697 CE LYS A 43 -13.622 4.906 3.114 1.00 31.42 C ATOM 698 NZ LYS A 43 -14.217 5.861 2.156 1.00 53.14 N ATOM 0 H LYS A 43 -10.926 0.845 2.810 1.00 22.22 H new ATOM 0 HA LYS A 43 -11.402 1.434 5.526 1.00 13.01 H new ATOM 0 HB2 LYS A 43 -12.995 1.840 2.948 1.00 24.32 H new ATOM 0 HB3 LYS A 43 -13.439 2.557 4.484 1.00 24.32 H new ATOM 0 HG2 LYS A 43 -11.453 3.904 4.536 1.00 30.24 H new ATOM 0 HG3 LYS A 43 -10.741 3.029 3.195 1.00 30.24 H new ATOM 0 HD2 LYS A 43 -11.618 5.209 2.472 1.00 60.03 H new ATOM 0 HD3 LYS A 43 -12.444 3.891 1.664 1.00 60.03 H new ATOM 0 HE2 LYS A 43 -14.310 4.076 3.274 1.00 31.42 H new ATOM 0 HE3 LYS A 43 -13.484 5.396 4.078 1.00 31.42 H new ATOM 0 HZ1 LYS A 43 -15.247 5.893 2.293 1.00 53.14 H new ATOM 0 HZ2 LYS A 43 -13.817 6.808 2.316 1.00 53.14 H new ATOM 0 HZ3 LYS A 43 -14.006 5.555 1.185 1.00 53.14 H new ATOM 712 N ASN A 44 -13.553 -0.588 4.094 1.00 42.22 N ATOM 713 CA ASN A 44 -14.626 -1.516 4.407 1.00 41.40 C ATOM 714 C ASN A 44 -14.097 -2.875 4.869 1.00 23.24 C ATOM 715 O ASN A 44 -14.655 -3.490 5.776 1.00 21.32 O ATOM 716 CB ASN A 44 -15.581 -1.672 3.211 1.00 1.05 C ATOM 717 CG ASN A 44 -16.807 -2.533 3.518 1.00 52.32 C ATOM 718 OD1 ASN A 44 -17.281 -2.589 4.649 1.00 74.23 O ATOM 719 ND2 ASN A 44 -17.329 -3.191 2.522 1.00 61.02 N ATOM 0 H ASN A 44 -13.349 -0.484 3.100 1.00 42.22 H new ATOM 0 HA ASN A 44 -15.186 -1.092 5.241 1.00 41.40 H new ATOM 0 HB2 ASN A 44 -15.912 -0.685 2.889 1.00 1.05 H new ATOM 0 HB3 ASN A 44 -15.036 -2.114 2.376 1.00 1.05 H new ATOM 0 HD21 ASN A 44 -18.154 -3.772 2.671 1.00 61.02 H new ATOM 0 HD22 ASN A 44 -16.913 -3.125 1.593 1.00 61.02 H new ATOM 726 N ASN A 45 -13.005 -3.333 4.280 1.00 64.13 N ATOM 727 CA ASN A 45 -12.508 -4.666 4.623 1.00 54.01 C ATOM 728 C ASN A 45 -11.408 -4.650 5.713 1.00 72.42 C ATOM 729 O ASN A 45 -11.169 -5.667 6.370 1.00 74.12 O ATOM 730 CB ASN A 45 -12.110 -5.461 3.364 1.00 71.11 C ATOM 731 CG ASN A 45 -11.798 -6.927 3.642 1.00 22.44 C ATOM 732 OD1 ASN A 45 -10.550 -7.270 3.733 1.00 40.21 O flip ATOM 733 ND2 ASN A 45 -12.702 -7.755 3.705 1.00 31.15 N flip ATOM 0 H ASN A 45 -12.457 -2.826 3.584 1.00 64.13 H new ATOM 0 HA ASN A 45 -13.339 -5.202 5.082 1.00 54.01 H new ATOM 0 HB2 ASN A 45 -12.919 -5.402 2.636 1.00 71.11 H new ATOM 0 HB3 ASN A 45 -11.237 -4.992 2.909 1.00 71.11 H new ATOM 0 HD21 ASN A 45 -13.674 -7.455 3.630 1.00 31.15 H new ATOM 0 HD22 ASN A 45 -12.481 -8.743 3.832 1.00 31.15 H new ATOM 740 N ASN A 46 -10.747 -3.485 5.901 1.00 3.21 N ATOM 741 CA ASN A 46 -9.712 -3.276 6.982 1.00 0.12 C ATOM 742 C ASN A 46 -8.369 -3.985 6.706 1.00 63.44 C ATOM 743 O ASN A 46 -7.423 -3.866 7.482 1.00 11.31 O ATOM 744 CB ASN A 46 -10.311 -3.611 8.400 1.00 71.52 C ATOM 745 CG ASN A 46 -9.337 -3.476 9.578 1.00 64.12 C ATOM 746 OD1 ASN A 46 -9.194 -2.399 10.164 1.00 4.23 O ATOM 747 ND2 ASN A 46 -8.700 -4.567 9.955 1.00 61.34 N ATOM 0 H ASN A 46 -10.902 -2.660 5.322 1.00 3.21 H new ATOM 0 HA ASN A 46 -9.457 -2.216 6.974 1.00 0.12 H new ATOM 0 HB2 ASN A 46 -11.163 -2.955 8.579 1.00 71.52 H new ATOM 0 HB3 ASN A 46 -10.692 -4.632 8.382 1.00 71.52 H new ATOM 0 HD21 ASN A 46 -8.066 -4.537 10.753 1.00 61.34 H new ATOM 0 HD22 ASN A 46 -8.841 -5.441 9.448 1.00 61.34 H new ATOM 754 N ARG A 47 -8.250 -4.675 5.591 1.00 65.11 N ATOM 755 CA ARG A 47 -6.974 -5.292 5.295 1.00 0.01 C ATOM 756 C ARG A 47 -5.978 -4.300 4.850 1.00 71.41 C ATOM 757 O ARG A 47 -6.313 -3.290 4.218 1.00 73.44 O ATOM 758 CB ARG A 47 -7.027 -6.377 4.270 1.00 30.24 C ATOM 759 CG ARG A 47 -7.586 -7.682 4.722 1.00 60.34 C ATOM 760 CD ARG A 47 -7.424 -8.650 3.605 1.00 73.45 C ATOM 761 NE ARG A 47 -6.001 -8.872 3.279 1.00 74.34 N ATOM 762 CZ ARG A 47 -5.489 -8.876 2.030 1.00 14.23 C ATOM 763 NH1 ARG A 47 -6.285 -8.714 0.975 1.00 42.22 N ATOM 764 NH2 ARG A 47 -4.183 -9.037 1.844 1.00 10.14 N ATOM 0 H ARG A 47 -8.987 -4.820 4.901 1.00 65.11 H new ATOM 0 HA ARG A 47 -6.682 -5.743 6.243 1.00 0.01 H new ATOM 0 HB2 ARG A 47 -7.621 -6.023 3.427 1.00 30.24 H new ATOM 0 HB3 ARG A 47 -6.016 -6.547 3.899 1.00 30.24 H new ATOM 0 HG2 ARG A 47 -7.065 -8.034 5.613 1.00 60.34 H new ATOM 0 HG3 ARG A 47 -8.638 -7.577 4.988 1.00 60.34 H new ATOM 0 HD2 ARG A 47 -7.888 -9.599 3.875 1.00 73.45 H new ATOM 0 HD3 ARG A 47 -7.946 -8.279 2.723 1.00 73.45 H new ATOM 0 HE ARG A 47 -5.358 -9.034 4.054 1.00 74.34 H new ATOM 0 HH11 ARG A 47 -7.288 -8.586 1.108 1.00 42.22 H new ATOM 0 HH12 ARG A 47 -5.892 -8.718 0.034 1.00 42.22 H new ATOM 0 HH21 ARG A 47 -3.565 -9.158 2.646 1.00 10.14 H new ATOM 0 HH22 ARG A 47 -3.799 -9.040 0.899 1.00 10.14 H new ATOM 778 N GLN A 48 -4.778 -4.589 5.158 1.00 1.24 N ATOM 779 CA GLN A 48 -3.694 -3.801 4.791 1.00 12.11 C ATOM 780 C GLN A 48 -3.058 -4.459 3.601 1.00 54.41 C ATOM 781 O GLN A 48 -2.610 -5.606 3.676 1.00 51.41 O ATOM 782 CB GLN A 48 -2.726 -3.705 5.956 1.00 45.20 C ATOM 783 CG GLN A 48 -1.516 -2.920 5.660 1.00 51.34 C ATOM 784 CD GLN A 48 -0.581 -2.813 6.845 1.00 3.43 C ATOM 785 OE1 GLN A 48 -1.015 -2.807 8.002 1.00 21.32 O ATOM 786 NE2 GLN A 48 0.697 -2.740 6.582 1.00 24.15 N ATOM 0 H GLN A 48 -4.522 -5.417 5.695 1.00 1.24 H new ATOM 0 HA GLN A 48 -3.997 -2.786 4.534 1.00 12.11 H new ATOM 0 HB2 GLN A 48 -3.239 -3.257 6.807 1.00 45.20 H new ATOM 0 HB3 GLN A 48 -2.431 -4.711 6.255 1.00 45.20 H new ATOM 0 HG2 GLN A 48 -0.986 -3.379 4.825 1.00 51.34 H new ATOM 0 HG3 GLN A 48 -1.807 -1.919 5.341 1.00 51.34 H new ATOM 0 HE21 GLN A 48 1.020 -2.748 5.614 1.00 24.15 H new ATOM 0 HE22 GLN A 48 1.372 -2.675 7.344 1.00 24.15 H new ATOM 795 N VAL A 49 -3.047 -3.772 2.518 1.00 44.45 N ATOM 796 CA VAL A 49 -2.532 -4.302 1.295 1.00 50.21 C ATOM 797 C VAL A 49 -1.467 -3.394 0.770 1.00 61.30 C ATOM 798 O VAL A 49 -1.455 -2.189 1.070 1.00 2.22 O ATOM 799 CB VAL A 49 -3.649 -4.480 0.209 1.00 53.32 C ATOM 800 CG1 VAL A 49 -4.714 -5.464 0.671 1.00 35.11 C ATOM 801 CG2 VAL A 49 -4.293 -3.140 -0.155 1.00 31.40 C ATOM 0 H VAL A 49 -3.397 -2.816 2.448 1.00 44.45 H new ATOM 0 HA VAL A 49 -2.121 -5.289 1.509 1.00 50.21 H new ATOM 0 HB VAL A 49 -3.169 -4.883 -0.683 1.00 53.32 H new ATOM 0 HG11 VAL A 49 -5.475 -5.567 -0.103 1.00 35.11 H new ATOM 0 HG12 VAL A 49 -4.255 -6.435 0.860 1.00 35.11 H new ATOM 0 HG13 VAL A 49 -5.176 -5.097 1.587 1.00 35.11 H new ATOM 0 HG21 VAL A 49 -5.063 -3.299 -0.910 1.00 31.40 H new ATOM 0 HG22 VAL A 49 -4.743 -2.699 0.734 1.00 31.40 H new ATOM 0 HG23 VAL A 49 -3.532 -2.466 -0.549 1.00 31.40 H new ATOM 811 N CYS A 50 -0.569 -3.940 0.036 1.00 33.42 N ATOM 812 CA CYS A 50 0.424 -3.145 -0.587 1.00 61.14 C ATOM 813 C CYS A 50 -0.076 -2.827 -1.968 1.00 12.24 C ATOM 814 O CYS A 50 -0.854 -3.588 -2.527 1.00 54.43 O ATOM 815 CB CYS A 50 1.741 -3.877 -0.651 1.00 74.35 C ATOM 816 SG CYS A 50 2.295 -4.549 0.955 1.00 22.23 S ATOM 0 H CYS A 50 -0.501 -4.941 -0.149 1.00 33.42 H new ATOM 0 HA CYS A 50 0.599 -2.233 -0.017 1.00 61.14 H new ATOM 0 HB2 CYS A 50 1.656 -4.695 -1.366 1.00 74.35 H new ATOM 0 HB3 CYS A 50 2.504 -3.199 -1.032 1.00 74.35 H new ATOM 821 N ILE A 51 0.319 -1.726 -2.502 1.00 53.23 N ATOM 822 CA ILE A 51 -0.158 -1.323 -3.788 1.00 24.42 C ATOM 823 C ILE A 51 0.968 -1.276 -4.794 1.00 62.10 C ATOM 824 O ILE A 51 2.109 -0.929 -4.460 1.00 74.23 O ATOM 825 CB ILE A 51 -0.895 0.038 -3.729 1.00 22.42 C ATOM 826 CG1 ILE A 51 -2.039 -0.038 -2.724 1.00 1.44 C ATOM 827 CG2 ILE A 51 -1.428 0.421 -5.090 1.00 15.21 C ATOM 828 CD1 ILE A 51 -2.907 1.209 -2.696 1.00 64.33 C ATOM 0 H ILE A 51 0.977 -1.079 -2.068 1.00 53.23 H new ATOM 0 HA ILE A 51 -0.879 -2.073 -4.113 1.00 24.42 H new ATOM 0 HB ILE A 51 -0.185 0.802 -3.412 1.00 22.42 H new ATOM 0 HG12 ILE A 51 -2.663 -0.900 -2.961 1.00 1.44 H new ATOM 0 HG13 ILE A 51 -1.627 -0.206 -1.729 1.00 1.44 H new ATOM 0 HG21 ILE A 51 -1.941 1.380 -5.023 1.00 15.21 H new ATOM 0 HG22 ILE A 51 -0.601 0.501 -5.795 1.00 15.21 H new ATOM 0 HG23 ILE A 51 -2.127 -0.341 -5.435 1.00 15.21 H new ATOM 0 HD11 ILE A 51 -3.700 1.084 -1.959 1.00 64.33 H new ATOM 0 HD12 ILE A 51 -2.296 2.072 -2.429 1.00 64.33 H new ATOM 0 HD13 ILE A 51 -3.348 1.367 -3.680 1.00 64.33 H new ATOM 840 N ASP A 52 0.646 -1.667 -6.002 1.00 44.34 N ATOM 841 CA ASP A 52 1.576 -1.693 -7.103 1.00 52.25 C ATOM 842 C ASP A 52 1.693 -0.305 -7.717 1.00 43.22 C ATOM 843 O ASP A 52 0.676 0.344 -7.997 1.00 65.41 O ATOM 844 CB ASP A 52 1.078 -2.681 -8.139 1.00 54.11 C ATOM 845 CG ASP A 52 2.016 -2.874 -9.305 1.00 34.45 C ATOM 846 OD1 ASP A 52 2.008 -2.060 -10.240 1.00 43.24 O ATOM 847 OD2 ASP A 52 2.761 -3.874 -9.316 1.00 54.41 O ATOM 0 H ASP A 52 -0.291 -1.983 -6.253 1.00 44.34 H new ATOM 0 HA ASP A 52 2.560 -1.998 -6.748 1.00 52.25 H new ATOM 0 HB2 ASP A 52 0.912 -3.644 -7.657 1.00 54.11 H new ATOM 0 HB3 ASP A 52 0.113 -2.342 -8.515 1.00 54.11 H new ATOM 852 N PRO A 53 2.929 0.161 -7.951 1.00 72.20 N ATOM 853 CA PRO A 53 3.189 1.503 -8.470 1.00 72.03 C ATOM 854 C PRO A 53 2.645 1.748 -9.884 1.00 22.02 C ATOM 855 O PRO A 53 2.518 2.895 -10.304 1.00 3.51 O ATOM 856 CB PRO A 53 4.723 1.603 -8.468 1.00 2.12 C ATOM 857 CG PRO A 53 5.193 0.195 -8.497 1.00 71.41 C ATOM 858 CD PRO A 53 4.185 -0.586 -7.715 1.00 54.42 C ATOM 0 HA PRO A 53 2.686 2.252 -7.859 1.00 72.03 H new ATOM 0 HB2 PRO A 53 5.085 2.159 -9.333 1.00 2.12 H new ATOM 0 HB3 PRO A 53 5.085 2.123 -7.581 1.00 2.12 H new ATOM 0 HG2 PRO A 53 5.264 -0.173 -9.521 1.00 71.41 H new ATOM 0 HG3 PRO A 53 6.186 0.105 -8.056 1.00 71.41 H new ATOM 0 HD2 PRO A 53 4.114 -1.616 -8.064 1.00 54.42 H new ATOM 0 HD3 PRO A 53 4.438 -0.625 -6.656 1.00 54.42 H new ATOM 866 N LYS A 54 2.300 0.691 -10.606 1.00 0.45 N ATOM 867 CA LYS A 54 1.859 0.842 -11.985 1.00 13.14 C ATOM 868 C LYS A 54 0.363 1.103 -12.096 1.00 75.53 C ATOM 869 O LYS A 54 -0.156 1.223 -13.204 1.00 22.24 O ATOM 870 CB LYS A 54 2.245 -0.369 -12.834 1.00 25.53 C ATOM 871 CG LYS A 54 3.735 -0.662 -12.857 1.00 52.24 C ATOM 872 CD LYS A 54 4.070 -1.842 -13.767 1.00 34.24 C ATOM 873 CE LYS A 54 3.360 -3.128 -13.351 1.00 43.25 C ATOM 874 NZ LYS A 54 3.650 -3.518 -11.955 1.00 23.24 N ATOM 0 H LYS A 54 2.316 -0.270 -10.265 1.00 0.45 H new ATOM 0 HA LYS A 54 2.376 1.720 -12.372 1.00 13.14 H new ATOM 0 HB2 LYS A 54 1.719 -1.246 -12.457 1.00 25.53 H new ATOM 0 HB3 LYS A 54 1.902 -0.207 -13.856 1.00 25.53 H new ATOM 0 HG2 LYS A 54 4.274 0.223 -13.197 1.00 52.24 H new ATOM 0 HG3 LYS A 54 4.079 -0.875 -11.845 1.00 52.24 H new ATOM 0 HD2 LYS A 54 3.794 -1.595 -14.792 1.00 34.24 H new ATOM 0 HD3 LYS A 54 5.147 -2.008 -13.758 1.00 34.24 H new ATOM 0 HE2 LYS A 54 2.284 -2.999 -13.471 1.00 43.25 H new ATOM 0 HE3 LYS A 54 3.660 -3.936 -14.019 1.00 43.25 H new ATOM 0 HZ1 LYS A 54 3.183 -4.423 -11.743 1.00 23.24 H new ATOM 0 HZ2 LYS A 54 4.677 -3.620 -11.829 1.00 23.24 H new ATOM 0 HZ3 LYS A 54 3.293 -2.785 -11.309 1.00 23.24 H new ATOM 888 N LEU A 55 -0.340 1.178 -10.968 1.00 64.51 N ATOM 889 CA LEU A 55 -1.748 1.499 -10.998 1.00 43.34 C ATOM 890 C LEU A 55 -1.977 2.893 -11.518 1.00 13.52 C ATOM 891 O LEU A 55 -1.182 3.792 -11.265 1.00 3.13 O ATOM 892 CB LEU A 55 -2.397 1.307 -9.645 1.00 64.01 C ATOM 893 CG LEU A 55 -2.818 -0.104 -9.275 1.00 5.15 C ATOM 894 CD1 LEU A 55 -3.372 -0.122 -7.871 1.00 5.11 C ATOM 895 CD2 LEU A 55 -3.891 -0.575 -10.230 1.00 60.55 C ATOM 0 H LEU A 55 0.045 1.021 -10.036 1.00 64.51 H new ATOM 0 HA LEU A 55 -2.224 0.801 -11.687 1.00 43.34 H new ATOM 0 HB2 LEU A 55 -1.704 1.664 -8.883 1.00 64.01 H new ATOM 0 HB3 LEU A 55 -3.279 1.946 -9.599 1.00 64.01 H new ATOM 0 HG LEU A 55 -1.951 -0.761 -9.334 1.00 5.15 H new ATOM 0 HD11 LEU A 55 -3.672 -1.137 -7.611 1.00 5.11 H new ATOM 0 HD12 LEU A 55 -2.607 0.220 -7.174 1.00 5.11 H new ATOM 0 HD13 LEU A 55 -4.237 0.538 -7.813 1.00 5.11 H new ATOM 0 HD21 LEU A 55 -4.194 -1.588 -9.966 1.00 60.55 H new ATOM 0 HD22 LEU A 55 -4.752 0.090 -10.166 1.00 60.55 H new ATOM 0 HD23 LEU A 55 -3.501 -0.567 -11.248 1.00 60.55 H new ATOM 907 N LYS A 56 -3.071 3.074 -12.215 1.00 61.52 N ATOM 908 CA LYS A 56 -3.359 4.325 -12.892 1.00 30.41 C ATOM 909 C LYS A 56 -3.521 5.474 -11.936 1.00 43.52 C ATOM 910 O LYS A 56 -2.927 6.539 -12.131 1.00 32.54 O ATOM 911 CB LYS A 56 -4.588 4.212 -13.775 1.00 15.13 C ATOM 912 CG LYS A 56 -4.450 3.215 -14.911 1.00 41.55 C ATOM 913 CD LYS A 56 -5.708 3.172 -15.758 1.00 40.03 C ATOM 914 CE LYS A 56 -6.032 4.544 -16.337 1.00 33.50 C ATOM 915 NZ LYS A 56 -7.240 4.525 -17.174 1.00 4.13 N ATOM 0 H LYS A 56 -3.791 2.361 -12.332 1.00 61.52 H new ATOM 0 HA LYS A 56 -2.492 4.533 -13.519 1.00 30.41 H new ATOM 0 HB2 LYS A 56 -5.440 3.926 -13.158 1.00 15.13 H new ATOM 0 HB3 LYS A 56 -4.812 5.193 -14.193 1.00 15.13 H new ATOM 0 HG2 LYS A 56 -3.598 3.485 -15.534 1.00 41.55 H new ATOM 0 HG3 LYS A 56 -4.247 2.224 -14.506 1.00 41.55 H new ATOM 0 HD2 LYS A 56 -5.579 2.454 -16.568 1.00 40.03 H new ATOM 0 HD3 LYS A 56 -6.545 2.823 -15.153 1.00 40.03 H new ATOM 0 HE2 LYS A 56 -6.168 5.256 -15.523 1.00 33.50 H new ATOM 0 HE3 LYS A 56 -5.187 4.894 -16.930 1.00 33.50 H new ATOM 0 HZ1 LYS A 56 -7.420 5.480 -17.545 1.00 4.13 H new ATOM 0 HZ2 LYS A 56 -7.103 3.865 -17.966 1.00 4.13 H new ATOM 0 HZ3 LYS A 56 -8.053 4.216 -16.603 1.00 4.13 H new ATOM 929 N TRP A 57 -4.295 5.269 -10.885 1.00 30.12 N ATOM 930 CA TRP A 57 -4.507 6.335 -9.930 1.00 53.21 C ATOM 931 C TRP A 57 -3.256 6.566 -9.113 1.00 5.13 C ATOM 932 O TRP A 57 -3.039 7.652 -8.584 1.00 35.40 O ATOM 933 CB TRP A 57 -5.741 6.100 -9.043 1.00 42.41 C ATOM 934 CG TRP A 57 -5.699 4.915 -8.104 1.00 20.21 C ATOM 935 CD1 TRP A 57 -6.003 3.608 -8.383 1.00 2.55 C ATOM 936 CD2 TRP A 57 -5.382 4.954 -6.713 1.00 54.33 C ATOM 937 NE1 TRP A 57 -5.891 2.854 -7.254 1.00 0.14 N ATOM 938 CE2 TRP A 57 -5.514 3.648 -6.217 1.00 24.30 C ATOM 939 CE3 TRP A 57 -4.997 5.968 -5.841 1.00 34.03 C ATOM 940 CZ2 TRP A 57 -5.284 3.330 -4.890 1.00 0.45 C ATOM 941 CZ3 TRP A 57 -4.770 5.655 -4.522 1.00 21.55 C ATOM 942 CH2 TRP A 57 -4.912 4.346 -4.057 1.00 63.53 C ATOM 0 H TRP A 57 -4.776 4.394 -10.676 1.00 30.12 H new ATOM 0 HA TRP A 57 -4.718 7.244 -10.494 1.00 53.21 H new ATOM 0 HB2 TRP A 57 -5.905 6.998 -8.447 1.00 42.41 H new ATOM 0 HB3 TRP A 57 -6.608 5.986 -9.693 1.00 42.41 H new ATOM 0 HD1 TRP A 57 -6.289 3.232 -9.354 1.00 2.55 H new ATOM 0 HE1 TRP A 57 -6.063 1.850 -7.196 1.00 0.14 H new ATOM 0 HE3 TRP A 57 -4.879 6.982 -6.194 1.00 34.03 H new ATOM 0 HZ2 TRP A 57 -5.394 2.319 -4.528 1.00 0.45 H new ATOM 0 HZ3 TRP A 57 -4.477 6.434 -3.834 1.00 21.55 H new ATOM 0 HH2 TRP A 57 -4.723 4.132 -3.015 1.00 63.53 H new ATOM 953 N ILE A 58 -2.426 5.543 -9.050 1.00 60.23 N ATOM 954 CA ILE A 58 -1.162 5.596 -8.367 1.00 34.12 C ATOM 955 C ILE A 58 -0.171 6.429 -9.166 1.00 70.41 C ATOM 956 O ILE A 58 0.496 7.284 -8.613 1.00 5.43 O ATOM 957 CB ILE A 58 -0.616 4.175 -8.097 1.00 74.15 C ATOM 958 CG1 ILE A 58 -1.507 3.431 -7.098 1.00 34.05 C ATOM 959 CG2 ILE A 58 0.818 4.198 -7.628 1.00 65.15 C ATOM 960 CD1 ILE A 58 -1.596 4.091 -5.736 1.00 71.40 C ATOM 0 H ILE A 58 -2.621 4.639 -9.481 1.00 60.23 H new ATOM 0 HA ILE A 58 -1.309 6.075 -7.399 1.00 34.12 H new ATOM 0 HB ILE A 58 -0.634 3.636 -9.044 1.00 74.15 H new ATOM 0 HG12 ILE A 58 -2.510 3.347 -7.515 1.00 34.05 H new ATOM 0 HG13 ILE A 58 -1.127 2.417 -6.974 1.00 34.05 H new ATOM 0 HG21 ILE A 58 1.159 3.178 -7.451 1.00 65.15 H new ATOM 0 HG22 ILE A 58 1.443 4.662 -8.391 1.00 65.15 H new ATOM 0 HG23 ILE A 58 0.889 4.770 -6.703 1.00 65.15 H new ATOM 0 HD11 ILE A 58 -2.245 3.502 -5.088 1.00 71.40 H new ATOM 0 HD12 ILE A 58 -0.601 4.151 -5.295 1.00 71.40 H new ATOM 0 HD13 ILE A 58 -2.006 5.095 -5.844 1.00 71.40 H new ATOM 972 N GLN A 59 -0.106 6.191 -10.473 1.00 45.53 N ATOM 973 CA GLN A 59 0.737 6.987 -11.369 1.00 14.41 C ATOM 974 C GLN A 59 0.457 8.462 -11.162 1.00 74.24 C ATOM 975 O GLN A 59 1.374 9.256 -10.918 1.00 73.01 O ATOM 976 CB GLN A 59 0.436 6.649 -12.815 1.00 41.10 C ATOM 977 CG GLN A 59 0.858 5.261 -13.285 1.00 62.14 C ATOM 978 CD GLN A 59 2.367 5.103 -13.384 1.00 64.20 C ATOM 979 OE1 GLN A 59 2.960 5.382 -14.427 1.00 41.55 O ATOM 980 NE2 GLN A 59 2.991 4.633 -12.346 1.00 55.34 N ATOM 0 H GLN A 59 -0.629 5.450 -10.940 1.00 45.53 H new ATOM 0 HA GLN A 59 1.780 6.762 -11.145 1.00 14.41 H new ATOM 0 HB2 GLN A 59 -0.637 6.753 -12.975 1.00 41.10 H new ATOM 0 HB3 GLN A 59 0.926 7.389 -13.449 1.00 41.10 H new ATOM 0 HG2 GLN A 59 0.464 4.514 -12.596 1.00 62.14 H new ATOM 0 HG3 GLN A 59 0.412 5.062 -14.260 1.00 62.14 H new ATOM 0 HE21 GLN A 59 2.472 4.411 -11.496 1.00 55.34 H new ATOM 0 HE22 GLN A 59 4.000 4.486 -12.381 1.00 55.34 H new ATOM 989 N GLU A 60 -0.821 8.809 -11.224 1.00 34.32 N ATOM 990 CA GLU A 60 -1.269 10.175 -11.045 1.00 11.22 C ATOM 991 C GLU A 60 -1.017 10.656 -9.616 1.00 72.41 C ATOM 992 O GLU A 60 -0.670 11.811 -9.401 1.00 20.32 O ATOM 993 CB GLU A 60 -2.746 10.304 -11.400 1.00 41.00 C ATOM 994 CG GLU A 60 -3.064 9.947 -12.840 1.00 4.44 C ATOM 995 CD GLU A 60 -4.527 10.084 -13.152 1.00 44.41 C ATOM 996 OE1 GLU A 60 -5.285 9.117 -12.923 1.00 54.34 O ATOM 997 OE2 GLU A 60 -4.947 11.157 -13.636 1.00 33.41 O ATOM 0 H GLU A 60 -1.576 8.146 -11.401 1.00 34.32 H new ATOM 0 HA GLU A 60 -0.692 10.809 -11.719 1.00 11.22 H new ATOM 0 HB2 GLU A 60 -3.326 9.660 -10.739 1.00 41.00 H new ATOM 0 HB3 GLU A 60 -3.068 11.328 -11.210 1.00 41.00 H new ATOM 0 HG2 GLU A 60 -2.491 10.591 -13.507 1.00 4.44 H new ATOM 0 HG3 GLU A 60 -2.747 8.923 -13.036 1.00 4.44 H new ATOM 1004 N TYR A 61 -1.172 9.758 -8.649 1.00 0.45 N ATOM 1005 CA TYR A 61 -0.951 10.088 -7.248 1.00 10.34 C ATOM 1006 C TYR A 61 0.504 10.459 -7.013 1.00 70.11 C ATOM 1007 O TYR A 61 0.789 11.472 -6.390 1.00 22.44 O ATOM 1008 CB TYR A 61 -1.378 8.930 -6.327 1.00 72.13 C ATOM 1009 CG TYR A 61 -1.213 9.208 -4.845 1.00 63.54 C ATOM 1010 CD1 TYR A 61 -2.078 10.064 -4.177 1.00 12.33 C ATOM 1011 CD2 TYR A 61 -0.191 8.614 -4.115 1.00 72.22 C ATOM 1012 CE1 TYR A 61 -1.929 10.320 -2.827 1.00 71.03 C ATOM 1013 CE2 TYR A 61 -0.035 8.865 -2.769 1.00 52.20 C ATOM 1014 CZ TYR A 61 -0.904 9.715 -2.131 1.00 51.33 C ATOM 1015 OH TYR A 61 -0.749 9.962 -0.785 1.00 52.15 O ATOM 0 H TYR A 61 -1.452 8.791 -8.813 1.00 0.45 H new ATOM 0 HA TYR A 61 -1.571 10.950 -7.002 1.00 10.34 H new ATOM 0 HB2 TYR A 61 -2.423 8.693 -6.525 1.00 72.13 H new ATOM 0 HB3 TYR A 61 -0.796 8.045 -6.584 1.00 72.13 H new ATOM 0 HD1 TYR A 61 -2.881 10.538 -4.722 1.00 12.33 H new ATOM 0 HD2 TYR A 61 0.494 7.943 -4.612 1.00 72.22 H new ATOM 0 HE1 TYR A 61 -2.610 10.989 -2.321 1.00 71.03 H new ATOM 0 HE2 TYR A 61 0.767 8.395 -2.219 1.00 52.20 H new ATOM 0 HH TYR A 61 0.019 9.457 -0.446 1.00 52.15 H new ATOM 1025 N LEU A 62 1.422 9.661 -7.544 1.00 70.33 N ATOM 1026 CA LEU A 62 2.843 9.955 -7.395 1.00 44.23 C ATOM 1027 C LEU A 62 3.218 11.186 -8.177 1.00 22.34 C ATOM 1028 O LEU A 62 4.034 11.988 -7.732 1.00 34.33 O ATOM 1029 CB LEU A 62 3.751 8.766 -7.759 1.00 14.11 C ATOM 1030 CG LEU A 62 3.869 7.628 -6.717 1.00 73.22 C ATOM 1031 CD1 LEU A 62 2.552 6.959 -6.440 1.00 12.13 C ATOM 1032 CD2 LEU A 62 4.892 6.620 -7.161 1.00 23.02 C ATOM 0 H LEU A 62 1.213 8.816 -8.075 1.00 70.33 H new ATOM 0 HA LEU A 62 3.010 10.148 -6.335 1.00 44.23 H new ATOM 0 HB2 LEU A 62 3.387 8.335 -8.692 1.00 14.11 H new ATOM 0 HB3 LEU A 62 4.752 9.151 -7.955 1.00 14.11 H new ATOM 0 HG LEU A 62 4.194 8.082 -5.781 1.00 73.22 H new ATOM 0 HD11 LEU A 62 2.693 6.169 -5.702 1.00 12.13 H new ATOM 0 HD12 LEU A 62 1.845 7.693 -6.054 1.00 12.13 H new ATOM 0 HD13 LEU A 62 2.161 6.529 -7.362 1.00 12.13 H new ATOM 0 HD21 LEU A 62 4.965 5.825 -6.419 1.00 23.02 H new ATOM 0 HD22 LEU A 62 4.593 6.196 -8.119 1.00 23.02 H new ATOM 0 HD23 LEU A 62 5.861 7.108 -7.267 1.00 23.02 H new ATOM 1044 N GLU A 63 2.580 11.356 -9.325 1.00 52.03 N ATOM 1045 CA GLU A 63 2.795 12.492 -10.171 1.00 51.11 C ATOM 1046 C GLU A 63 2.447 13.782 -9.428 1.00 73.15 C ATOM 1047 O GLU A 63 3.245 14.728 -9.396 1.00 60.14 O ATOM 1048 CB GLU A 63 1.940 12.347 -11.418 1.00 60.13 C ATOM 1049 CG GLU A 63 2.068 13.475 -12.389 1.00 53.23 C ATOM 1050 CD GLU A 63 1.225 13.258 -13.608 1.00 23.12 C ATOM 1051 OE1 GLU A 63 1.715 12.636 -14.578 1.00 3.42 O ATOM 1052 OE2 GLU A 63 0.065 13.688 -13.625 1.00 24.41 O ATOM 0 H GLU A 63 1.893 10.695 -9.688 1.00 52.03 H new ATOM 0 HA GLU A 63 3.846 12.542 -10.456 1.00 51.11 H new ATOM 0 HB2 GLU A 63 2.208 11.418 -11.921 1.00 60.13 H new ATOM 0 HB3 GLU A 63 0.896 12.258 -11.119 1.00 60.13 H new ATOM 0 HG2 GLU A 63 1.774 14.406 -11.905 1.00 53.23 H new ATOM 0 HG3 GLU A 63 3.112 13.584 -12.684 1.00 53.23 H new ATOM 1059 N LYS A 64 1.278 13.809 -8.805 1.00 2.35 N ATOM 1060 CA LYS A 64 0.853 14.975 -8.076 1.00 11.04 C ATOM 1061 C LYS A 64 1.525 15.086 -6.711 1.00 50.14 C ATOM 1062 O LYS A 64 1.554 16.160 -6.116 1.00 34.00 O ATOM 1063 CB LYS A 64 -0.648 15.062 -7.980 1.00 11.54 C ATOM 1064 CG LYS A 64 -1.320 13.949 -7.238 1.00 63.31 C ATOM 1065 CD LYS A 64 -2.803 14.134 -7.308 1.00 45.31 C ATOM 1066 CE LYS A 64 -3.335 13.939 -8.735 1.00 21.35 C ATOM 1067 NZ LYS A 64 -4.794 14.149 -8.820 1.00 55.31 N ATOM 0 H LYS A 64 0.615 13.034 -8.795 1.00 2.35 H new ATOM 0 HA LYS A 64 1.184 15.840 -8.651 1.00 11.04 H new ATOM 0 HB2 LYS A 64 -0.908 16.004 -7.497 1.00 11.54 H new ATOM 0 HB3 LYS A 64 -1.056 15.098 -8.990 1.00 11.54 H new ATOM 0 HG2 LYS A 64 -1.041 12.988 -7.670 1.00 63.31 H new ATOM 0 HG3 LYS A 64 -0.992 13.939 -6.199 1.00 63.31 H new ATOM 0 HD2 LYS A 64 -3.290 13.425 -6.639 1.00 45.31 H new ATOM 0 HD3 LYS A 64 -3.062 15.133 -6.957 1.00 45.31 H new ATOM 0 HE2 LYS A 64 -2.830 14.633 -9.407 1.00 21.35 H new ATOM 0 HE3 LYS A 64 -3.094 12.932 -9.076 1.00 21.35 H new ATOM 0 HZ1 LYS A 64 -5.109 14.007 -9.801 1.00 55.31 H new ATOM 0 HZ2 LYS A 64 -5.279 13.470 -8.199 1.00 55.31 H new ATOM 0 HZ3 LYS A 64 -5.023 15.118 -8.520 1.00 55.31 H new ATOM 1081 N ALA A 65 2.064 13.980 -6.217 1.00 30.41 N ATOM 1082 CA ALA A 65 2.839 14.000 -4.982 1.00 44.21 C ATOM 1083 C ALA A 65 4.175 14.676 -5.244 1.00 72.41 C ATOM 1084 O ALA A 65 4.750 15.313 -4.367 1.00 75.25 O ATOM 1085 CB ALA A 65 3.053 12.592 -4.440 1.00 45.11 C ATOM 0 H ALA A 65 1.980 13.060 -6.650 1.00 30.41 H new ATOM 0 HA ALA A 65 2.285 14.560 -4.228 1.00 44.21 H new ATOM 0 HB1 ALA A 65 3.634 12.641 -3.519 1.00 45.11 H new ATOM 0 HB2 ALA A 65 2.087 12.130 -4.236 1.00 45.11 H new ATOM 0 HB3 ALA A 65 3.591 11.996 -5.177 1.00 45.11 H new ATOM 1091 N LEU A 66 4.674 14.510 -6.456 1.00 14.15 N ATOM 1092 CA LEU A 66 5.895 15.171 -6.879 1.00 52.41 C ATOM 1093 C LEU A 66 5.589 16.614 -7.281 1.00 13.44 C ATOM 1094 O LEU A 66 6.400 17.516 -7.080 1.00 55.44 O ATOM 1095 CB LEU A 66 6.527 14.418 -8.051 1.00 21.13 C ATOM 1096 CG LEU A 66 6.938 12.965 -7.780 1.00 74.55 C ATOM 1097 CD1 LEU A 66 7.435 12.315 -9.049 1.00 4.44 C ATOM 1098 CD2 LEU A 66 8.007 12.895 -6.700 1.00 5.03 C ATOM 0 H LEU A 66 4.248 13.918 -7.169 1.00 14.15 H new ATOM 0 HA LEU A 66 6.602 15.175 -6.049 1.00 52.41 H new ATOM 0 HB2 LEU A 66 5.823 14.425 -8.883 1.00 21.13 H new ATOM 0 HB3 LEU A 66 7.410 14.969 -8.376 1.00 21.13 H new ATOM 0 HG LEU A 66 6.060 12.424 -7.427 1.00 74.55 H new ATOM 0 HD11 LEU A 66 7.723 11.284 -8.841 1.00 4.44 H new ATOM 0 HD12 LEU A 66 6.643 12.327 -9.798 1.00 4.44 H new ATOM 0 HD13 LEU A 66 8.298 12.864 -9.425 1.00 4.44 H new ATOM 0 HD21 LEU A 66 8.281 11.854 -6.526 1.00 5.03 H new ATOM 0 HD22 LEU A 66 8.886 13.453 -7.022 1.00 5.03 H new ATOM 0 HD23 LEU A 66 7.621 13.327 -5.777 1.00 5.03 H new ATOM 1110 N ASN A 67 4.409 16.812 -7.851 1.00 42.21 N ATOM 1111 CA ASN A 67 3.942 18.139 -8.269 1.00 45.42 C ATOM 1112 C ASN A 67 3.739 19.031 -7.053 1.00 60.30 C ATOM 1113 O ASN A 67 4.205 20.177 -7.014 1.00 11.21 O ATOM 1114 CB ASN A 67 2.612 18.016 -9.026 1.00 60.33 C ATOM 1115 CG ASN A 67 2.055 19.348 -9.534 1.00 62.23 C ATOM 1116 OD1 ASN A 67 0.838 19.532 -9.594 1.00 13.45 O ATOM 1117 ND2 ASN A 67 2.913 20.251 -9.949 1.00 24.25 N ATOM 0 H ASN A 67 3.744 16.062 -8.039 1.00 42.21 H new ATOM 0 HA ASN A 67 4.695 18.579 -8.922 1.00 45.42 H new ATOM 0 HB2 ASN A 67 2.750 17.345 -9.874 1.00 60.33 H new ATOM 0 HB3 ASN A 67 1.875 17.553 -8.370 1.00 60.33 H new ATOM 0 HD21 ASN A 67 2.578 21.134 -10.334 1.00 24.25 H new ATOM 0 HD22 ASN A 67 3.915 20.069 -9.886 1.00 24.25 H new ATOM 1124 N LYS A 68 3.050 18.517 -6.080 1.00 55.22 N ATOM 1125 CA LYS A 68 2.784 19.237 -4.877 1.00 23.01 C ATOM 1126 C LYS A 68 3.457 18.535 -3.718 1.00 24.22 C ATOM 1127 O LYS A 68 4.588 18.937 -3.353 1.00 39.61 O ATOM 1128 CB LYS A 68 1.277 19.354 -4.646 1.00 51.42 C ATOM 1129 CG LYS A 68 0.912 20.102 -3.383 1.00 11.52 C ATOM 1130 CD LYS A 68 -0.581 20.124 -3.156 1.00 44.54 C ATOM 1131 CE LYS A 68 -0.918 20.808 -1.848 1.00 43.12 C ATOM 1132 NZ LYS A 68 -0.272 20.137 -0.694 1.00 23.52 N ATOM 1133 OXT LYS A 68 2.889 17.569 -3.192 1.00 39.61 O ATOM 0 H LYS A 68 2.654 17.577 -6.101 1.00 55.22 H new ATOM 0 HA LYS A 68 3.185 20.247 -4.961 1.00 23.01 H new ATOM 0 HB2 LYS A 68 0.826 19.859 -5.500 1.00 51.42 H new ATOM 0 HB3 LYS A 68 0.846 18.354 -4.603 1.00 51.42 H new ATOM 0 HG2 LYS A 68 1.403 19.635 -2.529 1.00 11.52 H new ATOM 0 HG3 LYS A 68 1.285 21.124 -3.445 1.00 11.52 H new ATOM 0 HD2 LYS A 68 -1.071 20.644 -3.980 1.00 44.54 H new ATOM 0 HD3 LYS A 68 -0.967 19.105 -3.148 1.00 44.54 H new ATOM 0 HE2 LYS A 68 -0.598 21.849 -1.889 1.00 43.12 H new ATOM 0 HE3 LYS A 68 -1.999 20.812 -1.708 1.00 43.12 H new ATOM 0 HZ1 LYS A 68 -0.962 20.032 0.077 1.00 23.52 H new ATOM 0 HZ2 LYS A 68 0.068 19.198 -0.984 1.00 23.52 H new ATOM 0 HZ3 LYS A 68 0.531 20.710 -0.365 1.00 23.52 H new TER 1147 LYS A 68