USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 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 7 TYR OH : rot -172:sc= 1.26 USER MOD Set 1.2: A 33 ASN : amide:sc= 0.903 K(o=2.2,f=-0.37!) USER MOD Set 2.1: A 31 THR OG1 : rot -150:sc= 0.296 USER MOD Set 2.2: A 37 GLN : amide:sc= 1.6 K(o=1.9,f=-5.6!) USER MOD Single : A 1 LYS N :NH3+ -110:sc= 0.165 (180deg=-0.00213) 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 180:sc= 0.0107 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.72) USER MOD Single : A 22 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.77) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.135 (180deg=-0.623) USER MOD Single : A 30 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.074) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.4) USER MOD Single : A 46 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.51) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.28) 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= -0.0152 K(o=-0.015,f=-1.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.334 -27.842 -1.427 1.00 54.23 N ATOM 2 CA LYS A 1 -4.061 -27.855 -2.865 1.00 55.12 C ATOM 3 C LYS A 1 -5.135 -27.043 -3.574 1.00 11.22 C ATOM 4 O LYS A 1 -6.189 -26.790 -2.991 1.00 11.12 O ATOM 5 CB LYS A 1 -4.081 -29.300 -3.414 1.00 14.51 C ATOM 6 CG LYS A 1 -5.401 -29.981 -3.327 1.00 42.01 C ATOM 7 CD LYS A 1 -5.340 -31.315 -4.007 1.00 15.13 C ATOM 8 CE LYS A 1 -6.671 -31.965 -3.960 1.00 73.42 C ATOM 9 NZ LYS A 1 -6.682 -33.278 -4.628 1.00 75.41 N ATOM 0 H1 LYS A 1 -3.614 -27.270 -0.942 1.00 54.23 H new ATOM 0 H2 LYS A 1 -5.274 -27.432 -1.256 1.00 54.23 H new ATOM 0 H3 LYS A 1 -4.308 -28.815 -1.060 1.00 54.23 H new ATOM 0 HA LYS A 1 -3.074 -27.427 -3.041 1.00 55.12 H new ATOM 0 HB2 LYS A 1 -3.765 -29.282 -4.457 1.00 14.51 H new ATOM 0 HB3 LYS A 1 -3.346 -29.891 -2.868 1.00 14.51 H new ATOM 0 HG2 LYS A 1 -5.684 -30.110 -2.282 1.00 42.01 H new ATOM 0 HG3 LYS A 1 -6.169 -29.362 -3.791 1.00 42.01 H new ATOM 0 HD2 LYS A 1 -5.022 -31.191 -5.042 1.00 15.13 H new ATOM 0 HD3 LYS A 1 -4.599 -31.948 -3.519 1.00 15.13 H new ATOM 0 HE2 LYS A 1 -6.975 -32.087 -2.921 1.00 73.42 H new ATOM 0 HE3 LYS A 1 -7.406 -31.314 -4.433 1.00 73.42 H new ATOM 0 HZ1 LYS A 1 -7.635 -33.690 -4.567 1.00 75.41 H new ATOM 0 HZ2 LYS A 1 -6.418 -33.161 -5.627 1.00 75.41 H new ATOM 0 HZ3 LYS A 1 -6.001 -33.910 -4.162 1.00 75.41 H new ATOM 23 N PRO A 2 -4.898 -26.609 -4.829 1.00 24.15 N ATOM 24 CA PRO A 2 -5.908 -25.905 -5.597 1.00 33.41 C ATOM 25 C PRO A 2 -7.023 -26.861 -5.998 1.00 0.33 C ATOM 26 O PRO A 2 -6.800 -27.810 -6.760 1.00 71.55 O ATOM 27 CB PRO A 2 -5.160 -25.415 -6.852 1.00 31.44 C ATOM 28 CG PRO A 2 -3.712 -25.628 -6.559 1.00 34.03 C ATOM 29 CD PRO A 2 -3.647 -26.760 -5.586 1.00 3.11 C ATOM 0 HA PRO A 2 -6.368 -25.091 -5.036 1.00 33.41 H new ATOM 0 HB2 PRO A 2 -5.468 -25.973 -7.736 1.00 31.44 H new ATOM 0 HB3 PRO A 2 -5.370 -24.364 -7.049 1.00 31.44 H new ATOM 0 HG2 PRO A 2 -3.161 -25.865 -7.469 1.00 34.03 H new ATOM 0 HG3 PRO A 2 -3.263 -24.728 -6.140 1.00 34.03 H new ATOM 0 HD2 PRO A 2 -3.593 -27.725 -6.090 1.00 3.11 H new ATOM 0 HD3 PRO A 2 -2.772 -26.689 -4.940 1.00 3.11 H new ATOM 37 N VAL A 3 -8.195 -26.651 -5.458 1.00 32.12 N ATOM 38 CA VAL A 3 -9.326 -27.491 -5.780 1.00 22.41 C ATOM 39 C VAL A 3 -10.004 -26.949 -7.028 1.00 11.23 C ATOM 40 O VAL A 3 -10.437 -27.705 -7.897 1.00 72.04 O ATOM 41 CB VAL A 3 -10.341 -27.569 -4.603 1.00 64.51 C ATOM 42 CG1 VAL A 3 -11.494 -28.507 -4.937 1.00 22.33 C ATOM 43 CG2 VAL A 3 -9.645 -28.016 -3.325 1.00 24.51 C ATOM 0 H VAL A 3 -8.395 -25.905 -4.792 1.00 32.12 H new ATOM 0 HA VAL A 3 -8.966 -28.504 -5.961 1.00 22.41 H new ATOM 0 HB VAL A 3 -10.750 -26.571 -4.445 1.00 64.51 H new ATOM 0 HG11 VAL A 3 -12.188 -28.543 -4.098 1.00 22.33 H new ATOM 0 HG12 VAL A 3 -12.014 -28.143 -5.823 1.00 22.33 H new ATOM 0 HG13 VAL A 3 -11.105 -29.507 -5.130 1.00 22.33 H new ATOM 0 HG21 VAL A 3 -10.371 -28.065 -2.513 1.00 24.51 H new ATOM 0 HG22 VAL A 3 -9.204 -29.001 -3.477 1.00 24.51 H new ATOM 0 HG23 VAL A 3 -8.861 -27.303 -3.069 1.00 24.51 H new ATOM 53 N SER A 4 -10.067 -25.645 -7.118 1.00 40.51 N ATOM 54 CA SER A 4 -10.622 -24.988 -8.261 1.00 1.30 C ATOM 55 C SER A 4 -10.050 -23.588 -8.366 1.00 61.32 C ATOM 56 O SER A 4 -10.000 -22.858 -7.367 1.00 11.45 O ATOM 57 CB SER A 4 -12.164 -24.969 -8.184 1.00 54.12 C ATOM 58 OG SER A 4 -12.625 -24.383 -6.963 1.00 21.21 O ATOM 0 H SER A 4 -9.731 -25.011 -6.393 1.00 40.51 H new ATOM 0 HA SER A 4 -10.352 -25.539 -9.162 1.00 1.30 H new ATOM 0 HB2 SER A 4 -12.564 -24.410 -9.030 1.00 54.12 H new ATOM 0 HB3 SER A 4 -12.545 -25.987 -8.266 1.00 54.12 H new ATOM 0 HG SER A 4 -13.605 -24.386 -6.948 1.00 21.21 H new ATOM 64 N LEU A 5 -9.582 -23.226 -9.541 1.00 22.24 N ATOM 65 CA LEU A 5 -9.040 -21.903 -9.751 1.00 31.35 C ATOM 66 C LEU A 5 -10.166 -20.911 -9.951 1.00 51.42 C ATOM 67 O LEU A 5 -10.728 -20.775 -11.054 1.00 21.12 O ATOM 68 CB LEU A 5 -8.053 -21.865 -10.928 1.00 72.22 C ATOM 69 CG LEU A 5 -6.802 -22.751 -10.800 1.00 30.44 C ATOM 70 CD1 LEU A 5 -5.933 -22.624 -12.039 1.00 15.02 C ATOM 71 CD2 LEU A 5 -6.002 -22.386 -9.550 1.00 54.22 C ATOM 0 H LEU A 5 -9.566 -23.829 -10.364 1.00 22.24 H new ATOM 0 HA LEU A 5 -8.476 -21.624 -8.861 1.00 31.35 H new ATOM 0 HB2 LEU A 5 -8.588 -22.157 -11.832 1.00 72.22 H new ATOM 0 HB3 LEU A 5 -7.729 -20.834 -11.069 1.00 72.22 H new ATOM 0 HG LEU A 5 -7.128 -23.787 -10.706 1.00 30.44 H new ATOM 0 HD11 LEU A 5 -5.052 -23.257 -11.932 1.00 15.02 H new ATOM 0 HD12 LEU A 5 -6.501 -22.937 -12.915 1.00 15.02 H new ATOM 0 HD13 LEU A 5 -5.621 -21.587 -12.160 1.00 15.02 H new ATOM 0 HD21 LEU A 5 -5.122 -23.026 -9.481 1.00 54.22 H new ATOM 0 HD22 LEU A 5 -5.689 -21.344 -9.610 1.00 54.22 H new ATOM 0 HD23 LEU A 5 -6.624 -22.528 -8.666 1.00 54.22 H new ATOM 83 N SER A 6 -10.532 -20.280 -8.887 1.00 30.53 N ATOM 84 CA SER A 6 -11.571 -19.321 -8.882 1.00 42.40 C ATOM 85 C SER A 6 -10.991 -17.912 -8.896 1.00 60.42 C ATOM 86 O SER A 6 -9.760 -17.730 -8.992 1.00 15.24 O ATOM 87 CB SER A 6 -12.441 -19.565 -7.653 1.00 63.42 C ATOM 88 OG SER A 6 -11.639 -19.650 -6.487 1.00 61.12 O ATOM 0 H SER A 6 -10.101 -20.425 -7.974 1.00 30.53 H new ATOM 0 HA SER A 6 -12.186 -19.419 -9.777 1.00 42.40 H new ATOM 0 HB2 SER A 6 -13.165 -18.757 -7.546 1.00 63.42 H new ATOM 0 HB3 SER A 6 -13.009 -20.487 -7.779 1.00 63.42 H new ATOM 0 HG SER A 6 -12.211 -19.805 -5.707 1.00 61.12 H new ATOM 94 N TYR A 7 -11.852 -16.935 -8.822 1.00 1.42 N ATOM 95 CA TYR A 7 -11.453 -15.571 -8.829 1.00 23.00 C ATOM 96 C TYR A 7 -10.901 -15.187 -7.455 1.00 25.12 C ATOM 97 O TYR A 7 -11.437 -15.594 -6.421 1.00 20.42 O ATOM 98 CB TYR A 7 -12.644 -14.703 -9.218 1.00 44.32 C ATOM 99 CG TYR A 7 -12.323 -13.252 -9.360 1.00 21.30 C ATOM 100 CD1 TYR A 7 -11.571 -12.807 -10.427 1.00 45.40 C ATOM 101 CD2 TYR A 7 -12.763 -12.328 -8.431 1.00 31.00 C ATOM 102 CE1 TYR A 7 -11.266 -11.479 -10.573 1.00 13.43 C ATOM 103 CE2 TYR A 7 -12.466 -10.994 -8.568 1.00 13.41 C ATOM 104 CZ TYR A 7 -11.713 -10.576 -9.644 1.00 43.33 C ATOM 105 OH TYR A 7 -11.409 -9.238 -9.794 1.00 32.25 O ATOM 0 H TYR A 7 -12.860 -17.074 -8.755 1.00 1.42 H new ATOM 0 HA TYR A 7 -10.661 -15.414 -9.561 1.00 23.00 H new ATOM 0 HB2 TYR A 7 -13.052 -15.067 -10.161 1.00 44.32 H new ATOM 0 HB3 TYR A 7 -13.425 -14.819 -8.466 1.00 44.32 H new ATOM 0 HD1 TYR A 7 -11.217 -13.517 -11.160 1.00 45.40 H new ATOM 0 HD2 TYR A 7 -13.348 -12.659 -7.586 1.00 31.00 H new ATOM 0 HE1 TYR A 7 -10.677 -11.146 -11.415 1.00 13.43 H new ATOM 0 HE2 TYR A 7 -12.819 -10.279 -7.839 1.00 13.41 H new ATOM 0 HH TYR A 7 -11.687 -8.747 -8.993 1.00 32.25 H new ATOM 115 N ARG A 8 -9.838 -14.425 -7.456 1.00 3.33 N ATOM 116 CA ARG A 8 -9.176 -14.029 -6.242 1.00 53.02 C ATOM 117 C ARG A 8 -8.639 -12.619 -6.381 1.00 22.34 C ATOM 118 O ARG A 8 -8.794 -11.986 -7.440 1.00 73.32 O ATOM 119 CB ARG A 8 -8.016 -15.000 -5.865 1.00 5.33 C ATOM 120 CG ARG A 8 -6.865 -15.125 -6.890 1.00 62.52 C ATOM 121 CD ARG A 8 -7.296 -15.836 -8.158 1.00 0.42 C ATOM 122 NE ARG A 8 -6.231 -15.921 -9.153 1.00 32.33 N ATOM 123 CZ ARG A 8 -6.280 -16.722 -10.230 1.00 74.11 C ATOM 124 NH1 ARG A 8 -7.334 -17.521 -10.417 1.00 43.44 N ATOM 125 NH2 ARG A 8 -5.287 -16.720 -11.119 1.00 24.12 N ATOM 0 H ARG A 8 -9.405 -14.060 -8.305 1.00 3.33 H new ATOM 0 HA ARG A 8 -9.913 -14.066 -5.440 1.00 53.02 H new ATOM 0 HB2 ARG A 8 -7.593 -14.675 -4.914 1.00 5.33 H new ATOM 0 HB3 ARG A 8 -8.439 -15.991 -5.703 1.00 5.33 H new ATOM 0 HG2 ARG A 8 -6.496 -14.131 -7.142 1.00 62.52 H new ATOM 0 HG3 ARG A 8 -6.035 -15.667 -6.436 1.00 62.52 H new ATOM 0 HD2 ARG A 8 -7.633 -16.842 -7.908 1.00 0.42 H new ATOM 0 HD3 ARG A 8 -8.149 -15.312 -8.590 1.00 0.42 H new ATOM 0 HE ARG A 8 -5.403 -15.339 -9.023 1.00 32.33 H new ATOM 0 HH11 ARG A 8 -8.099 -17.522 -9.743 1.00 43.44 H new ATOM 0 HH12 ARG A 8 -7.374 -18.130 -11.234 1.00 43.44 H new ATOM 0 HH21 ARG A 8 -4.483 -16.107 -10.984 1.00 24.12 H new ATOM 0 HH22 ARG A 8 -5.331 -17.331 -11.934 1.00 24.12 H new ATOM 139 N CYS A 9 -8.002 -12.149 -5.347 1.00 34.11 N ATOM 140 CA CYS A 9 -7.438 -10.828 -5.328 1.00 12.13 C ATOM 141 C CYS A 9 -5.918 -10.945 -5.301 1.00 21.31 C ATOM 142 O CYS A 9 -5.387 -11.892 -4.708 1.00 0.32 O ATOM 143 CB CYS A 9 -7.922 -10.087 -4.076 1.00 11.21 C ATOM 144 SG CYS A 9 -9.744 -10.032 -3.902 1.00 44.02 S ATOM 0 H CYS A 9 -7.858 -12.676 -4.486 1.00 34.11 H new ATOM 0 HA CYS A 9 -7.749 -10.274 -6.214 1.00 12.13 H new ATOM 0 HB2 CYS A 9 -7.497 -10.568 -3.195 1.00 11.21 H new ATOM 0 HB3 CYS A 9 -7.538 -9.067 -4.099 1.00 11.21 H new ATOM 149 N PRO A 10 -5.204 -10.016 -5.987 1.00 3.45 N ATOM 150 CA PRO A 10 -3.726 -9.978 -6.012 1.00 51.24 C ATOM 151 C PRO A 10 -3.115 -10.082 -4.608 1.00 74.55 C ATOM 152 O PRO A 10 -2.229 -10.920 -4.354 1.00 3.54 O ATOM 153 CB PRO A 10 -3.439 -8.608 -6.636 1.00 2.52 C ATOM 154 CG PRO A 10 -4.591 -8.388 -7.546 1.00 73.41 C ATOM 155 CD PRO A 10 -5.785 -8.942 -6.827 1.00 61.24 C ATOM 0 HA PRO A 10 -3.293 -10.815 -6.560 1.00 51.24 H new ATOM 0 HB2 PRO A 10 -3.373 -7.828 -5.877 1.00 2.52 H new ATOM 0 HB3 PRO A 10 -2.494 -8.605 -7.179 1.00 2.52 H new ATOM 0 HG2 PRO A 10 -4.722 -7.328 -7.764 1.00 73.41 H new ATOM 0 HG3 PRO A 10 -4.439 -8.893 -8.500 1.00 73.41 H new ATOM 0 HD2 PRO A 10 -6.280 -8.182 -6.223 1.00 61.24 H new ATOM 0 HD3 PRO A 10 -6.529 -9.332 -7.522 1.00 61.24 H new ATOM 163 N CYS A 11 -3.591 -9.263 -3.711 1.00 1.24 N ATOM 164 CA CYS A 11 -3.151 -9.303 -2.349 1.00 51.31 C ATOM 165 C CYS A 11 -4.144 -10.021 -1.479 1.00 12.13 C ATOM 166 O CYS A 11 -5.234 -9.527 -1.214 1.00 21.24 O ATOM 167 CB CYS A 11 -2.839 -7.915 -1.816 1.00 23.40 C ATOM 168 SG CYS A 11 -1.361 -7.169 -2.564 1.00 0.22 S ATOM 0 H CYS A 11 -4.294 -8.550 -3.906 1.00 1.24 H new ATOM 0 HA CYS A 11 -2.220 -9.869 -2.323 1.00 51.31 H new ATOM 0 HB2 CYS A 11 -3.695 -7.264 -1.995 1.00 23.40 H new ATOM 0 HB3 CYS A 11 -2.701 -7.971 -0.736 1.00 23.40 H new ATOM 173 N ARG A 12 -3.772 -11.209 -1.066 1.00 52.24 N ATOM 174 CA ARG A 12 -4.603 -12.025 -0.217 1.00 31.41 C ATOM 175 C ARG A 12 -4.217 -11.776 1.227 1.00 14.13 C ATOM 176 O ARG A 12 -4.988 -12.046 2.153 1.00 12.04 O ATOM 177 CB ARG A 12 -4.388 -13.499 -0.543 1.00 72.20 C ATOM 178 CG ARG A 12 -4.565 -13.848 -2.011 1.00 41.40 C ATOM 179 CD ARG A 12 -4.351 -15.328 -2.237 1.00 52.35 C ATOM 180 NE ARG A 12 -4.370 -15.695 -3.655 1.00 74.54 N ATOM 181 CZ ARG A 12 -4.669 -16.921 -4.118 1.00 14.12 C ATOM 182 NH1 ARG A 12 -5.126 -17.863 -3.284 1.00 21.34 N ATOM 183 NH2 ARG A 12 -4.532 -17.195 -5.410 1.00 5.52 N ATOM 0 H ARG A 12 -2.880 -11.638 -1.311 1.00 52.24 H new ATOM 0 HA ARG A 12 -5.650 -11.771 -0.379 1.00 31.41 H new ATOM 0 HB2 ARG A 12 -3.383 -13.785 -0.233 1.00 72.20 H new ATOM 0 HB3 ARG A 12 -5.085 -14.095 0.046 1.00 72.20 H new ATOM 0 HG2 ARG A 12 -5.565 -13.566 -2.339 1.00 41.40 H new ATOM 0 HG3 ARG A 12 -3.859 -13.277 -2.614 1.00 41.40 H new ATOM 0 HD2 ARG A 12 -3.395 -15.623 -1.803 1.00 52.35 H new ATOM 0 HD3 ARG A 12 -5.125 -15.887 -1.712 1.00 52.35 H new ATOM 0 HE ARG A 12 -4.141 -14.972 -4.337 1.00 74.54 H new ATOM 0 HH11 ARG A 12 -5.248 -17.652 -2.294 1.00 21.34 H new ATOM 0 HH12 ARG A 12 -5.352 -18.792 -3.639 1.00 21.34 H new ATOM 0 HH21 ARG A 12 -4.200 -16.475 -6.052 1.00 5.52 H new ATOM 0 HH22 ARG A 12 -4.759 -18.125 -5.761 1.00 5.52 H new ATOM 197 N PHE A 13 -3.019 -11.249 1.405 1.00 61.43 N ATOM 198 CA PHE A 13 -2.477 -10.967 2.709 1.00 62.54 C ATOM 199 C PHE A 13 -1.791 -9.616 2.702 1.00 62.31 C ATOM 200 O PHE A 13 -1.274 -9.186 1.674 1.00 53.04 O ATOM 201 CB PHE A 13 -1.496 -12.079 3.153 1.00 1.25 C ATOM 202 CG PHE A 13 -0.316 -12.310 2.231 1.00 31.03 C ATOM 203 CD1 PHE A 13 0.856 -11.573 2.373 1.00 53.25 C ATOM 204 CD2 PHE A 13 -0.374 -13.273 1.235 1.00 61.05 C ATOM 205 CE1 PHE A 13 1.936 -11.791 1.541 1.00 41.24 C ATOM 206 CE2 PHE A 13 0.703 -13.493 0.399 1.00 21.22 C ATOM 207 CZ PHE A 13 1.860 -12.752 0.552 1.00 12.12 C ATOM 0 H PHE A 13 -2.394 -11.005 0.637 1.00 61.43 H new ATOM 0 HA PHE A 13 -3.296 -10.941 3.428 1.00 62.54 H new ATOM 0 HB2 PHE A 13 -1.118 -11.832 4.145 1.00 1.25 H new ATOM 0 HB3 PHE A 13 -2.050 -13.013 3.247 1.00 1.25 H new ATOM 0 HD1 PHE A 13 0.922 -10.820 3.145 1.00 53.25 H new ATOM 0 HD2 PHE A 13 -1.273 -13.859 1.111 1.00 61.05 H new ATOM 0 HE1 PHE A 13 2.839 -11.211 1.663 1.00 41.24 H new ATOM 0 HE2 PHE A 13 0.641 -14.244 -0.375 1.00 21.22 H new ATOM 0 HZ PHE A 13 2.703 -12.924 -0.101 1.00 12.12 H new ATOM 217 N PHE A 14 -1.808 -8.955 3.828 1.00 23.31 N ATOM 218 CA PHE A 14 -1.202 -7.647 3.987 1.00 52.12 C ATOM 219 C PHE A 14 -0.413 -7.654 5.287 1.00 62.10 C ATOM 220 O PHE A 14 -0.738 -8.406 6.215 1.00 11.01 O ATOM 221 CB PHE A 14 -2.286 -6.562 4.073 1.00 30.42 C ATOM 222 CG PHE A 14 -3.263 -6.503 2.919 1.00 22.13 C ATOM 223 CD1 PHE A 14 -3.008 -5.718 1.815 1.00 14.02 C ATOM 224 CD2 PHE A 14 -4.446 -7.229 2.962 1.00 65.22 C ATOM 225 CE1 PHE A 14 -3.907 -5.658 0.770 1.00 3.11 C ATOM 226 CE2 PHE A 14 -5.349 -7.171 1.923 1.00 51.55 C ATOM 227 CZ PHE A 14 -5.079 -6.385 0.825 1.00 63.13 C ATOM 0 H PHE A 14 -2.248 -9.309 4.677 1.00 23.31 H new ATOM 0 HA PHE A 14 -0.558 -7.434 3.134 1.00 52.12 H new ATOM 0 HB2 PHE A 14 -2.851 -6.714 4.993 1.00 30.42 H new ATOM 0 HB3 PHE A 14 -1.795 -5.592 4.156 1.00 30.42 H new ATOM 0 HD1 PHE A 14 -2.095 -5.144 1.767 1.00 14.02 H new ATOM 0 HD2 PHE A 14 -4.661 -7.847 3.821 1.00 65.22 H new ATOM 0 HE1 PHE A 14 -3.694 -5.042 -0.091 1.00 3.11 H new ATOM 0 HE2 PHE A 14 -6.266 -7.740 1.970 1.00 51.55 H new ATOM 0 HZ PHE A 14 -5.784 -6.337 0.008 1.00 63.13 H new ATOM 237 N GLU A 15 0.625 -6.883 5.346 1.00 44.34 N ATOM 238 CA GLU A 15 1.403 -6.745 6.529 1.00 41.53 C ATOM 239 C GLU A 15 0.787 -5.543 7.280 1.00 21.44 C ATOM 240 O GLU A 15 0.430 -4.537 6.651 1.00 42.20 O ATOM 241 CB GLU A 15 2.842 -6.479 6.082 1.00 70.41 C ATOM 242 CG GLU A 15 3.953 -6.920 7.029 1.00 64.41 C ATOM 243 CD GLU A 15 4.026 -6.217 8.363 1.00 44.53 C ATOM 244 OE1 GLU A 15 3.214 -6.532 9.269 1.00 74.45 O ATOM 245 OE2 GLU A 15 4.912 -5.368 8.538 1.00 44.44 O ATOM 0 H GLU A 15 0.959 -6.324 4.561 1.00 44.34 H new ATOM 0 HA GLU A 15 1.408 -7.619 7.181 1.00 41.53 H new ATOM 0 HB2 GLU A 15 2.996 -6.975 5.124 1.00 70.41 H new ATOM 0 HB3 GLU A 15 2.950 -5.409 5.908 1.00 70.41 H new ATOM 0 HG2 GLU A 15 3.839 -7.988 7.213 1.00 64.41 H new ATOM 0 HG3 GLU A 15 4.907 -6.784 6.520 1.00 64.41 H new ATOM 252 N SER A 16 0.627 -5.652 8.576 1.00 50.10 N ATOM 253 CA SER A 16 -0.054 -4.623 9.334 1.00 2.44 C ATOM 254 C SER A 16 0.839 -3.941 10.379 1.00 64.31 C ATOM 255 O SER A 16 0.404 -3.035 11.088 1.00 54.32 O ATOM 256 CB SER A 16 -1.319 -5.207 9.958 1.00 62.02 C ATOM 257 OG SER A 16 -1.030 -6.416 10.668 1.00 33.12 O ATOM 0 H SER A 16 0.958 -6.441 9.131 1.00 50.10 H new ATOM 0 HA SER A 16 -0.328 -3.828 8.640 1.00 2.44 H new ATOM 0 HB2 SER A 16 -1.763 -4.479 10.637 1.00 62.02 H new ATOM 0 HB3 SER A 16 -2.055 -5.406 9.179 1.00 62.02 H new ATOM 0 HG SER A 16 -1.855 -6.770 11.060 1.00 33.12 H new ATOM 263 N HIS A 17 2.075 -4.363 10.461 1.00 70.22 N ATOM 264 CA HIS A 17 3.035 -3.779 11.390 1.00 35.22 C ATOM 265 C HIS A 17 4.111 -3.061 10.569 1.00 1.33 C ATOM 266 O HIS A 17 5.224 -2.816 11.028 1.00 4.43 O ATOM 267 CB HIS A 17 3.648 -4.905 12.250 1.00 44.31 C ATOM 268 CG HIS A 17 4.558 -4.411 13.326 1.00 34.43 C ATOM 269 ND1 HIS A 17 5.925 -4.485 13.247 1.00 61.34 N ATOM 270 CD2 HIS A 17 4.287 -3.811 14.496 1.00 15.34 C ATOM 271 CE1 HIS A 17 6.448 -3.952 14.317 1.00 11.11 C ATOM 272 NE2 HIS A 17 5.476 -3.533 15.094 1.00 13.04 N ATOM 0 H HIS A 17 2.453 -5.119 9.891 1.00 70.22 H new ATOM 0 HA HIS A 17 2.557 -3.062 12.058 1.00 35.22 H new ATOM 0 HB2 HIS A 17 2.843 -5.482 12.704 1.00 44.31 H new ATOM 0 HB3 HIS A 17 4.201 -5.585 11.602 1.00 44.31 H new ATOM 0 HD2 HIS A 17 3.306 -3.590 14.890 1.00 15.34 H new ATOM 0 HE1 HIS A 17 7.504 -3.869 14.528 1.00 11.11 H new ATOM 0 HE2 HIS A 17 5.594 -3.074 15.997 1.00 13.04 H new ATOM 281 N VAL A 18 3.729 -2.694 9.367 1.00 73.21 N ATOM 282 CA VAL A 18 4.629 -2.095 8.413 1.00 34.40 C ATOM 283 C VAL A 18 5.233 -0.801 8.914 1.00 21.31 C ATOM 284 O VAL A 18 4.523 0.113 9.314 1.00 13.25 O ATOM 285 CB VAL A 18 3.951 -1.835 7.051 1.00 61.43 C ATOM 286 CG1 VAL A 18 4.961 -1.301 6.054 1.00 23.03 C ATOM 287 CG2 VAL A 18 3.320 -3.095 6.519 1.00 33.43 C ATOM 0 H VAL A 18 2.775 -2.805 9.023 1.00 73.21 H new ATOM 0 HA VAL A 18 5.427 -2.825 8.281 1.00 34.40 H new ATOM 0 HB VAL A 18 3.168 -1.091 7.197 1.00 61.43 H new ATOM 0 HG11 VAL A 18 4.469 -1.122 5.098 1.00 23.03 H new ATOM 0 HG12 VAL A 18 5.381 -0.367 6.426 1.00 23.03 H new ATOM 0 HG13 VAL A 18 5.760 -2.030 5.920 1.00 23.03 H new ATOM 0 HG21 VAL A 18 2.848 -2.888 5.558 1.00 33.43 H new ATOM 0 HG22 VAL A 18 4.086 -3.859 6.390 1.00 33.43 H new ATOM 0 HG23 VAL A 18 2.568 -3.451 7.223 1.00 33.43 H new ATOM 297 N ALA A 19 6.539 -0.755 8.896 1.00 11.42 N ATOM 298 CA ALA A 19 7.270 0.427 9.222 1.00 22.54 C ATOM 299 C ALA A 19 7.668 1.105 7.922 1.00 33.25 C ATOM 300 O ALA A 19 8.193 0.450 7.006 1.00 32.15 O ATOM 301 CB ALA A 19 8.501 0.072 10.041 1.00 22.33 C ATOM 0 H ALA A 19 7.127 -1.552 8.650 1.00 11.42 H new ATOM 0 HA ALA A 19 6.657 1.101 9.820 1.00 22.54 H new ATOM 0 HB1 ALA A 19 9.051 0.981 10.284 1.00 22.33 H new ATOM 0 HB2 ALA A 19 8.195 -0.424 10.962 1.00 22.33 H new ATOM 0 HB3 ALA A 19 9.141 -0.596 9.465 1.00 22.33 H new ATOM 307 N ARG A 20 7.436 2.388 7.834 1.00 71.24 N ATOM 308 CA ARG A 20 7.712 3.151 6.629 1.00 42.40 C ATOM 309 C ARG A 20 9.211 3.220 6.334 1.00 73.32 C ATOM 310 O ARG A 20 9.624 3.342 5.184 1.00 43.41 O ATOM 311 CB ARG A 20 7.092 4.544 6.736 1.00 32.42 C ATOM 312 CG ARG A 20 7.282 5.417 5.512 1.00 30.32 C ATOM 313 CD ARG A 20 6.520 6.703 5.662 1.00 72.30 C ATOM 314 NE ARG A 20 6.614 7.557 4.478 1.00 42.14 N ATOM 315 CZ ARG A 20 5.958 8.710 4.322 1.00 14.42 C ATOM 316 NH1 ARG A 20 5.181 9.180 5.290 1.00 1.33 N ATOM 317 NH2 ARG A 20 6.080 9.386 3.202 1.00 44.52 N ATOM 0 H ARG A 20 7.048 2.943 8.597 1.00 71.24 H new ATOM 0 HA ARG A 20 7.253 2.636 5.785 1.00 42.40 H new ATOM 0 HB2 ARG A 20 6.024 4.438 6.928 1.00 32.42 H new ATOM 0 HB3 ARG A 20 7.522 5.053 7.599 1.00 32.42 H new ATOM 0 HG2 ARG A 20 8.342 5.629 5.370 1.00 30.32 H new ATOM 0 HG3 ARG A 20 6.941 4.887 4.623 1.00 30.32 H new ATOM 0 HD2 ARG A 20 5.472 6.478 5.861 1.00 72.30 H new ATOM 0 HD3 ARG A 20 6.899 7.246 6.528 1.00 72.30 H new ATOM 0 HE ARG A 20 7.223 7.251 3.719 1.00 42.14 H new ATOM 0 HH11 ARG A 20 5.081 8.660 6.162 1.00 1.33 H new ATOM 0 HH12 ARG A 20 4.684 10.061 5.162 1.00 1.33 H new ATOM 0 HH21 ARG A 20 6.675 9.030 2.454 1.00 44.52 H new ATOM 0 HH22 ARG A 20 5.580 10.267 3.081 1.00 44.52 H new ATOM 331 N ALA A 21 10.006 3.116 7.368 1.00 44.41 N ATOM 332 CA ALA A 21 11.451 3.113 7.235 1.00 34.42 C ATOM 333 C ALA A 21 11.961 1.718 6.867 1.00 71.12 C ATOM 334 O ALA A 21 13.147 1.533 6.587 1.00 20.52 O ATOM 335 CB ALA A 21 12.105 3.599 8.521 1.00 41.34 C ATOM 0 H ALA A 21 9.675 3.031 8.329 1.00 44.41 H new ATOM 0 HA ALA A 21 11.721 3.796 6.430 1.00 34.42 H new ATOM 0 HB1 ALA A 21 13.189 3.590 8.404 1.00 41.34 H new ATOM 0 HB2 ALA A 21 11.771 4.614 8.738 1.00 41.34 H new ATOM 0 HB3 ALA A 21 11.824 2.941 9.343 1.00 41.34 H new ATOM 341 N ASN A 22 11.075 0.743 6.891 1.00 43.31 N ATOM 342 CA ASN A 22 11.452 -0.633 6.589 1.00 73.30 C ATOM 343 C ASN A 22 11.161 -0.968 5.131 1.00 44.40 C ATOM 344 O ASN A 22 11.866 -1.755 4.513 1.00 5.45 O ATOM 345 CB ASN A 22 10.727 -1.622 7.516 1.00 2.42 C ATOM 346 CG ASN A 22 11.192 -3.057 7.335 1.00 52.20 C ATOM 347 OD1 ASN A 22 12.344 -3.313 6.998 1.00 74.21 O ATOM 348 ND2 ASN A 22 10.309 -4.000 7.552 1.00 34.52 N ATOM 0 H ASN A 22 10.089 0.872 7.116 1.00 43.31 H new ATOM 0 HA ASN A 22 12.524 -0.727 6.760 1.00 73.30 H new ATOM 0 HB2 ASN A 22 10.885 -1.323 8.552 1.00 2.42 H new ATOM 0 HB3 ASN A 22 9.655 -1.567 7.329 1.00 2.42 H new ATOM 0 HD21 ASN A 22 10.571 -4.979 7.442 1.00 34.52 H new ATOM 0 HD22 ASN A 22 9.359 -3.755 7.831 1.00 34.52 H new ATOM 355 N VAL A 23 10.117 -0.379 4.583 1.00 64.54 N ATOM 356 CA VAL A 23 9.771 -0.595 3.207 1.00 41.53 C ATOM 357 C VAL A 23 10.608 0.255 2.274 1.00 41.22 C ATOM 358 O VAL A 23 10.914 1.404 2.566 1.00 31.00 O ATOM 359 CB VAL A 23 8.271 -0.364 2.939 1.00 73.12 C ATOM 360 CG1 VAL A 23 7.450 -1.462 3.561 1.00 53.45 C ATOM 361 CG2 VAL A 23 7.814 0.994 3.453 1.00 54.11 C ATOM 0 H VAL A 23 9.494 0.257 5.081 1.00 64.54 H new ATOM 0 HA VAL A 23 9.989 -1.643 3.002 1.00 41.53 H new ATOM 0 HB VAL A 23 8.122 -0.379 1.859 1.00 73.12 H new ATOM 0 HG11 VAL A 23 6.393 -1.283 3.362 1.00 53.45 H new ATOM 0 HG12 VAL A 23 7.742 -2.421 3.134 1.00 53.45 H new ATOM 0 HG13 VAL A 23 7.619 -1.477 4.638 1.00 53.45 H new ATOM 0 HG21 VAL A 23 6.751 1.122 3.247 1.00 54.11 H new ATOM 0 HG22 VAL A 23 7.985 1.052 4.528 1.00 54.11 H new ATOM 0 HG23 VAL A 23 8.378 1.781 2.953 1.00 54.11 H new ATOM 371 N LYS A 24 10.992 -0.322 1.167 1.00 43.53 N ATOM 372 CA LYS A 24 11.794 0.371 0.184 1.00 52.41 C ATOM 373 C LYS A 24 10.921 1.158 -0.764 1.00 55.24 C ATOM 374 O LYS A 24 11.232 2.296 -1.124 1.00 64.03 O ATOM 375 CB LYS A 24 12.642 -0.617 -0.657 1.00 4.51 C ATOM 376 CG LYS A 24 11.819 -1.639 -1.443 1.00 51.53 C ATOM 377 CD LYS A 24 12.574 -2.238 -2.616 1.00 10.24 C ATOM 378 CE LYS A 24 12.962 -1.151 -3.615 1.00 33.44 C ATOM 379 NZ LYS A 24 13.554 -1.706 -4.853 1.00 24.43 N ATOM 0 H LYS A 24 10.760 -1.284 0.918 1.00 43.53 H new ATOM 0 HA LYS A 24 12.453 1.041 0.736 1.00 52.41 H new ATOM 0 HB2 LYS A 24 13.256 -0.048 -1.355 1.00 4.51 H new ATOM 0 HB3 LYS A 24 13.323 -1.149 0.007 1.00 4.51 H new ATOM 0 HG2 LYS A 24 11.509 -2.440 -0.772 1.00 51.53 H new ATOM 0 HG3 LYS A 24 10.911 -1.160 -1.810 1.00 51.53 H new ATOM 0 HD2 LYS A 24 13.469 -2.747 -2.258 1.00 10.24 H new ATOM 0 HD3 LYS A 24 11.956 -2.989 -3.109 1.00 10.24 H new ATOM 0 HE2 LYS A 24 12.080 -0.564 -3.869 1.00 33.44 H new ATOM 0 HE3 LYS A 24 13.674 -0.470 -3.149 1.00 33.44 H new ATOM 0 HZ1 LYS A 24 13.800 -0.929 -5.499 1.00 24.43 H new ATOM 0 HZ2 LYS A 24 14.412 -2.245 -4.616 1.00 24.43 H new ATOM 0 HZ3 LYS A 24 12.866 -2.335 -5.315 1.00 24.43 H new ATOM 393 N HIS A 25 9.813 0.571 -1.126 1.00 45.32 N ATOM 394 CA HIS A 25 9.027 1.057 -2.210 1.00 33.40 C ATOM 395 C HIS A 25 7.607 0.588 -2.094 1.00 72.22 C ATOM 396 O HIS A 25 7.371 -0.572 -1.799 1.00 72.04 O ATOM 397 CB HIS A 25 9.661 0.502 -3.490 1.00 71.22 C ATOM 398 CG HIS A 25 8.939 0.784 -4.752 1.00 53.45 C ATOM 399 ND1 HIS A 25 8.526 2.033 -5.142 1.00 71.43 N ATOM 400 CD2 HIS A 25 8.517 -0.063 -5.692 1.00 74.14 C ATOM 401 CE1 HIS A 25 7.868 1.932 -6.273 1.00 3.25 C ATOM 402 NE2 HIS A 25 7.851 0.667 -6.628 1.00 2.43 N ATOM 0 H HIS A 25 9.435 -0.260 -0.671 1.00 45.32 H new ATOM 0 HA HIS A 25 9.007 2.147 -2.213 1.00 33.40 H new ATOM 0 HB2 HIS A 25 10.670 0.905 -3.575 1.00 71.22 H new ATOM 0 HB3 HIS A 25 9.757 -0.579 -3.384 1.00 71.22 H new ATOM 0 HD2 HIS A 25 8.675 -1.131 -5.708 1.00 74.14 H new ATOM 0 HE1 HIS A 25 7.418 2.748 -6.818 1.00 3.25 H new ATOM 0 HE2 HIS A 25 7.410 0.293 -7.468 1.00 2.43 H new ATOM 411 N LEU A 26 6.682 1.488 -2.323 1.00 65.02 N ATOM 412 CA LEU A 26 5.272 1.172 -2.326 1.00 34.04 C ATOM 413 C LEU A 26 4.733 1.330 -3.731 1.00 35.23 C ATOM 414 O LEU A 26 5.136 2.243 -4.452 1.00 73.54 O ATOM 415 CB LEU A 26 4.451 2.079 -1.375 1.00 13.24 C ATOM 416 CG LEU A 26 4.708 1.991 0.145 1.00 41.51 C ATOM 417 CD1 LEU A 26 6.086 2.500 0.528 1.00 53.31 C ATOM 418 CD2 LEU A 26 3.633 2.748 0.900 1.00 21.34 C ATOM 0 H LEU A 26 6.887 2.469 -2.514 1.00 65.02 H new ATOM 0 HA LEU A 26 5.171 0.146 -1.973 1.00 34.04 H new ATOM 0 HB2 LEU A 26 4.619 3.112 -1.678 1.00 13.24 H new ATOM 0 HB3 LEU A 26 3.396 1.864 -1.544 1.00 13.24 H new ATOM 0 HG LEU A 26 4.670 0.937 0.422 1.00 41.51 H new ATOM 0 HD11 LEU A 26 6.218 2.417 1.607 1.00 53.31 H new ATOM 0 HD12 LEU A 26 6.847 1.905 0.023 1.00 53.31 H new ATOM 0 HD13 LEU A 26 6.184 3.544 0.230 1.00 53.31 H new ATOM 0 HD21 LEU A 26 3.824 2.679 1.971 1.00 21.34 H new ATOM 0 HD22 LEU A 26 3.643 3.795 0.596 1.00 21.34 H new ATOM 0 HD23 LEU A 26 2.658 2.315 0.677 1.00 21.34 H new ATOM 430 N LYS A 27 3.875 0.442 -4.122 1.00 34.30 N ATOM 431 CA LYS A 27 3.232 0.490 -5.407 1.00 45.45 C ATOM 432 C LYS A 27 1.834 -0.065 -5.203 1.00 3.33 C ATOM 433 O LYS A 27 1.662 -1.260 -4.994 1.00 14.35 O ATOM 434 CB LYS A 27 4.040 -0.369 -6.411 1.00 41.53 C ATOM 435 CG LYS A 27 3.739 -0.142 -7.909 1.00 32.04 C ATOM 436 CD LYS A 27 2.386 -0.678 -8.363 1.00 64.14 C ATOM 437 CE LYS A 27 2.323 -2.193 -8.242 1.00 32.44 C ATOM 438 NZ LYS A 27 1.049 -2.727 -8.743 1.00 10.52 N ATOM 0 H LYS A 27 3.593 -0.354 -3.550 1.00 34.30 H new ATOM 0 HA LYS A 27 3.181 1.501 -5.810 1.00 45.45 H new ATOM 0 HB2 LYS A 27 5.101 -0.182 -6.244 1.00 41.53 H new ATOM 0 HB3 LYS A 27 3.862 -1.420 -6.182 1.00 41.53 H new ATOM 0 HG2 LYS A 27 3.783 0.927 -8.119 1.00 32.04 H new ATOM 0 HG3 LYS A 27 4.522 -0.616 -8.501 1.00 32.04 H new ATOM 0 HD2 LYS A 27 1.595 -0.230 -7.762 1.00 64.14 H new ATOM 0 HD3 LYS A 27 2.205 -0.386 -9.397 1.00 64.14 H new ATOM 0 HE2 LYS A 27 3.148 -2.637 -8.800 1.00 32.44 H new ATOM 0 HE3 LYS A 27 2.452 -2.480 -7.199 1.00 32.44 H new ATOM 0 HZ1 LYS A 27 0.860 -3.648 -8.298 1.00 10.52 H new ATOM 0 HZ2 LYS A 27 0.280 -2.066 -8.511 1.00 10.52 H new ATOM 0 HZ3 LYS A 27 1.104 -2.845 -9.775 1.00 10.52 H new ATOM 452 N ILE A 28 0.854 0.788 -5.214 1.00 12.35 N ATOM 453 CA ILE A 28 -0.501 0.352 -4.933 1.00 53.45 C ATOM 454 C ILE A 28 -1.213 -0.128 -6.219 1.00 60.22 C ATOM 455 O ILE A 28 -1.105 0.487 -7.273 1.00 74.14 O ATOM 456 CB ILE A 28 -1.341 1.458 -4.214 1.00 41.44 C ATOM 457 CG1 ILE A 28 -0.555 1.990 -3.012 1.00 61.24 C ATOM 458 CG2 ILE A 28 -2.661 0.866 -3.720 1.00 11.33 C ATOM 459 CD1 ILE A 28 -1.290 3.020 -2.172 1.00 20.41 C ATOM 0 H ILE A 28 0.955 1.784 -5.411 1.00 12.35 H new ATOM 0 HA ILE A 28 -0.424 -0.492 -4.248 1.00 53.45 H new ATOM 0 HB ILE A 28 -1.543 2.267 -4.916 1.00 41.44 H new ATOM 0 HG12 ILE A 28 -0.283 1.149 -2.374 1.00 61.24 H new ATOM 0 HG13 ILE A 28 0.375 2.432 -3.371 1.00 61.24 H new ATOM 0 HG21 ILE A 28 -3.243 1.640 -3.220 1.00 11.33 H new ATOM 0 HG22 ILE A 28 -3.226 0.479 -4.568 1.00 11.33 H new ATOM 0 HG23 ILE A 28 -2.457 0.056 -3.020 1.00 11.33 H new ATOM 0 HD11 ILE A 28 -0.654 3.337 -1.346 1.00 20.41 H new ATOM 0 HD12 ILE A 28 -1.539 3.883 -2.790 1.00 20.41 H new ATOM 0 HD13 ILE A 28 -2.206 2.581 -1.777 1.00 20.41 H new ATOM 471 N LEU A 29 -1.892 -1.235 -6.111 1.00 12.22 N ATOM 472 CA LEU A 29 -2.630 -1.854 -7.195 1.00 34.21 C ATOM 473 C LEU A 29 -4.120 -1.738 -6.924 1.00 13.04 C ATOM 474 O LEU A 29 -4.584 -2.109 -5.854 1.00 72.33 O ATOM 475 CB LEU A 29 -2.219 -3.342 -7.289 1.00 32.25 C ATOM 476 CG LEU A 29 -2.986 -4.230 -8.278 1.00 62.44 C ATOM 477 CD1 LEU A 29 -2.945 -3.656 -9.677 1.00 4.43 C ATOM 478 CD2 LEU A 29 -2.389 -5.617 -8.284 1.00 23.31 C ATOM 0 H LEU A 29 -1.954 -1.756 -5.237 1.00 12.22 H new ATOM 0 HA LEU A 29 -2.405 -1.354 -8.137 1.00 34.21 H new ATOM 0 HB2 LEU A 29 -1.162 -3.383 -7.551 1.00 32.25 H new ATOM 0 HB3 LEU A 29 -2.318 -3.781 -6.296 1.00 32.25 H new ATOM 0 HG LEU A 29 -4.027 -4.275 -7.957 1.00 62.44 H new ATOM 0 HD11 LEU A 29 -3.497 -4.308 -10.354 1.00 4.43 H new ATOM 0 HD12 LEU A 29 -3.399 -2.665 -9.677 1.00 4.43 H new ATOM 0 HD13 LEU A 29 -1.910 -3.581 -10.009 1.00 4.43 H new ATOM 0 HD21 LEU A 29 -2.936 -6.245 -8.987 1.00 23.31 H new ATOM 0 HD22 LEU A 29 -1.343 -5.561 -8.585 1.00 23.31 H new ATOM 0 HD23 LEU A 29 -2.457 -6.047 -7.285 1.00 23.31 H new ATOM 490 N ASN A 30 -4.864 -1.223 -7.868 1.00 44.13 N ATOM 491 CA ASN A 30 -6.294 -1.103 -7.671 1.00 63.34 C ATOM 492 C ASN A 30 -7.013 -2.247 -8.372 1.00 21.41 C ATOM 493 O ASN A 30 -6.706 -2.581 -9.524 1.00 52.23 O ATOM 494 CB ASN A 30 -6.863 0.257 -8.171 1.00 12.44 C ATOM 495 CG ASN A 30 -6.864 0.420 -9.690 1.00 32.31 C ATOM 496 OD1 ASN A 30 -7.828 0.034 -10.366 1.00 11.03 O ATOM 497 ND2 ASN A 30 -5.835 1.003 -10.231 1.00 61.50 N ATOM 0 H ASN A 30 -4.517 -0.885 -8.766 1.00 44.13 H new ATOM 0 HA ASN A 30 -6.469 -1.149 -6.596 1.00 63.34 H new ATOM 0 HB2 ASN A 30 -7.884 0.366 -7.805 1.00 12.44 H new ATOM 0 HB3 ASN A 30 -6.279 1.065 -7.731 1.00 12.44 H new ATOM 0 HD21 ASN A 30 -5.806 1.154 -11.239 1.00 61.50 H new ATOM 0 HD22 ASN A 30 -5.057 1.309 -9.647 1.00 61.50 H new ATOM 504 N THR A 31 -7.916 -2.874 -7.684 1.00 2.00 N ATOM 505 CA THR A 31 -8.733 -3.893 -8.277 1.00 44.24 C ATOM 506 C THR A 31 -10.201 -3.485 -8.111 1.00 1.54 C ATOM 507 O THR A 31 -10.620 -3.138 -7.012 1.00 11.31 O ATOM 508 CB THR A 31 -8.489 -5.263 -7.615 1.00 33.41 C ATOM 509 OG1 THR A 31 -7.092 -5.590 -7.672 1.00 10.14 O ATOM 510 CG2 THR A 31 -9.278 -6.371 -8.302 1.00 42.31 C ATOM 0 H THR A 31 -8.109 -2.697 -6.698 1.00 2.00 H new ATOM 0 HA THR A 31 -8.478 -3.990 -9.332 1.00 44.24 H new ATOM 0 HB THR A 31 -8.823 -5.189 -6.580 1.00 33.41 H new ATOM 0 HG1 THR A 31 -6.985 -6.563 -7.713 1.00 10.14 H new ATOM 0 HG21 THR A 31 -9.079 -7.321 -7.806 1.00 42.31 H new ATOM 0 HG22 THR A 31 -10.343 -6.148 -8.245 1.00 42.31 H new ATOM 0 HG23 THR A 31 -8.977 -6.438 -9.347 1.00 42.31 H new ATOM 518 N PRO A 32 -10.980 -3.520 -9.205 1.00 20.54 N ATOM 519 CA PRO A 32 -12.418 -3.113 -9.248 1.00 24.32 C ATOM 520 C PRO A 32 -13.310 -3.677 -8.124 1.00 42.11 C ATOM 521 O PRO A 32 -14.354 -3.099 -7.806 1.00 10.11 O ATOM 522 CB PRO A 32 -12.877 -3.706 -10.576 1.00 33.33 C ATOM 523 CG PRO A 32 -11.675 -3.646 -11.437 1.00 31.04 C ATOM 524 CD PRO A 32 -10.515 -3.944 -10.539 1.00 5.52 C ATOM 0 HA PRO A 32 -12.505 -2.033 -9.129 1.00 24.32 H new ATOM 0 HB2 PRO A 32 -13.228 -4.731 -10.454 1.00 33.33 H new ATOM 0 HB3 PRO A 32 -13.701 -3.135 -11.003 1.00 33.33 H new ATOM 0 HG2 PRO A 32 -11.738 -4.372 -12.248 1.00 31.04 H new ATOM 0 HG3 PRO A 32 -11.572 -2.663 -11.896 1.00 31.04 H new ATOM 0 HD2 PRO A 32 -10.260 -5.004 -10.555 1.00 5.52 H new ATOM 0 HD3 PRO A 32 -9.623 -3.397 -10.844 1.00 5.52 H new ATOM 532 N ASN A 33 -12.899 -4.777 -7.534 1.00 41.52 N ATOM 533 CA ASN A 33 -13.714 -5.477 -6.554 1.00 11.34 C ATOM 534 C ASN A 33 -12.889 -6.031 -5.398 1.00 35.04 C ATOM 535 O ASN A 33 -13.399 -6.734 -4.547 1.00 22.34 O ATOM 536 CB ASN A 33 -14.504 -6.588 -7.254 1.00 33.11 C ATOM 537 CG ASN A 33 -13.620 -7.502 -8.090 1.00 61.40 C ATOM 538 OD1 ASN A 33 -12.451 -7.750 -7.772 1.00 5.53 O ATOM 539 ND2 ASN A 33 -14.148 -7.968 -9.189 1.00 1.20 N ATOM 0 H ASN A 33 -11.995 -5.214 -7.716 1.00 41.52 H new ATOM 0 HA ASN A 33 -14.407 -4.760 -6.114 1.00 11.34 H new ATOM 0 HB2 ASN A 33 -15.028 -7.182 -6.505 1.00 33.11 H new ATOM 0 HB3 ASN A 33 -15.264 -6.140 -7.894 1.00 33.11 H new ATOM 0 HD21 ASN A 33 -13.593 -8.554 -9.813 1.00 1.20 H new ATOM 0 HD22 ASN A 33 -15.115 -7.746 -9.424 1.00 1.20 H new ATOM 546 N CYS A 34 -11.621 -5.709 -5.370 1.00 61.41 N ATOM 547 CA CYS A 34 -10.761 -6.125 -4.277 1.00 12.12 C ATOM 548 C CYS A 34 -10.118 -4.915 -3.672 1.00 35.10 C ATOM 549 O CYS A 34 -9.214 -5.022 -2.824 1.00 20.33 O ATOM 550 CB CYS A 34 -9.703 -7.126 -4.736 1.00 62.51 C ATOM 551 SG CYS A 34 -10.356 -8.722 -5.326 1.00 61.52 S ATOM 0 H CYS A 34 -11.154 -5.159 -6.091 1.00 61.41 H new ATOM 0 HA CYS A 34 -11.371 -6.631 -3.529 1.00 12.12 H new ATOM 0 HB2 CYS A 34 -9.118 -6.672 -5.536 1.00 62.51 H new ATOM 0 HB3 CYS A 34 -9.019 -7.314 -3.908 1.00 62.51 H new ATOM 556 N ALA A 35 -10.609 -3.749 -4.119 1.00 3.31 N ATOM 557 CA ALA A 35 -10.158 -2.452 -3.672 1.00 2.32 C ATOM 558 C ALA A 35 -8.696 -2.232 -4.013 1.00 43.22 C ATOM 559 O ALA A 35 -8.108 -2.973 -4.830 1.00 22.42 O ATOM 560 CB ALA A 35 -10.408 -2.313 -2.192 1.00 71.23 C ATOM 0 H ALA A 35 -11.349 -3.697 -4.819 1.00 3.31 H new ATOM 0 HA ALA A 35 -10.724 -1.681 -4.194 1.00 2.32 H new ATOM 0 HB1 ALA A 35 -10.067 -1.334 -1.856 1.00 71.23 H new ATOM 0 HB2 ALA A 35 -11.475 -2.414 -1.992 1.00 71.23 H new ATOM 0 HB3 ALA A 35 -9.863 -3.090 -1.656 1.00 71.23 H new ATOM 566 N LEU A 36 -8.117 -1.212 -3.448 1.00 12.01 N ATOM 567 CA LEU A 36 -6.739 -0.967 -3.655 1.00 15.31 C ATOM 568 C LEU A 36 -5.887 -1.752 -2.676 1.00 10.11 C ATOM 569 O LEU A 36 -6.189 -1.841 -1.482 1.00 20.35 O ATOM 570 CB LEU A 36 -6.416 0.539 -3.748 1.00 4.14 C ATOM 571 CG LEU A 36 -6.834 1.464 -2.601 1.00 45.30 C ATOM 572 CD1 LEU A 36 -5.986 1.264 -1.362 1.00 32.34 C ATOM 573 CD2 LEU A 36 -6.777 2.884 -3.065 1.00 61.31 C ATOM 0 H LEU A 36 -8.588 -0.541 -2.841 1.00 12.01 H new ATOM 0 HA LEU A 36 -6.466 -1.350 -4.638 1.00 15.31 H new ATOM 0 HB2 LEU A 36 -5.337 0.636 -3.872 1.00 4.14 H new ATOM 0 HB3 LEU A 36 -6.877 0.918 -4.660 1.00 4.14 H new ATOM 0 HG LEU A 36 -7.856 1.213 -2.318 1.00 45.30 H new ATOM 0 HD11 LEU A 36 -6.322 1.943 -0.578 1.00 32.34 H new ATOM 0 HD12 LEU A 36 -6.083 0.235 -1.017 1.00 32.34 H new ATOM 0 HD13 LEU A 36 -4.942 1.471 -1.598 1.00 32.34 H new ATOM 0 HD21 LEU A 36 -7.074 3.545 -2.251 1.00 61.31 H new ATOM 0 HD22 LEU A 36 -5.760 3.125 -3.375 1.00 61.31 H new ATOM 0 HD23 LEU A 36 -7.455 3.019 -3.908 1.00 61.31 H new ATOM 585 N GLN A 37 -4.887 -2.360 -3.203 1.00 53.41 N ATOM 586 CA GLN A 37 -3.987 -3.217 -2.489 1.00 73.43 C ATOM 587 C GLN A 37 -2.607 -2.672 -2.670 1.00 14.31 C ATOM 588 O GLN A 37 -2.189 -2.401 -3.778 1.00 73.22 O ATOM 589 CB GLN A 37 -4.104 -4.597 -3.092 1.00 5.21 C ATOM 590 CG GLN A 37 -5.475 -5.206 -2.883 1.00 42.10 C ATOM 591 CD GLN A 37 -5.859 -6.124 -3.992 1.00 73.43 C ATOM 592 OE1 GLN A 37 -5.588 -7.323 -3.972 1.00 71.54 O ATOM 593 NE2 GLN A 37 -6.514 -5.562 -4.969 1.00 23.25 N ATOM 0 H GLN A 37 -4.655 -2.275 -4.193 1.00 53.41 H new ATOM 0 HA GLN A 37 -4.215 -3.268 -1.424 1.00 73.43 H new ATOM 0 HB2 GLN A 37 -3.893 -4.543 -4.160 1.00 5.21 H new ATOM 0 HB3 GLN A 37 -3.349 -5.248 -2.651 1.00 5.21 H new ATOM 0 HG2 GLN A 37 -5.488 -5.753 -1.940 1.00 42.10 H new ATOM 0 HG3 GLN A 37 -6.215 -4.410 -2.800 1.00 42.10 H new ATOM 0 HE21 GLN A 37 -6.715 -4.562 -4.940 1.00 23.25 H new ATOM 0 HE22 GLN A 37 -6.826 -6.122 -5.763 1.00 23.25 H new ATOM 602 N ILE A 38 -1.905 -2.523 -1.615 1.00 71.30 N ATOM 603 CA ILE A 38 -0.634 -1.860 -1.661 1.00 4.34 C ATOM 604 C ILE A 38 0.463 -2.890 -1.700 1.00 61.33 C ATOM 605 O ILE A 38 0.405 -3.852 -0.989 1.00 22.43 O ATOM 606 CB ILE A 38 -0.477 -1.031 -0.394 1.00 44.22 C ATOM 607 CG1 ILE A 38 -1.663 -0.084 -0.224 1.00 2.14 C ATOM 608 CG2 ILE A 38 0.860 -0.267 -0.375 1.00 72.24 C ATOM 609 CD1 ILE A 38 -1.664 0.646 1.081 1.00 63.01 C ATOM 0 H ILE A 38 -2.182 -2.851 -0.690 1.00 71.30 H new ATOM 0 HA ILE A 38 -0.577 -1.225 -2.545 1.00 4.34 H new ATOM 0 HB ILE A 38 -0.463 -1.715 0.454 1.00 44.22 H new ATOM 0 HG12 ILE A 38 -1.657 0.642 -1.037 1.00 2.14 H new ATOM 0 HG13 ILE A 38 -2.588 -0.654 -0.313 1.00 2.14 H new ATOM 0 HG21 ILE A 38 0.935 0.313 0.545 1.00 72.24 H new ATOM 0 HG22 ILE A 38 1.686 -0.977 -0.424 1.00 72.24 H new ATOM 0 HG23 ILE A 38 0.907 0.405 -1.232 1.00 72.24 H new ATOM 0 HD11 ILE A 38 -2.535 1.300 1.132 1.00 63.01 H new ATOM 0 HD12 ILE A 38 -1.702 -0.073 1.900 1.00 63.01 H new ATOM 0 HD13 ILE A 38 -0.756 1.244 1.164 1.00 63.01 H new ATOM 621 N VAL A 39 1.425 -2.698 -2.550 1.00 41.54 N ATOM 622 CA VAL A 39 2.556 -3.600 -2.646 1.00 42.44 C ATOM 623 C VAL A 39 3.809 -2.877 -2.205 1.00 53.30 C ATOM 624 O VAL A 39 4.134 -1.823 -2.734 1.00 21.41 O ATOM 625 CB VAL A 39 2.747 -4.093 -4.102 1.00 11.23 C ATOM 626 CG1 VAL A 39 3.965 -4.990 -4.243 1.00 30.35 C ATOM 627 CG2 VAL A 39 1.493 -4.782 -4.618 1.00 44.11 C ATOM 0 H VAL A 39 1.458 -1.914 -3.202 1.00 41.54 H new ATOM 0 HA VAL A 39 2.367 -4.461 -2.005 1.00 42.44 H new ATOM 0 HB VAL A 39 2.924 -3.212 -4.719 1.00 11.23 H new ATOM 0 HG11 VAL A 39 4.061 -5.313 -5.280 1.00 30.35 H new ATOM 0 HG12 VAL A 39 4.859 -4.439 -3.950 1.00 30.35 H new ATOM 0 HG13 VAL A 39 3.850 -5.863 -3.600 1.00 30.35 H new ATOM 0 HG21 VAL A 39 1.657 -5.117 -5.642 1.00 44.11 H new ATOM 0 HG22 VAL A 39 1.264 -5.641 -3.987 1.00 44.11 H new ATOM 0 HG23 VAL A 39 0.658 -4.082 -4.595 1.00 44.11 H new ATOM 637 N ALA A 40 4.498 -3.425 -1.254 1.00 50.44 N ATOM 638 CA ALA A 40 5.713 -2.825 -0.780 1.00 54.33 C ATOM 639 C ALA A 40 6.715 -3.870 -0.419 1.00 13.21 C ATOM 640 O ALA A 40 6.371 -4.905 0.160 1.00 21.35 O ATOM 641 CB ALA A 40 5.453 -1.938 0.398 1.00 52.15 C ATOM 0 H ALA A 40 4.240 -4.293 -0.785 1.00 50.44 H new ATOM 0 HA ALA A 40 6.117 -2.216 -1.589 1.00 54.33 H new ATOM 0 HB1 ALA A 40 6.391 -1.497 0.736 1.00 52.15 H new ATOM 0 HB2 ALA A 40 4.762 -1.145 0.111 1.00 52.15 H new ATOM 0 HB3 ALA A 40 5.016 -2.525 1.206 1.00 52.15 H new ATOM 647 N ARG A 41 7.936 -3.639 -0.781 1.00 42.32 N ATOM 648 CA ARG A 41 8.946 -4.528 -0.469 1.00 65.23 C ATOM 649 C ARG A 41 9.754 -3.997 0.682 1.00 73.15 C ATOM 650 O ARG A 41 9.944 -2.787 0.805 1.00 54.25 O ATOM 651 CB ARG A 41 9.788 -4.717 -1.667 1.00 21.25 C ATOM 652 CG ARG A 41 10.472 -6.013 -1.650 1.00 23.41 C ATOM 653 CD ARG A 41 11.057 -6.332 -2.971 1.00 31.40 C ATOM 654 NE ARG A 41 11.618 -7.677 -3.031 1.00 61.42 N ATOM 655 CZ ARG A 41 11.516 -8.490 -4.091 1.00 33.32 C ATOM 656 NH1 ARG A 41 10.793 -8.120 -5.152 1.00 2.31 N ATOM 657 NH2 ARG A 41 12.123 -9.673 -4.081 1.00 53.02 N ATOM 0 H ARG A 41 8.236 -2.816 -1.304 1.00 42.32 H new ATOM 0 HA ARG A 41 8.529 -5.489 -0.168 1.00 65.23 H new ATOM 0 HB2 ARG A 41 9.170 -4.644 -2.562 1.00 21.25 H new ATOM 0 HB3 ARG A 41 10.526 -3.917 -1.723 1.00 21.25 H new ATOM 0 HG2 ARG A 41 11.258 -6.001 -0.895 1.00 23.41 H new ATOM 0 HG3 ARG A 41 9.768 -6.794 -1.364 1.00 23.41 H new ATOM 0 HD2 ARG A 41 10.289 -6.229 -3.738 1.00 31.40 H new ATOM 0 HD3 ARG A 41 11.837 -5.607 -3.202 1.00 31.40 H new ATOM 0 HE ARG A 41 12.121 -8.021 -2.213 1.00 61.42 H new ATOM 0 HH11 ARG A 41 10.318 -7.217 -5.156 1.00 2.31 H new ATOM 0 HH12 ARG A 41 10.716 -8.740 -5.958 1.00 2.31 H new ATOM 0 HH21 ARG A 41 12.666 -9.961 -3.267 1.00 53.02 H new ATOM 0 HH22 ARG A 41 12.046 -10.293 -4.888 1.00 53.02 H new ATOM 671 N LEU A 42 10.202 -4.884 1.517 1.00 12.41 N ATOM 672 CA LEU A 42 10.993 -4.517 2.665 1.00 12.54 C ATOM 673 C LEU A 42 12.440 -4.401 2.254 1.00 74.13 C ATOM 674 O LEU A 42 12.892 -5.127 1.372 1.00 75.51 O ATOM 675 CB LEU A 42 10.869 -5.572 3.748 1.00 64.23 C ATOM 676 CG LEU A 42 9.440 -5.960 4.158 1.00 14.01 C ATOM 677 CD1 LEU A 42 9.462 -6.996 5.255 1.00 64.04 C ATOM 678 CD2 LEU A 42 8.649 -4.745 4.594 1.00 54.14 C ATOM 0 H LEU A 42 10.032 -5.886 1.427 1.00 12.41 H new ATOM 0 HA LEU A 42 10.634 -3.564 3.052 1.00 12.54 H new ATOM 0 HB2 LEU A 42 11.384 -6.471 3.411 1.00 64.23 H new ATOM 0 HB3 LEU A 42 11.395 -5.217 4.634 1.00 64.23 H new ATOM 0 HG LEU A 42 8.948 -6.390 3.286 1.00 14.01 H new ATOM 0 HD11 LEU A 42 8.440 -7.256 5.530 1.00 64.04 H new ATOM 0 HD12 LEU A 42 9.981 -7.887 4.903 1.00 64.04 H new ATOM 0 HD13 LEU A 42 9.981 -6.594 6.125 1.00 64.04 H new ATOM 0 HD21 LEU A 42 7.642 -5.049 4.878 1.00 54.14 H new ATOM 0 HD22 LEU A 42 9.141 -4.277 5.447 1.00 54.14 H new ATOM 0 HD23 LEU A 42 8.594 -4.032 3.771 1.00 54.14 H new ATOM 690 N LYS A 43 13.151 -3.517 2.885 1.00 32.20 N ATOM 691 CA LYS A 43 14.539 -3.276 2.560 1.00 44.21 C ATOM 692 C LYS A 43 15.437 -4.362 3.120 1.00 43.20 C ATOM 693 O LYS A 43 16.212 -4.985 2.389 1.00 73.44 O ATOM 694 CB LYS A 43 14.986 -1.915 3.101 1.00 14.43 C ATOM 695 CG LYS A 43 14.215 -0.745 2.525 1.00 13.41 C ATOM 696 CD LYS A 43 14.654 0.588 3.099 1.00 65.43 C ATOM 697 CE LYS A 43 16.104 0.883 2.771 1.00 62.31 C ATOM 698 NZ LYS A 43 16.522 2.210 3.261 1.00 64.35 N ATOM 0 H LYS A 43 12.792 -2.937 3.643 1.00 32.20 H new ATOM 0 HA LYS A 43 14.626 -3.283 1.474 1.00 44.21 H new ATOM 0 HB2 LYS A 43 14.876 -1.912 4.185 1.00 14.43 H new ATOM 0 HB3 LYS A 43 16.046 -1.780 2.887 1.00 14.43 H new ATOM 0 HG2 LYS A 43 14.343 -0.729 1.443 1.00 13.41 H new ATOM 0 HG3 LYS A 43 13.152 -0.886 2.718 1.00 13.41 H new ATOM 0 HD2 LYS A 43 14.021 1.382 2.703 1.00 65.43 H new ATOM 0 HD3 LYS A 43 14.518 0.582 4.181 1.00 65.43 H new ATOM 0 HE2 LYS A 43 16.739 0.116 3.214 1.00 62.31 H new ATOM 0 HE3 LYS A 43 16.249 0.833 1.692 1.00 62.31 H new ATOM 0 HZ1 LYS A 43 17.520 2.372 3.016 1.00 64.35 H new ATOM 0 HZ2 LYS A 43 15.933 2.945 2.819 1.00 64.35 H new ATOM 0 HZ3 LYS A 43 16.408 2.250 4.294 1.00 64.35 H new ATOM 712 N ASN A 44 15.309 -4.615 4.404 1.00 62.23 N ATOM 713 CA ASN A 44 16.222 -5.524 5.086 1.00 23.30 C ATOM 714 C ASN A 44 15.876 -6.984 4.822 1.00 11.24 C ATOM 715 O ASN A 44 16.764 -7.823 4.669 1.00 3.04 O ATOM 716 CB ASN A 44 16.251 -5.227 6.596 1.00 54.40 C ATOM 717 CG ASN A 44 17.278 -6.056 7.348 1.00 13.51 C ATOM 718 OD1 ASN A 44 18.437 -5.657 7.466 1.00 64.52 O ATOM 719 ND2 ASN A 44 16.870 -7.182 7.884 1.00 52.32 N ATOM 0 H ASN A 44 14.587 -4.209 5.000 1.00 62.23 H new ATOM 0 HA ASN A 44 17.219 -5.355 4.680 1.00 23.30 H new ATOM 0 HB2 ASN A 44 16.465 -4.169 6.748 1.00 54.40 H new ATOM 0 HB3 ASN A 44 15.263 -5.415 7.016 1.00 54.40 H new ATOM 0 HD21 ASN A 44 17.521 -7.757 8.419 1.00 52.32 H new ATOM 0 HD22 ASN A 44 15.902 -7.482 7.766 1.00 52.32 H new ATOM 726 N ASN A 45 14.603 -7.282 4.751 1.00 72.22 N ATOM 727 CA ASN A 45 14.161 -8.651 4.522 1.00 43.12 C ATOM 728 C ASN A 45 14.178 -8.936 3.015 1.00 13.34 C ATOM 729 O ASN A 45 14.435 -10.053 2.583 1.00 12.03 O ATOM 730 CB ASN A 45 12.728 -8.843 5.057 1.00 63.13 C ATOM 731 CG ASN A 45 12.326 -10.305 5.247 1.00 62.20 C ATOM 732 OD1 ASN A 45 12.866 -11.215 4.621 1.00 14.34 O ATOM 733 ND2 ASN A 45 11.329 -10.529 6.062 1.00 73.31 N ATOM 0 H ASN A 45 13.849 -6.602 4.847 1.00 72.22 H new ATOM 0 HA ASN A 45 14.830 -9.336 5.042 1.00 43.12 H new ATOM 0 HB2 ASN A 45 12.635 -8.324 6.011 1.00 63.13 H new ATOM 0 HB3 ASN A 45 12.028 -8.371 4.368 1.00 63.13 H new ATOM 0 HD21 ASN A 45 10.980 -11.479 6.192 1.00 73.31 H new ATOM 0 HD22 ASN A 45 10.900 -9.754 6.568 1.00 73.31 H new ATOM 740 N ASN A 46 13.906 -7.885 2.220 1.00 33.44 N ATOM 741 CA ASN A 46 13.829 -7.955 0.733 1.00 60.32 C ATOM 742 C ASN A 46 12.570 -8.748 0.300 1.00 42.42 C ATOM 743 O ASN A 46 12.399 -9.119 -0.858 1.00 2.23 O ATOM 744 CB ASN A 46 15.154 -8.527 0.115 1.00 34.54 C ATOM 745 CG ASN A 46 15.229 -8.453 -1.420 1.00 3.10 C ATOM 746 OD1 ASN A 46 14.825 -9.383 -2.131 1.00 33.42 O ATOM 747 ND2 ASN A 46 15.751 -7.361 -1.933 1.00 63.34 N ATOM 0 H ASN A 46 13.730 -6.950 2.587 1.00 33.44 H new ATOM 0 HA ASN A 46 13.728 -6.944 0.337 1.00 60.32 H new ATOM 0 HB2 ASN A 46 16.000 -7.982 0.534 1.00 34.54 H new ATOM 0 HB3 ASN A 46 15.263 -9.567 0.421 1.00 34.54 H new ATOM 0 HD21 ASN A 46 15.833 -7.261 -2.945 1.00 63.34 H new ATOM 0 HD22 ASN A 46 16.074 -6.613 -1.319 1.00 63.34 H new ATOM 754 N ARG A 47 11.665 -8.966 1.239 1.00 44.24 N ATOM 755 CA ARG A 47 10.429 -9.610 0.962 1.00 1.54 C ATOM 756 C ARG A 47 9.416 -8.626 0.479 1.00 2.11 C ATOM 757 O ARG A 47 9.321 -7.516 1.002 1.00 71.24 O ATOM 758 CB ARG A 47 9.921 -10.333 2.180 1.00 52.25 C ATOM 759 CG ARG A 47 10.600 -11.639 2.439 1.00 53.54 C ATOM 760 CD ARG A 47 9.945 -12.303 3.601 1.00 15.41 C ATOM 761 NE ARG A 47 10.331 -13.707 3.742 1.00 12.31 N ATOM 762 CZ ARG A 47 9.659 -14.638 4.440 1.00 73.30 C ATOM 763 NH1 ARG A 47 8.551 -14.321 5.106 1.00 34.24 N ATOM 764 NH2 ARG A 47 10.111 -15.883 4.472 1.00 1.25 N ATOM 0 H ARG A 47 11.785 -8.693 2.215 1.00 44.24 H new ATOM 0 HA ARG A 47 10.599 -10.343 0.173 1.00 1.54 H new ATOM 0 HB2 ARG A 47 10.048 -9.690 3.051 1.00 52.25 H new ATOM 0 HB3 ARG A 47 8.851 -10.508 2.066 1.00 52.25 H new ATOM 0 HG2 ARG A 47 10.539 -12.277 1.557 1.00 53.54 H new ATOM 0 HG3 ARG A 47 11.659 -11.479 2.644 1.00 53.54 H new ATOM 0 HD2 ARG A 47 10.204 -11.766 4.514 1.00 15.41 H new ATOM 0 HD3 ARG A 47 8.863 -12.238 3.489 1.00 15.41 H new ATOM 0 HE ARG A 47 11.184 -14.005 3.269 1.00 12.31 H new ATOM 0 HH11 ARG A 47 8.203 -13.362 5.090 1.00 34.24 H new ATOM 0 HH12 ARG A 47 8.050 -15.037 5.632 1.00 34.24 H new ATOM 0 HH21 ARG A 47 10.964 -16.129 3.969 1.00 1.25 H new ATOM 0 HH22 ARG A 47 9.606 -16.595 5.000 1.00 1.25 H new ATOM 778 N GLN A 48 8.686 -9.010 -0.523 1.00 50.15 N ATOM 779 CA GLN A 48 7.688 -8.177 -1.079 1.00 70.20 C ATOM 780 C GLN A 48 6.346 -8.593 -0.514 1.00 52.10 C ATOM 781 O GLN A 48 5.919 -9.740 -0.688 1.00 11.54 O ATOM 782 CB GLN A 48 7.715 -8.307 -2.594 1.00 2.04 C ATOM 783 CG GLN A 48 6.834 -7.328 -3.299 1.00 10.00 C ATOM 784 CD GLN A 48 6.859 -7.499 -4.795 1.00 51.30 C ATOM 785 OE1 GLN A 48 7.666 -6.876 -5.492 1.00 13.41 O ATOM 786 NE2 GLN A 48 5.993 -8.348 -5.302 1.00 20.13 N ATOM 0 H GLN A 48 8.774 -9.920 -0.975 1.00 50.15 H new ATOM 0 HA GLN A 48 7.867 -7.132 -0.826 1.00 70.20 H new ATOM 0 HB2 GLN A 48 8.740 -8.176 -2.942 1.00 2.04 H new ATOM 0 HB3 GLN A 48 7.412 -9.317 -2.868 1.00 2.04 H new ATOM 0 HG2 GLN A 48 5.811 -7.442 -2.941 1.00 10.00 H new ATOM 0 HG3 GLN A 48 7.148 -6.315 -3.047 1.00 10.00 H new ATOM 0 HE21 GLN A 48 5.344 -8.842 -4.689 1.00 20.13 H new ATOM 0 HE22 GLN A 48 5.970 -8.513 -6.308 1.00 20.13 H new ATOM 795 N VAL A 49 5.696 -7.685 0.154 1.00 41.43 N ATOM 796 CA VAL A 49 4.433 -7.959 0.801 1.00 12.23 C ATOM 797 C VAL A 49 3.408 -6.928 0.386 1.00 12.14 C ATOM 798 O VAL A 49 3.704 -6.024 -0.406 1.00 32.32 O ATOM 799 CB VAL A 49 4.561 -7.949 2.364 1.00 62.24 C ATOM 800 CG1 VAL A 49 5.487 -9.058 2.850 1.00 40.53 C ATOM 801 CG2 VAL A 49 5.055 -6.589 2.868 1.00 30.50 C ATOM 0 H VAL A 49 6.024 -6.726 0.270 1.00 41.43 H new ATOM 0 HA VAL A 49 4.118 -8.955 0.490 1.00 12.23 H new ATOM 0 HB VAL A 49 3.567 -8.129 2.773 1.00 62.24 H new ATOM 0 HG11 VAL A 49 5.555 -9.025 3.937 1.00 40.53 H new ATOM 0 HG12 VAL A 49 5.090 -10.025 2.541 1.00 40.53 H new ATOM 0 HG13 VAL A 49 6.479 -8.918 2.420 1.00 40.53 H new ATOM 0 HG21 VAL A 49 5.134 -6.611 3.955 1.00 30.50 H new ATOM 0 HG22 VAL A 49 6.033 -6.375 2.437 1.00 30.50 H new ATOM 0 HG23 VAL A 49 4.350 -5.813 2.571 1.00 30.50 H new ATOM 811 N CYS A 50 2.224 -7.061 0.894 1.00 73.30 N ATOM 812 CA CYS A 50 1.196 -6.113 0.625 1.00 44.43 C ATOM 813 C CYS A 50 0.955 -5.287 1.853 1.00 32.44 C ATOM 814 O CYS A 50 1.157 -5.762 2.967 1.00 53.42 O ATOM 815 CB CYS A 50 -0.087 -6.795 0.178 1.00 61.34 C ATOM 816 SG CYS A 50 0.123 -7.817 -1.333 1.00 41.20 S ATOM 0 H CYS A 50 1.945 -7.829 1.505 1.00 73.30 H new ATOM 0 HA CYS A 50 1.520 -5.468 -0.192 1.00 44.43 H new ATOM 0 HB2 CYS A 50 -0.456 -7.426 0.987 1.00 61.34 H new ATOM 0 HB3 CYS A 50 -0.848 -6.037 -0.007 1.00 61.34 H new ATOM 821 N ILE A 51 0.558 -4.069 1.666 1.00 75.34 N ATOM 822 CA ILE A 51 0.290 -3.198 2.760 1.00 23.42 C ATOM 823 C ILE A 51 -1.175 -2.920 2.852 1.00 63.34 C ATOM 824 O ILE A 51 -1.871 -2.787 1.833 1.00 14.53 O ATOM 825 CB ILE A 51 1.070 -1.865 2.681 1.00 52.31 C ATOM 826 CG1 ILE A 51 2.549 -2.140 2.614 1.00 62.34 C ATOM 827 CG2 ILE A 51 0.755 -0.966 3.872 1.00 74.23 C ATOM 828 CD1 ILE A 51 3.398 -0.886 2.747 1.00 53.14 C ATOM 0 H ILE A 51 0.411 -3.651 0.747 1.00 75.34 H new ATOM 0 HA ILE A 51 0.631 -3.715 3.657 1.00 23.42 H new ATOM 0 HB ILE A 51 0.758 -1.342 1.777 1.00 52.31 H new ATOM 0 HG12 ILE A 51 2.818 -2.839 3.406 1.00 62.34 H new ATOM 0 HG13 ILE A 51 2.779 -2.628 1.667 1.00 62.34 H new ATOM 0 HG21 ILE A 51 1.319 -0.037 3.786 1.00 74.23 H new ATOM 0 HG22 ILE A 51 -0.312 -0.742 3.887 1.00 74.23 H new ATOM 0 HG23 ILE A 51 1.032 -1.475 4.795 1.00 74.23 H new ATOM 0 HD11 ILE A 51 4.453 -1.153 2.691 1.00 53.14 H new ATOM 0 HD12 ILE A 51 3.155 -0.195 1.940 1.00 53.14 H new ATOM 0 HD13 ILE A 51 3.195 -0.409 3.706 1.00 53.14 H new ATOM 840 N ASP A 52 -1.631 -2.876 4.055 1.00 33.14 N ATOM 841 CA ASP A 52 -2.983 -2.582 4.369 1.00 4.32 C ATOM 842 C ASP A 52 -3.263 -1.100 4.171 1.00 51.21 C ATOM 843 O ASP A 52 -2.534 -0.245 4.688 1.00 71.04 O ATOM 844 CB ASP A 52 -3.221 -2.971 5.783 1.00 11.13 C ATOM 845 CG ASP A 52 -4.616 -2.712 6.233 1.00 52.13 C ATOM 846 OD1 ASP A 52 -4.880 -1.619 6.721 1.00 11.24 O ATOM 847 OD2 ASP A 52 -5.464 -3.615 6.116 1.00 2.21 O ATOM 0 H ASP A 52 -1.051 -3.050 4.876 1.00 33.14 H new ATOM 0 HA ASP A 52 -3.651 -3.137 3.710 1.00 4.32 H new ATOM 0 HB2 ASP A 52 -2.997 -4.031 5.905 1.00 11.13 H new ATOM 0 HB3 ASP A 52 -2.531 -2.424 6.425 1.00 11.13 H new ATOM 852 N PRO A 53 -4.317 -0.776 3.429 1.00 42.30 N ATOM 853 CA PRO A 53 -4.652 0.600 3.097 1.00 72.50 C ATOM 854 C PRO A 53 -5.198 1.422 4.259 1.00 12.53 C ATOM 855 O PRO A 53 -5.313 2.635 4.137 1.00 74.54 O ATOM 856 CB PRO A 53 -5.707 0.457 2.009 1.00 32.13 C ATOM 857 CG PRO A 53 -6.341 -0.858 2.272 1.00 71.21 C ATOM 858 CD PRO A 53 -5.266 -1.735 2.835 1.00 35.45 C ATOM 0 HA PRO A 53 -3.757 1.146 2.797 1.00 72.50 H new ATOM 0 HB2 PRO A 53 -6.437 1.265 2.056 1.00 32.13 H new ATOM 0 HB3 PRO A 53 -5.259 0.489 1.016 1.00 32.13 H new ATOM 0 HG2 PRO A 53 -7.169 -0.758 2.974 1.00 71.21 H new ATOM 0 HG3 PRO A 53 -6.750 -1.283 1.355 1.00 71.21 H new ATOM 0 HD2 PRO A 53 -5.660 -2.425 3.581 1.00 35.45 H new ATOM 0 HD3 PRO A 53 -4.794 -2.339 2.060 1.00 35.45 H new ATOM 866 N LYS A 54 -5.525 0.796 5.378 1.00 45.44 N ATOM 867 CA LYS A 54 -6.066 1.552 6.472 1.00 63.44 C ATOM 868 C LYS A 54 -5.062 1.743 7.593 1.00 32.33 C ATOM 869 O LYS A 54 -5.426 2.148 8.708 1.00 10.22 O ATOM 870 CB LYS A 54 -7.406 1.009 6.958 1.00 71.32 C ATOM 871 CG LYS A 54 -7.412 -0.353 7.561 1.00 14.20 C ATOM 872 CD LYS A 54 -8.811 -0.715 7.963 1.00 42.30 C ATOM 873 CE LYS A 54 -9.725 -0.910 6.750 1.00 4.15 C ATOM 874 NZ LYS A 54 -11.091 -1.322 7.138 1.00 73.24 N ATOM 0 H LYS A 54 -5.426 -0.206 5.542 1.00 45.44 H new ATOM 0 HA LYS A 54 -6.277 2.548 6.083 1.00 63.44 H new ATOM 0 HB2 LYS A 54 -7.805 1.706 7.695 1.00 71.32 H new ATOM 0 HB3 LYS A 54 -8.096 1.007 6.114 1.00 71.32 H new ATOM 0 HG2 LYS A 54 -7.028 -1.081 6.846 1.00 14.20 H new ATOM 0 HG3 LYS A 54 -6.754 -0.381 8.429 1.00 14.20 H new ATOM 0 HD2 LYS A 54 -8.793 -1.631 8.554 1.00 42.30 H new ATOM 0 HD3 LYS A 54 -9.219 0.068 8.602 1.00 42.30 H new ATOM 0 HE2 LYS A 54 -9.775 0.019 6.183 1.00 4.15 H new ATOM 0 HE3 LYS A 54 -9.294 -1.663 6.090 1.00 4.15 H new ATOM 0 HZ1 LYS A 54 -11.673 -1.442 6.285 1.00 73.24 H new ATOM 0 HZ2 LYS A 54 -11.048 -2.222 7.657 1.00 73.24 H new ATOM 0 HZ3 LYS A 54 -11.514 -0.592 7.746 1.00 73.24 H new ATOM 888 N LEU A 55 -3.778 1.471 7.298 1.00 11.41 N ATOM 889 CA LEU A 55 -2.708 1.782 8.229 1.00 43.14 C ATOM 890 C LEU A 55 -2.666 3.277 8.481 1.00 43.34 C ATOM 891 O LEU A 55 -2.863 4.082 7.561 1.00 30.32 O ATOM 892 CB LEU A 55 -1.341 1.304 7.726 1.00 43.52 C ATOM 893 CG LEU A 55 -1.017 -0.186 7.823 1.00 61.43 C ATOM 894 CD1 LEU A 55 0.341 -0.445 7.211 1.00 63.44 C ATOM 895 CD2 LEU A 55 -0.989 -0.630 9.268 1.00 70.22 C ATOM 0 H LEU A 55 -3.470 1.040 6.426 1.00 11.41 H new ATOM 0 HA LEU A 55 -2.919 1.251 9.157 1.00 43.14 H new ATOM 0 HB2 LEU A 55 -1.250 1.597 6.680 1.00 43.52 H new ATOM 0 HB3 LEU A 55 -0.574 1.848 8.278 1.00 43.52 H new ATOM 0 HG LEU A 55 -1.787 -0.744 7.290 1.00 61.43 H new ATOM 0 HD11 LEU A 55 0.574 -1.508 7.279 1.00 63.44 H new ATOM 0 HD12 LEU A 55 0.332 -0.142 6.164 1.00 63.44 H new ATOM 0 HD13 LEU A 55 1.097 0.128 7.748 1.00 63.44 H new ATOM 0 HD21 LEU A 55 -0.757 -1.694 9.317 1.00 70.22 H new ATOM 0 HD22 LEU A 55 -0.227 -0.067 9.807 1.00 70.22 H new ATOM 0 HD23 LEU A 55 -1.963 -0.450 9.723 1.00 70.22 H new ATOM 907 N LYS A 56 -2.389 3.636 9.703 1.00 31.44 N ATOM 908 CA LYS A 56 -2.405 5.013 10.139 1.00 55.41 C ATOM 909 C LYS A 56 -1.359 5.869 9.405 1.00 52.55 C ATOM 910 O LYS A 56 -1.667 6.972 8.956 1.00 31.33 O ATOM 911 CB LYS A 56 -2.253 5.087 11.669 1.00 1.15 C ATOM 912 CG LYS A 56 -2.249 6.488 12.237 1.00 73.25 C ATOM 913 CD LYS A 56 -2.134 6.471 13.752 1.00 54.34 C ATOM 914 CE LYS A 56 -2.090 7.881 14.313 1.00 1.02 C ATOM 915 NZ LYS A 56 -2.027 7.892 15.782 1.00 20.33 N ATOM 0 H LYS A 56 -2.142 2.974 10.439 1.00 31.44 H new ATOM 0 HA LYS A 56 -3.373 5.440 9.876 1.00 55.41 H new ATOM 0 HB2 LYS A 56 -3.066 4.526 12.129 1.00 1.15 H new ATOM 0 HB3 LYS A 56 -1.324 4.592 11.952 1.00 1.15 H new ATOM 0 HG2 LYS A 56 -1.418 7.052 11.814 1.00 73.25 H new ATOM 0 HG3 LYS A 56 -3.164 7.003 11.946 1.00 73.25 H new ATOM 0 HD2 LYS A 56 -2.981 5.933 14.178 1.00 54.34 H new ATOM 0 HD3 LYS A 56 -1.234 5.931 14.045 1.00 54.34 H new ATOM 0 HE2 LYS A 56 -1.223 8.404 13.910 1.00 1.02 H new ATOM 0 HE3 LYS A 56 -2.973 8.429 13.985 1.00 1.02 H new ATOM 0 HZ1 LYS A 56 -1.999 8.875 16.121 1.00 20.33 H new ATOM 0 HZ2 LYS A 56 -2.867 7.416 16.169 1.00 20.33 H new ATOM 0 HZ3 LYS A 56 -1.171 7.392 16.097 1.00 20.33 H new ATOM 929 N TRP A 57 -0.141 5.356 9.237 1.00 22.14 N ATOM 930 CA TRP A 57 0.866 6.139 8.524 1.00 12.54 C ATOM 931 C TRP A 57 0.581 6.126 7.024 1.00 12.42 C ATOM 932 O TRP A 57 0.957 7.046 6.295 1.00 63.34 O ATOM 933 CB TRP A 57 2.309 5.693 8.817 1.00 71.24 C ATOM 934 CG TRP A 57 2.693 4.344 8.297 1.00 55.35 C ATOM 935 CD1 TRP A 57 2.637 3.157 8.953 1.00 43.13 C ATOM 936 CD2 TRP A 57 3.220 4.060 7.002 1.00 23.21 C ATOM 937 NE1 TRP A 57 3.091 2.162 8.146 1.00 41.32 N ATOM 938 CE2 TRP A 57 3.457 2.687 6.945 1.00 71.32 C ATOM 939 CE3 TRP A 57 3.514 4.845 5.886 1.00 4.14 C ATOM 940 CZ2 TRP A 57 3.969 2.072 5.821 1.00 61.14 C ATOM 941 CZ3 TRP A 57 4.024 4.237 4.768 1.00 71.33 C ATOM 942 CH2 TRP A 57 4.249 2.863 4.740 1.00 74.13 C ATOM 0 H TRP A 57 0.164 4.441 9.569 1.00 22.14 H new ATOM 0 HA TRP A 57 0.790 7.161 8.896 1.00 12.54 H new ATOM 0 HB2 TRP A 57 2.990 6.432 8.394 1.00 71.24 H new ATOM 0 HB3 TRP A 57 2.460 5.702 9.897 1.00 71.24 H new ATOM 0 HD1 TRP A 57 2.284 3.023 9.965 1.00 43.13 H new ATOM 0 HE1 TRP A 57 3.148 1.176 8.401 1.00 41.32 H new ATOM 0 HE3 TRP A 57 3.343 5.911 5.903 1.00 4.14 H new ATOM 0 HZ2 TRP A 57 4.142 1.006 5.795 1.00 61.14 H new ATOM 0 HZ3 TRP A 57 4.255 4.832 3.897 1.00 71.33 H new ATOM 0 HH2 TRP A 57 4.653 2.412 3.846 1.00 74.13 H new ATOM 953 N ILE A 58 -0.098 5.075 6.570 1.00 31.14 N ATOM 954 CA ILE A 58 -0.511 4.969 5.178 1.00 42.30 C ATOM 955 C ILE A 58 -1.508 6.074 4.852 1.00 42.14 C ATOM 956 O ILE A 58 -1.544 6.589 3.736 1.00 25.31 O ATOM 957 CB ILE A 58 -1.079 3.541 4.840 1.00 43.10 C ATOM 958 CG1 ILE A 58 0.054 2.504 4.778 1.00 12.41 C ATOM 959 CG2 ILE A 58 -1.865 3.526 3.550 1.00 42.40 C ATOM 960 CD1 ILE A 58 1.040 2.757 3.653 1.00 13.33 C ATOM 0 H ILE A 58 -0.373 4.283 7.151 1.00 31.14 H new ATOM 0 HA ILE A 58 0.367 5.100 4.545 1.00 42.30 H new ATOM 0 HB ILE A 58 -1.764 3.277 5.646 1.00 43.10 H new ATOM 0 HG12 ILE A 58 0.589 2.504 5.728 1.00 12.41 H new ATOM 0 HG13 ILE A 58 -0.378 1.511 4.656 1.00 12.41 H new ATOM 0 HG21 ILE A 58 -2.236 2.518 3.361 1.00 42.40 H new ATOM 0 HG22 ILE A 58 -2.707 4.213 3.629 1.00 42.40 H new ATOM 0 HG23 ILE A 58 -1.220 3.835 2.727 1.00 42.40 H new ATOM 0 HD11 ILE A 58 1.813 1.989 3.667 1.00 13.33 H new ATOM 0 HD12 ILE A 58 0.517 2.728 2.697 1.00 13.33 H new ATOM 0 HD13 ILE A 58 1.500 3.736 3.785 1.00 13.33 H new ATOM 972 N GLN A 59 -2.280 6.468 5.846 1.00 12.11 N ATOM 973 CA GLN A 59 -3.201 7.567 5.681 1.00 35.53 C ATOM 974 C GLN A 59 -2.444 8.867 5.479 1.00 24.24 C ATOM 975 O GLN A 59 -2.873 9.707 4.733 1.00 54.41 O ATOM 976 CB GLN A 59 -4.182 7.654 6.843 1.00 0.25 C ATOM 977 CG GLN A 59 -5.060 6.423 6.971 1.00 72.24 C ATOM 978 CD GLN A 59 -5.869 6.155 5.712 1.00 44.44 C ATOM 979 OE1 GLN A 59 -6.986 6.631 5.566 1.00 54.01 O ATOM 980 NE2 GLN A 59 -5.311 5.391 4.805 1.00 41.35 N ATOM 0 H GLN A 59 -2.285 6.042 6.773 1.00 12.11 H new ATOM 0 HA GLN A 59 -3.794 7.384 4.785 1.00 35.53 H new ATOM 0 HB2 GLN A 59 -3.627 7.796 7.770 1.00 0.25 H new ATOM 0 HB3 GLN A 59 -4.814 8.532 6.713 1.00 0.25 H new ATOM 0 HG2 GLN A 59 -4.436 5.556 7.190 1.00 72.24 H new ATOM 0 HG3 GLN A 59 -5.738 6.550 7.815 1.00 72.24 H new ATOM 0 HE21 GLN A 59 -4.377 5.012 4.962 1.00 41.35 H new ATOM 0 HE22 GLN A 59 -5.811 5.176 3.942 1.00 41.35 H new ATOM 989 N GLU A 60 -1.292 9.002 6.128 1.00 71.52 N ATOM 990 CA GLU A 60 -0.431 10.169 5.931 1.00 51.14 C ATOM 991 C GLU A 60 0.168 10.138 4.529 1.00 35.11 C ATOM 992 O GLU A 60 0.261 11.172 3.853 1.00 64.04 O ATOM 993 CB GLU A 60 0.686 10.212 6.972 1.00 72.13 C ATOM 994 CG GLU A 60 0.201 10.375 8.391 1.00 24.12 C ATOM 995 CD GLU A 60 -0.591 11.645 8.576 1.00 0.22 C ATOM 996 OE1 GLU A 60 0.025 12.740 8.655 1.00 14.13 O ATOM 997 OE2 GLU A 60 -1.841 11.576 8.628 1.00 54.52 O ATOM 0 H GLU A 60 -0.931 8.320 6.795 1.00 71.52 H new ATOM 0 HA GLU A 60 -1.039 11.066 6.048 1.00 51.14 H new ATOM 0 HB2 GLU A 60 1.269 9.293 6.902 1.00 72.13 H new ATOM 0 HB3 GLU A 60 1.359 11.035 6.733 1.00 72.13 H new ATOM 0 HG2 GLU A 60 -0.417 9.520 8.663 1.00 24.12 H new ATOM 0 HG3 GLU A 60 1.055 10.379 9.068 1.00 24.12 H new ATOM 1004 N TYR A 61 0.575 8.942 4.114 1.00 53.42 N ATOM 1005 CA TYR A 61 1.106 8.682 2.774 1.00 75.21 C ATOM 1006 C TYR A 61 0.102 9.127 1.711 1.00 54.52 C ATOM 1007 O TYR A 61 0.420 9.905 0.795 1.00 63.12 O ATOM 1008 CB TYR A 61 1.380 7.163 2.631 1.00 12.32 C ATOM 1009 CG TYR A 61 1.783 6.705 1.244 1.00 12.14 C ATOM 1010 CD1 TYR A 61 2.978 7.104 0.657 1.00 23.05 C ATOM 1011 CD2 TYR A 61 0.939 5.888 0.517 1.00 21.54 C ATOM 1012 CE1 TYR A 61 3.312 6.686 -0.621 1.00 20.44 C ATOM 1013 CE2 TYR A 61 1.250 5.469 -0.747 1.00 52.11 C ATOM 1014 CZ TYR A 61 2.442 5.866 -1.321 1.00 3.32 C ATOM 1015 OH TYR A 61 2.767 5.450 -2.603 1.00 43.32 O ATOM 0 H TYR A 61 0.546 8.112 4.706 1.00 53.42 H new ATOM 0 HA TYR A 61 2.030 9.243 2.635 1.00 75.21 H new ATOM 0 HB2 TYR A 61 2.168 6.885 3.331 1.00 12.32 H new ATOM 0 HB3 TYR A 61 0.484 6.619 2.929 1.00 12.32 H new ATOM 0 HD1 TYR A 61 3.653 7.746 1.203 1.00 23.05 H new ATOM 0 HD2 TYR A 61 0.006 5.571 0.960 1.00 21.54 H new ATOM 0 HE1 TYR A 61 4.244 6.997 -1.069 1.00 20.44 H new ATOM 0 HE2 TYR A 61 0.569 4.833 -1.292 1.00 52.11 H new ATOM 0 HH TYR A 61 2.051 4.880 -2.953 1.00 43.32 H new ATOM 1025 N LEU A 62 -1.093 8.642 1.855 1.00 74.55 N ATOM 1026 CA LEU A 62 -2.143 8.909 0.934 1.00 72.05 C ATOM 1027 C LEU A 62 -2.684 10.301 1.030 1.00 71.02 C ATOM 1028 O LEU A 62 -2.987 10.895 0.026 1.00 0.32 O ATOM 1029 CB LEU A 62 -3.175 7.839 1.029 1.00 64.44 C ATOM 1030 CG LEU A 62 -2.641 6.532 0.484 1.00 54.22 C ATOM 1031 CD1 LEU A 62 -3.431 5.391 0.938 1.00 15.13 C ATOM 1032 CD2 LEU A 62 -2.605 6.556 -1.031 1.00 1.11 C ATOM 0 H LEU A 62 -1.366 8.039 2.631 1.00 74.55 H new ATOM 0 HA LEU A 62 -1.732 8.878 -0.075 1.00 72.05 H new ATOM 0 HB2 LEU A 62 -3.477 7.709 2.068 1.00 64.44 H new ATOM 0 HB3 LEU A 62 -4.065 8.134 0.473 1.00 64.44 H new ATOM 0 HG LEU A 62 -1.627 6.418 0.867 1.00 54.22 H new ATOM 0 HD11 LEU A 62 -3.015 4.472 0.524 1.00 15.13 H new ATOM 0 HD12 LEU A 62 -3.407 5.342 2.027 1.00 15.13 H new ATOM 0 HD13 LEU A 62 -4.462 5.505 0.602 1.00 15.13 H new ATOM 0 HD21 LEU A 62 -2.218 5.607 -1.401 1.00 1.11 H new ATOM 0 HD22 LEU A 62 -3.613 6.712 -1.416 1.00 1.11 H new ATOM 0 HD23 LEU A 62 -1.959 7.367 -1.367 1.00 1.11 H new ATOM 1044 N GLU A 63 -2.772 10.839 2.238 1.00 53.22 N ATOM 1045 CA GLU A 63 -3.199 12.214 2.429 1.00 60.20 C ATOM 1046 C GLU A 63 -2.252 13.130 1.670 1.00 42.50 C ATOM 1047 O GLU A 63 -2.674 14.096 1.023 1.00 24.24 O ATOM 1048 CB GLU A 63 -3.204 12.558 3.913 1.00 2.05 C ATOM 1049 CG GLU A 63 -3.751 13.919 4.244 1.00 15.21 C ATOM 1050 CD GLU A 63 -3.796 14.158 5.725 1.00 52.01 C ATOM 1051 OE1 GLU A 63 -4.816 13.809 6.364 1.00 1.25 O ATOM 1052 OE2 GLU A 63 -2.819 14.688 6.286 1.00 12.40 O ATOM 0 H GLU A 63 -2.552 10.342 3.101 1.00 53.22 H new ATOM 0 HA GLU A 63 -4.212 12.345 2.048 1.00 60.20 H new ATOM 0 HB2 GLU A 63 -3.790 11.808 4.443 1.00 2.05 H new ATOM 0 HB3 GLU A 63 -2.184 12.491 4.290 1.00 2.05 H new ATOM 0 HG2 GLU A 63 -3.134 14.683 3.771 1.00 15.21 H new ATOM 0 HG3 GLU A 63 -4.754 14.018 3.829 1.00 15.21 H new ATOM 1059 N LYS A 64 -0.974 12.796 1.736 1.00 5.21 N ATOM 1060 CA LYS A 64 0.053 13.488 1.002 1.00 73.32 C ATOM 1061 C LYS A 64 -0.246 13.440 -0.491 1.00 74.14 C ATOM 1062 O LYS A 64 -0.635 14.441 -1.089 1.00 25.30 O ATOM 1063 CB LYS A 64 1.397 12.815 1.240 1.00 63.20 C ATOM 1064 CG LYS A 64 2.529 13.389 0.415 1.00 44.43 C ATOM 1065 CD LYS A 64 2.917 14.795 0.860 1.00 63.24 C ATOM 1066 CE LYS A 64 3.467 14.807 2.278 1.00 33.43 C ATOM 1067 NZ LYS A 64 3.736 16.177 2.759 1.00 44.21 N ATOM 0 H LYS A 64 -0.625 12.028 2.309 1.00 5.21 H new ATOM 0 HA LYS A 64 0.082 14.523 1.342 1.00 73.32 H new ATOM 0 HB2 LYS A 64 1.652 12.900 2.296 1.00 63.20 H new ATOM 0 HB3 LYS A 64 1.303 11.752 1.019 1.00 63.20 H new ATOM 0 HG2 LYS A 64 3.397 12.735 0.489 1.00 44.43 H new ATOM 0 HG3 LYS A 64 2.235 13.411 -0.634 1.00 44.43 H new ATOM 0 HD2 LYS A 64 3.664 15.199 0.177 1.00 63.24 H new ATOM 0 HD3 LYS A 64 2.046 15.448 0.802 1.00 63.24 H new ATOM 0 HE2 LYS A 64 2.755 14.322 2.946 1.00 33.43 H new ATOM 0 HE3 LYS A 64 4.387 14.224 2.314 1.00 33.43 H new ATOM 0 HZ1 LYS A 64 4.109 16.137 3.729 1.00 44.21 H new ATOM 0 HZ2 LYS A 64 4.435 16.632 2.137 1.00 44.21 H new ATOM 0 HZ3 LYS A 64 2.854 16.728 2.750 1.00 44.21 H new ATOM 1081 N ALA A 65 -0.092 12.251 -1.060 1.00 43.13 N ATOM 1082 CA ALA A 65 -0.269 12.016 -2.499 1.00 33.43 C ATOM 1083 C ALA A 65 -1.642 12.455 -3.042 1.00 72.44 C ATOM 1084 O ALA A 65 -1.727 12.983 -4.150 1.00 42.34 O ATOM 1085 CB ALA A 65 -0.027 10.552 -2.824 1.00 2.32 C ATOM 0 H ALA A 65 0.161 11.412 -0.537 1.00 43.13 H new ATOM 0 HA ALA A 65 0.470 12.643 -2.998 1.00 33.43 H new ATOM 0 HB1 ALA A 65 -0.161 10.390 -3.893 1.00 2.32 H new ATOM 0 HB2 ALA A 65 0.990 10.280 -2.540 1.00 2.32 H new ATOM 0 HB3 ALA A 65 -0.736 9.935 -2.272 1.00 2.32 H new ATOM 1091 N LEU A 66 -2.694 12.259 -2.278 1.00 52.32 N ATOM 1092 CA LEU A 66 -4.025 12.616 -2.744 1.00 32.12 C ATOM 1093 C LEU A 66 -4.277 14.122 -2.671 1.00 40.20 C ATOM 1094 O LEU A 66 -4.956 14.682 -3.536 1.00 44.21 O ATOM 1095 CB LEU A 66 -5.120 11.839 -1.998 1.00 31.42 C ATOM 1096 CG LEU A 66 -5.069 10.302 -2.120 1.00 34.42 C ATOM 1097 CD1 LEU A 66 -6.182 9.662 -1.307 1.00 1.23 C ATOM 1098 CD2 LEU A 66 -5.151 9.862 -3.577 1.00 33.35 C ATOM 0 H LEU A 66 -2.660 11.859 -1.340 1.00 52.32 H new ATOM 0 HA LEU A 66 -4.071 12.328 -3.794 1.00 32.12 H new ATOM 0 HB2 LEU A 66 -5.066 12.101 -0.941 1.00 31.42 H new ATOM 0 HB3 LEU A 66 -6.090 12.179 -2.362 1.00 31.42 H new ATOM 0 HG LEU A 66 -4.112 9.967 -1.721 1.00 34.42 H new ATOM 0 HD11 LEU A 66 -6.128 8.578 -1.407 1.00 1.23 H new ATOM 0 HD12 LEU A 66 -6.070 9.936 -0.258 1.00 1.23 H new ATOM 0 HD13 LEU A 66 -7.147 10.012 -1.672 1.00 1.23 H new ATOM 0 HD21 LEU A 66 -5.113 8.774 -3.631 1.00 33.35 H new ATOM 0 HD22 LEU A 66 -6.087 10.214 -4.011 1.00 33.35 H new ATOM 0 HD23 LEU A 66 -4.312 10.283 -4.132 1.00 33.35 H new ATOM 1110 N ASN A 67 -3.737 14.791 -1.653 1.00 35.10 N ATOM 1111 CA ASN A 67 -3.925 16.249 -1.538 1.00 64.42 C ATOM 1112 C ASN A 67 -2.846 17.005 -2.298 1.00 45.21 C ATOM 1113 O ASN A 67 -2.915 18.227 -2.439 1.00 31.21 O ATOM 1114 CB ASN A 67 -3.959 16.727 -0.072 1.00 53.40 C ATOM 1115 CG ASN A 67 -5.140 16.196 0.739 1.00 40.52 C ATOM 1116 OD1 ASN A 67 -5.649 15.093 0.508 1.00 72.01 O ATOM 1117 ND2 ASN A 67 -5.582 16.979 1.691 1.00 14.34 N ATOM 0 H ASN A 67 -3.179 14.367 -0.911 1.00 35.10 H new ATOM 0 HA ASN A 67 -4.896 16.466 -1.982 1.00 64.42 H new ATOM 0 HB2 ASN A 67 -3.033 16.425 0.417 1.00 53.40 H new ATOM 0 HB3 ASN A 67 -3.986 17.817 -0.059 1.00 53.40 H new ATOM 0 HD21 ASN A 67 -6.369 16.685 2.269 1.00 14.34 H new ATOM 0 HD22 ASN A 67 -5.139 17.883 1.855 1.00 14.34 H new ATOM 1124 N LYS A 68 -1.845 16.268 -2.745 1.00 2.54 N ATOM 1125 CA LYS A 68 -0.735 16.770 -3.540 1.00 4.15 C ATOM 1126 C LYS A 68 -1.238 17.414 -4.829 1.00 2.23 C ATOM 1127 O LYS A 68 -1.672 16.672 -5.740 1.00 37.58 O ATOM 1128 CB LYS A 68 0.196 15.613 -3.860 1.00 21.00 C ATOM 1129 CG LYS A 68 1.408 15.964 -4.683 1.00 3.30 C ATOM 1130 CD LYS A 68 2.217 14.722 -4.937 1.00 72.21 C ATOM 1131 CE LYS A 68 3.412 14.999 -5.816 1.00 30.11 C ATOM 1132 NZ LYS A 68 4.153 13.767 -6.133 1.00 74.11 N ATOM 1133 OXT LYS A 68 -1.177 18.651 -4.948 1.00 37.58 O ATOM 0 H LYS A 68 -1.779 15.267 -2.558 1.00 2.54 H new ATOM 0 HA LYS A 68 -0.201 17.533 -2.973 1.00 4.15 H new ATOM 0 HB2 LYS A 68 0.531 15.169 -2.923 1.00 21.00 H new ATOM 0 HB3 LYS A 68 -0.372 14.848 -4.390 1.00 21.00 H new ATOM 0 HG2 LYS A 68 1.102 16.411 -5.629 1.00 3.30 H new ATOM 0 HG3 LYS A 68 2.013 16.705 -4.161 1.00 3.30 H new ATOM 0 HD2 LYS A 68 2.554 14.307 -3.987 1.00 72.21 H new ATOM 0 HD3 LYS A 68 1.587 13.968 -5.408 1.00 72.21 H new ATOM 0 HE2 LYS A 68 3.082 15.473 -6.740 1.00 30.11 H new ATOM 0 HE3 LYS A 68 4.076 15.704 -5.316 1.00 30.11 H new ATOM 0 HZ1 LYS A 68 4.967 13.997 -6.738 1.00 74.11 H new ATOM 0 HZ2 LYS A 68 4.490 13.328 -5.252 1.00 74.11 H new ATOM 0 HZ3 LYS A 68 3.527 13.104 -6.633 1.00 74.11 H new TER 1147 LYS A 68