USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 594 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 -177:sc= -0.79! USER MOD Set 1.2: A 37 GLN : amide:sc= -2.86! C(o=-3.6!,f=-9.5!) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.958 K(o=-0.96,f=-2.7!) USER MOD Set 2.2: A 44 ASN : amide:sc= 0 K(o=-0.96,f=-0.096) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0.00014) USER MOD Set 4.1: A 4 SER OG : rot 180:sc= 0.0139 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -127:sc= 0.0114 (180deg=-0.0131) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0569 (180deg=-0.439) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0747 (180deg=-0.441) USER MOD Single : A 30 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= 0.0703 K(o=0.07,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.0659 (180deg=0.0659) USER MOD Single : A 45 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.1) USER MOD Single : A 46 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.66) USER MOD Single : A 48 GLN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0.843 (180deg=0.613) USER MOD Single : A 59 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.034) 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 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -23.317 -3.483 -5.632 1.00 61.14 N ATOM 2 CA LYS A 1 -22.918 -4.782 -6.182 1.00 23.40 C ATOM 3 C LYS A 1 -22.603 -5.737 -5.051 1.00 12.42 C ATOM 4 O LYS A 1 -22.074 -5.316 -4.016 1.00 54.22 O ATOM 5 CB LYS A 1 -21.672 -4.651 -7.088 1.00 72.12 C ATOM 6 CG LYS A 1 -21.847 -3.763 -8.303 1.00 12.45 C ATOM 7 CD LYS A 1 -20.578 -3.725 -9.151 1.00 62.31 C ATOM 8 CE LYS A 1 -19.400 -3.089 -8.421 1.00 32.33 C ATOM 9 NZ LYS A 1 -18.183 -3.045 -9.272 1.00 63.45 N ATOM 0 H1 LYS A 1 -24.232 -3.200 -6.038 1.00 61.14 H new ATOM 0 H2 LYS A 1 -23.405 -3.556 -4.598 1.00 61.14 H new ATOM 0 H3 LYS A 1 -22.598 -2.770 -5.869 1.00 61.14 H new ATOM 0 HA LYS A 1 -23.746 -5.161 -6.781 1.00 23.40 H new ATOM 0 HB2 LYS A 1 -20.847 -4.263 -6.490 1.00 72.12 H new ATOM 0 HB3 LYS A 1 -21.381 -5.646 -7.424 1.00 72.12 H new ATOM 0 HG2 LYS A 1 -22.679 -4.128 -8.906 1.00 12.45 H new ATOM 0 HG3 LYS A 1 -22.104 -2.753 -7.984 1.00 12.45 H new ATOM 0 HD2 LYS A 1 -20.312 -4.740 -9.445 1.00 62.31 H new ATOM 0 HD3 LYS A 1 -20.775 -3.169 -10.067 1.00 62.31 H new ATOM 0 HE2 LYS A 1 -19.666 -2.077 -8.114 1.00 32.33 H new ATOM 0 HE3 LYS A 1 -19.188 -3.653 -7.512 1.00 32.33 H new ATOM 0 HZ1 LYS A 1 -17.404 -2.606 -8.741 1.00 63.45 H new ATOM 0 HZ2 LYS A 1 -17.915 -4.012 -9.544 1.00 63.45 H new ATOM 0 HZ3 LYS A 1 -18.377 -2.486 -10.127 1.00 63.45 H new ATOM 25 N PRO A 2 -22.939 -7.031 -5.199 1.00 14.24 N ATOM 26 CA PRO A 2 -22.615 -8.028 -4.204 1.00 35.44 C ATOM 27 C PRO A 2 -21.153 -8.456 -4.298 1.00 75.15 C ATOM 28 O PRO A 2 -20.794 -9.341 -5.087 1.00 31.11 O ATOM 29 CB PRO A 2 -23.550 -9.195 -4.523 1.00 30.24 C ATOM 30 CG PRO A 2 -23.821 -9.075 -5.988 1.00 4.30 C ATOM 31 CD PRO A 2 -23.688 -7.610 -6.339 1.00 61.02 C ATOM 0 HA PRO A 2 -22.744 -7.653 -3.189 1.00 35.44 H new ATOM 0 HB2 PRO A 2 -23.085 -10.151 -4.283 1.00 30.24 H new ATOM 0 HB3 PRO A 2 -24.471 -9.134 -3.944 1.00 30.24 H new ATOM 0 HG2 PRO A 2 -23.115 -9.676 -6.562 1.00 4.30 H new ATOM 0 HG3 PRO A 2 -24.819 -9.441 -6.228 1.00 4.30 H new ATOM 0 HD2 PRO A 2 -23.153 -7.472 -7.279 1.00 61.02 H new ATOM 0 HD3 PRO A 2 -24.664 -7.138 -6.456 1.00 61.02 H new ATOM 39 N VAL A 3 -20.310 -7.782 -3.547 1.00 33.42 N ATOM 40 CA VAL A 3 -18.904 -8.089 -3.528 1.00 11.02 C ATOM 41 C VAL A 3 -18.707 -9.298 -2.638 1.00 3.03 C ATOM 42 O VAL A 3 -18.871 -9.223 -1.412 1.00 62.31 O ATOM 43 CB VAL A 3 -18.056 -6.892 -3.013 1.00 64.43 C ATOM 44 CG1 VAL A 3 -16.568 -7.203 -3.097 1.00 44.22 C ATOM 45 CG2 VAL A 3 -18.381 -5.622 -3.793 1.00 31.44 C ATOM 0 H VAL A 3 -20.581 -7.011 -2.937 1.00 33.42 H new ATOM 0 HA VAL A 3 -18.566 -8.296 -4.543 1.00 11.02 H new ATOM 0 HB VAL A 3 -18.311 -6.727 -1.966 1.00 64.43 H new ATOM 0 HG11 VAL A 3 -15.997 -6.350 -2.731 1.00 44.22 H new ATOM 0 HG12 VAL A 3 -16.344 -8.078 -2.487 1.00 44.22 H new ATOM 0 HG13 VAL A 3 -16.296 -7.404 -4.133 1.00 44.22 H new ATOM 0 HG21 VAL A 3 -17.776 -4.798 -3.415 1.00 31.44 H new ATOM 0 HG22 VAL A 3 -18.163 -5.778 -4.849 1.00 31.44 H new ATOM 0 HG23 VAL A 3 -19.437 -5.381 -3.673 1.00 31.44 H new ATOM 55 N SER A 4 -18.415 -10.398 -3.245 1.00 50.20 N ATOM 56 CA SER A 4 -18.303 -11.647 -2.557 1.00 42.51 C ATOM 57 C SER A 4 -16.983 -11.777 -1.815 1.00 50.30 C ATOM 58 O SER A 4 -15.939 -11.233 -2.246 1.00 10.11 O ATOM 59 CB SER A 4 -18.482 -12.786 -3.552 1.00 62.30 C ATOM 60 OG SER A 4 -17.586 -12.641 -4.644 1.00 12.33 O ATOM 0 H SER A 4 -18.244 -10.460 -4.249 1.00 50.20 H new ATOM 0 HA SER A 4 -19.088 -11.693 -1.803 1.00 42.51 H new ATOM 0 HB2 SER A 4 -18.307 -13.741 -3.056 1.00 62.30 H new ATOM 0 HB3 SER A 4 -19.509 -12.800 -3.917 1.00 62.30 H new ATOM 0 HG SER A 4 -17.714 -13.382 -5.272 1.00 12.33 H new ATOM 66 N LEU A 5 -17.025 -12.477 -0.695 1.00 31.35 N ATOM 67 CA LEU A 5 -15.846 -12.751 0.068 1.00 55.42 C ATOM 68 C LEU A 5 -15.093 -13.886 -0.575 1.00 4.02 C ATOM 69 O LEU A 5 -15.239 -15.056 -0.220 1.00 64.31 O ATOM 70 CB LEU A 5 -16.127 -13.038 1.567 1.00 41.44 C ATOM 71 CG LEU A 5 -16.616 -11.866 2.449 1.00 62.13 C ATOM 72 CD1 LEU A 5 -17.969 -11.327 2.020 1.00 72.35 C ATOM 73 CD2 LEU A 5 -16.657 -12.287 3.899 1.00 4.33 C ATOM 0 H LEU A 5 -17.881 -12.866 -0.299 1.00 31.35 H new ATOM 0 HA LEU A 5 -15.235 -11.848 0.061 1.00 55.42 H new ATOM 0 HB2 LEU A 5 -16.873 -13.831 1.621 1.00 41.44 H new ATOM 0 HB3 LEU A 5 -15.211 -13.430 2.010 1.00 41.44 H new ATOM 0 HG LEU A 5 -15.899 -11.055 2.322 1.00 62.13 H new ATOM 0 HD11 LEU A 5 -18.259 -10.507 2.677 1.00 72.35 H new ATOM 0 HD12 LEU A 5 -17.908 -10.966 0.993 1.00 72.35 H new ATOM 0 HD13 LEU A 5 -18.713 -12.121 2.082 1.00 72.35 H new ATOM 0 HD21 LEU A 5 -17.003 -11.453 4.510 1.00 4.33 H new ATOM 0 HD22 LEU A 5 -17.339 -13.129 4.014 1.00 4.33 H new ATOM 0 HD23 LEU A 5 -15.658 -12.583 4.220 1.00 4.33 H new ATOM 85 N SER A 6 -14.410 -13.536 -1.604 1.00 42.44 N ATOM 86 CA SER A 6 -13.584 -14.423 -2.345 1.00 41.43 C ATOM 87 C SER A 6 -12.304 -13.704 -2.682 1.00 44.20 C ATOM 88 O SER A 6 -12.263 -12.890 -3.612 1.00 61.34 O ATOM 89 CB SER A 6 -14.307 -14.863 -3.616 1.00 45.15 C ATOM 90 OG SER A 6 -15.550 -15.481 -3.296 1.00 25.45 O ATOM 0 H SER A 6 -14.410 -12.584 -1.969 1.00 42.44 H new ATOM 0 HA SER A 6 -13.359 -15.314 -1.759 1.00 41.43 H new ATOM 0 HB2 SER A 6 -14.478 -14.001 -4.261 1.00 45.15 H new ATOM 0 HB3 SER A 6 -13.681 -15.559 -4.175 1.00 45.15 H new ATOM 0 HG SER A 6 -16.001 -15.755 -4.122 1.00 25.45 H new ATOM 96 N TYR A 7 -11.287 -13.939 -1.895 1.00 32.44 N ATOM 97 CA TYR A 7 -10.026 -13.274 -2.075 1.00 24.43 C ATOM 98 C TYR A 7 -8.960 -13.985 -1.289 1.00 71.52 C ATOM 99 O TYR A 7 -9.219 -15.024 -0.674 1.00 14.50 O ATOM 100 CB TYR A 7 -10.115 -11.789 -1.637 1.00 4.52 C ATOM 101 CG TYR A 7 -10.451 -11.563 -0.176 1.00 74.03 C ATOM 102 CD1 TYR A 7 -9.489 -11.742 0.804 1.00 51.21 C ATOM 103 CD2 TYR A 7 -11.719 -11.164 0.212 1.00 11.14 C ATOM 104 CE1 TYR A 7 -9.777 -11.533 2.135 1.00 52.44 C ATOM 105 CE2 TYR A 7 -12.021 -10.947 1.542 1.00 65.45 C ATOM 106 CZ TYR A 7 -11.047 -11.133 2.501 1.00 51.43 C ATOM 107 OH TYR A 7 -11.344 -10.917 3.832 1.00 43.54 O ATOM 0 H TYR A 7 -11.310 -14.595 -1.114 1.00 32.44 H new ATOM 0 HA TYR A 7 -9.769 -13.299 -3.134 1.00 24.43 H new ATOM 0 HB2 TYR A 7 -9.162 -11.306 -1.852 1.00 4.52 H new ATOM 0 HB3 TYR A 7 -10.869 -11.292 -2.247 1.00 4.52 H new ATOM 0 HD1 TYR A 7 -8.494 -12.051 0.519 1.00 51.21 H new ATOM 0 HD2 TYR A 7 -12.484 -11.020 -0.537 1.00 11.14 H new ATOM 0 HE1 TYR A 7 -9.015 -11.681 2.886 1.00 52.44 H new ATOM 0 HE2 TYR A 7 -13.014 -10.634 1.830 1.00 65.45 H new ATOM 0 HH TYR A 7 -12.280 -10.639 3.917 1.00 43.54 H new ATOM 117 N ARG A 8 -7.776 -13.423 -1.300 1.00 32.31 N ATOM 118 CA ARG A 8 -6.661 -13.979 -0.575 1.00 12.33 C ATOM 119 C ARG A 8 -5.769 -12.868 -0.057 1.00 4.02 C ATOM 120 O ARG A 8 -4.694 -13.119 0.509 1.00 24.14 O ATOM 121 CB ARG A 8 -5.889 -14.860 -1.513 1.00 52.41 C ATOM 122 CG ARG A 8 -5.326 -14.098 -2.686 1.00 44.44 C ATOM 123 CD ARG A 8 -4.842 -15.017 -3.737 1.00 11.43 C ATOM 124 NE ARG A 8 -3.757 -15.907 -3.295 1.00 71.41 N ATOM 125 CZ ARG A 8 -3.436 -17.051 -3.913 1.00 3.32 C ATOM 126 NH1 ARG A 8 -4.135 -17.446 -4.983 1.00 11.44 N ATOM 127 NH2 ARG A 8 -2.416 -17.786 -3.479 1.00 11.35 N ATOM 0 H ARG A 8 -7.559 -12.568 -1.812 1.00 32.31 H new ATOM 0 HA ARG A 8 -7.018 -14.556 0.278 1.00 12.33 H new ATOM 0 HB2 ARG A 8 -5.074 -15.339 -0.970 1.00 52.41 H new ATOM 0 HB3 ARG A 8 -6.539 -15.655 -1.878 1.00 52.41 H new ATOM 0 HG2 ARG A 8 -6.092 -13.441 -3.098 1.00 44.44 H new ATOM 0 HG3 ARG A 8 -4.507 -13.461 -2.350 1.00 44.44 H new ATOM 0 HD2 ARG A 8 -5.677 -15.624 -4.088 1.00 11.43 H new ATOM 0 HD3 ARG A 8 -4.494 -14.430 -4.587 1.00 11.43 H new ATOM 0 HE ARG A 8 -3.219 -15.638 -2.471 1.00 71.41 H new ATOM 0 HH11 ARG A 8 -4.909 -16.877 -5.325 1.00 11.44 H new ATOM 0 HH12 ARG A 8 -3.894 -18.317 -5.457 1.00 11.44 H new ATOM 0 HH21 ARG A 8 -1.874 -17.479 -2.671 1.00 11.35 H new ATOM 0 HH22 ARG A 8 -2.176 -18.656 -3.954 1.00 11.35 H new ATOM 141 N CYS A 9 -6.214 -11.656 -0.217 1.00 41.42 N ATOM 142 CA CYS A 9 -5.424 -10.519 0.155 1.00 3.11 C ATOM 143 C CYS A 9 -6.249 -9.562 0.991 1.00 31.11 C ATOM 144 O CYS A 9 -7.429 -9.353 0.703 1.00 23.11 O ATOM 145 CB CYS A 9 -4.976 -9.788 -1.119 1.00 5.43 C ATOM 146 SG CYS A 9 -4.153 -10.840 -2.360 1.00 72.15 S ATOM 0 H CYS A 9 -7.129 -11.428 -0.606 1.00 41.42 H new ATOM 0 HA CYS A 9 -4.562 -10.856 0.731 1.00 3.11 H new ATOM 0 HB2 CYS A 9 -5.848 -9.323 -1.579 1.00 5.43 H new ATOM 0 HB3 CYS A 9 -4.297 -8.983 -0.838 1.00 5.43 H new ATOM 151 N PRO A 10 -5.647 -8.980 2.056 1.00 73.45 N ATOM 152 CA PRO A 10 -6.287 -7.917 2.839 1.00 33.10 C ATOM 153 C PRO A 10 -6.614 -6.733 1.934 1.00 70.40 C ATOM 154 O PRO A 10 -7.641 -6.053 2.086 1.00 33.31 O ATOM 155 CB PRO A 10 -5.205 -7.509 3.843 1.00 30.15 C ATOM 156 CG PRO A 10 -4.298 -8.677 3.939 1.00 31.12 C ATOM 157 CD PRO A 10 -4.340 -9.365 2.609 1.00 52.42 C ATOM 0 HA PRO A 10 -7.217 -8.235 3.311 1.00 33.10 H new ATOM 0 HB2 PRO A 10 -4.669 -6.622 3.505 1.00 30.15 H new ATOM 0 HB3 PRO A 10 -5.640 -7.268 4.813 1.00 30.15 H new ATOM 0 HG2 PRO A 10 -3.283 -8.360 4.179 1.00 31.12 H new ATOM 0 HG3 PRO A 10 -4.618 -9.351 4.734 1.00 31.12 H new ATOM 0 HD2 PRO A 10 -3.522 -9.041 1.965 1.00 52.42 H new ATOM 0 HD3 PRO A 10 -4.253 -10.446 2.715 1.00 52.42 H new ATOM 165 N CYS A 11 -5.727 -6.492 0.999 1.00 63.31 N ATOM 166 CA CYS A 11 -5.928 -5.481 0.015 1.00 20.10 C ATOM 167 C CYS A 11 -6.239 -6.110 -1.313 1.00 33.14 C ATOM 168 O CYS A 11 -5.350 -6.577 -2.020 1.00 21.22 O ATOM 169 CB CYS A 11 -4.725 -4.554 -0.104 1.00 72.41 C ATOM 170 SG CYS A 11 -4.369 -3.604 1.404 1.00 23.32 S ATOM 0 H CYS A 11 -4.846 -6.998 0.907 1.00 63.31 H new ATOM 0 HA CYS A 11 -6.775 -4.873 0.333 1.00 20.10 H new ATOM 0 HB2 CYS A 11 -3.847 -5.146 -0.363 1.00 72.41 H new ATOM 0 HB3 CYS A 11 -4.895 -3.859 -0.927 1.00 72.41 H new ATOM 175 N ARG A 12 -7.501 -6.200 -1.608 1.00 14.32 N ATOM 176 CA ARG A 12 -7.940 -6.694 -2.887 1.00 50.42 C ATOM 177 C ARG A 12 -8.089 -5.527 -3.836 1.00 2.10 C ATOM 178 O ARG A 12 -7.947 -5.664 -5.050 1.00 74.12 O ATOM 179 CB ARG A 12 -9.233 -7.498 -2.734 1.00 51.44 C ATOM 180 CG ARG A 12 -9.902 -7.910 -4.041 1.00 23.33 C ATOM 181 CD ARG A 12 -11.070 -8.847 -3.782 1.00 74.24 C ATOM 182 NE ARG A 12 -11.964 -8.340 -2.727 1.00 42.20 N ATOM 183 CZ ARG A 12 -13.142 -8.868 -2.383 1.00 13.22 C ATOM 184 NH1 ARG A 12 -13.689 -9.850 -3.103 1.00 23.12 N ATOM 185 NH2 ARG A 12 -13.783 -8.385 -1.329 1.00 34.12 N ATOM 0 H ARG A 12 -8.256 -5.935 -0.975 1.00 14.32 H new ATOM 0 HA ARG A 12 -7.200 -7.377 -3.305 1.00 50.42 H new ATOM 0 HB2 ARG A 12 -9.017 -8.397 -2.157 1.00 51.44 H new ATOM 0 HB3 ARG A 12 -9.942 -6.908 -2.152 1.00 51.44 H new ATOM 0 HG2 ARG A 12 -10.252 -7.024 -4.570 1.00 23.33 H new ATOM 0 HG3 ARG A 12 -9.174 -8.400 -4.688 1.00 23.33 H new ATOM 0 HD2 ARG A 12 -11.637 -8.982 -4.703 1.00 74.24 H new ATOM 0 HD3 ARG A 12 -10.691 -9.828 -3.495 1.00 74.24 H new ATOM 0 HE ARG A 12 -11.657 -7.514 -2.214 1.00 42.20 H new ATOM 0 HH11 ARG A 12 -13.207 -10.207 -3.928 1.00 23.12 H new ATOM 0 HH12 ARG A 12 -14.589 -10.243 -2.828 1.00 23.12 H new ATOM 0 HH21 ARG A 12 -13.376 -7.619 -0.791 1.00 34.12 H new ATOM 0 HH22 ARG A 12 -14.683 -8.779 -1.055 1.00 34.12 H new ATOM 199 N PHE A 13 -8.337 -4.373 -3.269 1.00 71.32 N ATOM 200 CA PHE A 13 -8.438 -3.163 -4.034 1.00 34.54 C ATOM 201 C PHE A 13 -7.208 -2.323 -3.766 1.00 53.21 C ATOM 202 O PHE A 13 -6.770 -2.202 -2.622 1.00 54.13 O ATOM 203 CB PHE A 13 -9.707 -2.385 -3.684 1.00 2.23 C ATOM 204 CG PHE A 13 -10.984 -3.166 -3.893 1.00 54.11 C ATOM 205 CD1 PHE A 13 -11.574 -3.231 -5.146 1.00 64.41 C ATOM 206 CD2 PHE A 13 -11.590 -3.834 -2.837 1.00 34.31 C ATOM 207 CE1 PHE A 13 -12.742 -3.947 -5.343 1.00 3.41 C ATOM 208 CE2 PHE A 13 -12.756 -4.551 -3.029 1.00 24.23 C ATOM 209 CZ PHE A 13 -13.332 -4.609 -4.283 1.00 64.43 C ATOM 0 H PHE A 13 -8.474 -4.250 -2.266 1.00 71.32 H new ATOM 0 HA PHE A 13 -8.498 -3.412 -5.093 1.00 34.54 H new ATOM 0 HB2 PHE A 13 -9.652 -2.070 -2.642 1.00 2.23 H new ATOM 0 HB3 PHE A 13 -9.744 -1.479 -4.289 1.00 2.23 H new ATOM 0 HD1 PHE A 13 -11.117 -2.717 -5.978 1.00 64.41 H new ATOM 0 HD2 PHE A 13 -11.145 -3.793 -1.854 1.00 34.31 H new ATOM 0 HE1 PHE A 13 -13.192 -3.988 -6.324 1.00 3.41 H new ATOM 0 HE2 PHE A 13 -13.217 -5.066 -2.199 1.00 24.23 H new ATOM 0 HZ PHE A 13 -14.242 -5.171 -4.435 1.00 64.43 H new ATOM 219 N PHE A 14 -6.653 -1.776 -4.805 1.00 42.42 N ATOM 220 CA PHE A 14 -5.450 -0.982 -4.718 1.00 23.35 C ATOM 221 C PHE A 14 -5.634 0.375 -5.350 1.00 64.40 C ATOM 222 O PHE A 14 -6.426 0.538 -6.295 1.00 3.02 O ATOM 223 CB PHE A 14 -4.289 -1.676 -5.408 1.00 74.25 C ATOM 224 CG PHE A 14 -3.816 -2.916 -4.735 1.00 24.11 C ATOM 225 CD1 PHE A 14 -3.072 -2.821 -3.591 1.00 43.42 C ATOM 226 CD2 PHE A 14 -4.084 -4.164 -5.259 1.00 32.24 C ATOM 227 CE1 PHE A 14 -2.596 -3.932 -2.966 1.00 4.24 C ATOM 228 CE2 PHE A 14 -3.613 -5.298 -4.635 1.00 11.55 C ATOM 229 CZ PHE A 14 -2.864 -5.182 -3.481 1.00 1.35 C ATOM 0 H PHE A 14 -7.022 -1.866 -5.752 1.00 42.42 H new ATOM 0 HA PHE A 14 -5.233 -0.860 -3.657 1.00 23.35 H new ATOM 0 HB2 PHE A 14 -4.585 -1.923 -6.428 1.00 74.25 H new ATOM 0 HB3 PHE A 14 -3.456 -0.977 -5.479 1.00 74.25 H new ATOM 0 HD1 PHE A 14 -2.859 -1.847 -3.176 1.00 43.42 H new ATOM 0 HD2 PHE A 14 -4.667 -4.252 -6.164 1.00 32.24 H new ATOM 0 HE1 PHE A 14 -2.008 -3.834 -2.066 1.00 4.24 H new ATOM 0 HE2 PHE A 14 -3.829 -6.273 -5.046 1.00 11.55 H new ATOM 0 HZ PHE A 14 -2.490 -6.065 -2.985 1.00 1.35 H new ATOM 239 N GLU A 15 -4.930 1.338 -4.825 1.00 52.31 N ATOM 240 CA GLU A 15 -4.913 2.653 -5.359 1.00 35.34 C ATOM 241 C GLU A 15 -3.509 2.966 -5.861 1.00 73.54 C ATOM 242 O GLU A 15 -2.531 2.779 -5.143 1.00 22.30 O ATOM 243 CB GLU A 15 -5.354 3.672 -4.302 1.00 42.14 C ATOM 244 CG GLU A 15 -5.452 5.086 -4.839 1.00 35.12 C ATOM 245 CD GLU A 15 -6.320 5.154 -6.065 1.00 51.42 C ATOM 246 OE1 GLU A 15 -7.541 5.316 -5.938 1.00 3.32 O ATOM 247 OE2 GLU A 15 -5.786 5.027 -7.186 1.00 50.32 O ATOM 0 H GLU A 15 -4.344 1.219 -3.999 1.00 52.31 H new ATOM 0 HA GLU A 15 -5.615 2.717 -6.190 1.00 35.34 H new ATOM 0 HB2 GLU A 15 -6.323 3.374 -3.902 1.00 42.14 H new ATOM 0 HB3 GLU A 15 -4.648 3.654 -3.472 1.00 42.14 H new ATOM 0 HG2 GLU A 15 -5.858 5.741 -4.068 1.00 35.12 H new ATOM 0 HG3 GLU A 15 -4.455 5.455 -5.078 1.00 35.12 H new ATOM 254 N SER A 16 -3.416 3.414 -7.074 1.00 65.11 N ATOM 255 CA SER A 16 -2.150 3.722 -7.666 1.00 72.02 C ATOM 256 C SER A 16 -1.956 5.234 -7.802 1.00 12.44 C ATOM 257 O SER A 16 -0.901 5.699 -8.185 1.00 63.41 O ATOM 258 CB SER A 16 -2.063 3.038 -9.027 1.00 4.21 C ATOM 259 OG SER A 16 -3.169 3.406 -9.841 1.00 0.24 O ATOM 0 H SER A 16 -4.217 3.577 -7.684 1.00 65.11 H new ATOM 0 HA SER A 16 -1.353 3.353 -7.021 1.00 72.02 H new ATOM 0 HB2 SER A 16 -1.132 3.316 -9.521 1.00 4.21 H new ATOM 0 HB3 SER A 16 -2.044 1.956 -8.896 1.00 4.21 H new ATOM 0 HG SER A 16 -3.098 2.960 -10.711 1.00 0.24 H new ATOM 265 N HIS A 17 -2.974 5.997 -7.462 1.00 12.23 N ATOM 266 CA HIS A 17 -2.920 7.460 -7.618 1.00 74.20 C ATOM 267 C HIS A 17 -2.383 8.153 -6.372 1.00 22.11 C ATOM 268 O HIS A 17 -2.505 9.369 -6.224 1.00 11.04 O ATOM 269 CB HIS A 17 -4.299 8.023 -8.002 1.00 71.12 C ATOM 270 CG HIS A 17 -4.773 7.597 -9.353 1.00 30.21 C ATOM 271 ND1 HIS A 17 -5.062 8.475 -10.370 1.00 2.02 N ATOM 272 CD2 HIS A 17 -5.029 6.378 -9.841 1.00 40.10 C ATOM 273 CE1 HIS A 17 -5.472 7.802 -11.419 1.00 31.03 C ATOM 274 NE2 HIS A 17 -5.460 6.525 -11.123 1.00 24.12 N ATOM 0 H HIS A 17 -3.850 5.644 -7.077 1.00 12.23 H new ATOM 0 HA HIS A 17 -2.222 7.668 -8.429 1.00 74.20 H new ATOM 0 HB2 HIS A 17 -5.029 7.709 -7.256 1.00 71.12 H new ATOM 0 HB3 HIS A 17 -4.258 9.112 -7.969 1.00 71.12 H new ATOM 0 HD2 HIS A 17 -4.914 5.444 -9.312 1.00 40.10 H new ATOM 0 HE1 HIS A 17 -5.769 8.228 -12.366 1.00 31.03 H new ATOM 0 HE2 HIS A 17 -5.729 5.767 -11.750 1.00 24.12 H new ATOM 283 N VAL A 18 -1.759 7.387 -5.514 1.00 0.14 N ATOM 284 CA VAL A 18 -1.219 7.896 -4.280 1.00 41.42 C ATOM 285 C VAL A 18 0.133 8.587 -4.520 1.00 23.55 C ATOM 286 O VAL A 18 1.000 8.057 -5.229 1.00 35.10 O ATOM 287 CB VAL A 18 -1.037 6.752 -3.255 1.00 24.34 C ATOM 288 CG1 VAL A 18 -0.547 7.292 -1.937 1.00 35.10 C ATOM 289 CG2 VAL A 18 -2.331 5.977 -3.066 1.00 4.11 C ATOM 0 H VAL A 18 -1.611 6.387 -5.653 1.00 0.14 H new ATOM 0 HA VAL A 18 -1.924 8.626 -3.883 1.00 41.42 H new ATOM 0 HB VAL A 18 -0.286 6.066 -3.648 1.00 24.34 H new ATOM 0 HG11 VAL A 18 -0.426 6.471 -1.230 1.00 35.10 H new ATOM 0 HG12 VAL A 18 0.411 7.791 -2.082 1.00 35.10 H new ATOM 0 HG13 VAL A 18 -1.272 8.005 -1.544 1.00 35.10 H new ATOM 0 HG21 VAL A 18 -2.174 5.179 -2.340 1.00 4.11 H new ATOM 0 HG22 VAL A 18 -3.108 6.650 -2.704 1.00 4.11 H new ATOM 0 HG23 VAL A 18 -2.639 5.546 -4.018 1.00 4.11 H new ATOM 299 N ALA A 19 0.299 9.763 -3.935 1.00 25.25 N ATOM 300 CA ALA A 19 1.524 10.524 -4.043 1.00 64.14 C ATOM 301 C ALA A 19 2.287 10.446 -2.739 1.00 41.31 C ATOM 302 O ALA A 19 1.717 10.706 -1.677 1.00 54.33 O ATOM 303 CB ALA A 19 1.209 11.971 -4.347 1.00 33.13 C ATOM 0 H ALA A 19 -0.420 10.215 -3.370 1.00 25.25 H new ATOM 0 HA ALA A 19 2.128 10.108 -4.849 1.00 64.14 H new ATOM 0 HB1 ALA A 19 2.137 12.537 -4.427 1.00 33.13 H new ATOM 0 HB2 ALA A 19 0.664 12.035 -5.289 1.00 33.13 H new ATOM 0 HB3 ALA A 19 0.599 12.387 -3.545 1.00 33.13 H new ATOM 309 N ARG A 20 3.569 10.127 -2.824 1.00 54.40 N ATOM 310 CA ARG A 20 4.448 9.975 -1.655 1.00 24.23 C ATOM 311 C ARG A 20 4.461 11.229 -0.769 1.00 54.31 C ATOM 312 O ARG A 20 4.542 11.130 0.455 1.00 14.22 O ATOM 313 CB ARG A 20 5.864 9.641 -2.116 1.00 3.04 C ATOM 314 CG ARG A 20 6.891 9.511 -1.004 1.00 41.22 C ATOM 315 CD ARG A 20 8.255 9.232 -1.583 1.00 54.31 C ATOM 316 NE ARG A 20 9.309 9.240 -0.574 1.00 71.52 N ATOM 317 CZ ARG A 20 10.576 8.875 -0.806 1.00 65.54 C ATOM 318 NH1 ARG A 20 10.930 8.402 -2.003 1.00 4.33 N ATOM 319 NH2 ARG A 20 11.479 8.969 0.158 1.00 55.14 N ATOM 0 H ARG A 20 4.042 9.963 -3.713 1.00 54.40 H new ATOM 0 HA ARG A 20 4.054 9.159 -1.050 1.00 24.23 H new ATOM 0 HB2 ARG A 20 5.836 8.705 -2.675 1.00 3.04 H new ATOM 0 HB3 ARG A 20 6.196 10.415 -2.807 1.00 3.04 H new ATOM 0 HG2 ARG A 20 6.919 10.428 -0.416 1.00 41.22 H new ATOM 0 HG3 ARG A 20 6.604 8.707 -0.327 1.00 41.22 H new ATOM 0 HD2 ARG A 20 8.242 8.262 -2.081 1.00 54.31 H new ATOM 0 HD3 ARG A 20 8.481 9.978 -2.344 1.00 54.31 H new ATOM 0 HE ARG A 20 9.065 9.543 0.369 1.00 71.52 H new ATOM 0 HH11 ARG A 20 10.234 8.318 -2.744 1.00 4.33 H new ATOM 0 HH12 ARG A 20 11.896 8.125 -2.176 1.00 4.33 H new ATOM 0 HH21 ARG A 20 11.209 9.319 1.077 1.00 55.14 H new ATOM 0 HH22 ARG A 20 12.444 8.691 -0.019 1.00 55.14 H new ATOM 333 N ALA A 21 4.355 12.390 -1.391 1.00 33.22 N ATOM 334 CA ALA A 21 4.350 13.670 -0.689 1.00 33.21 C ATOM 335 C ALA A 21 3.158 13.788 0.266 1.00 65.22 C ATOM 336 O ALA A 21 3.233 14.482 1.284 1.00 41.34 O ATOM 337 CB ALA A 21 4.338 14.813 -1.689 1.00 60.00 C ATOM 0 H ALA A 21 4.269 12.476 -2.404 1.00 33.22 H new ATOM 0 HA ALA A 21 5.259 13.725 -0.090 1.00 33.21 H new ATOM 0 HB1 ALA A 21 4.334 15.763 -1.155 1.00 60.00 H new ATOM 0 HB2 ALA A 21 5.225 14.754 -2.319 1.00 60.00 H new ATOM 0 HB3 ALA A 21 3.446 14.743 -2.311 1.00 60.00 H new ATOM 343 N ASN A 22 2.075 13.100 -0.058 1.00 14.23 N ATOM 344 CA ASN A 22 0.865 13.136 0.762 1.00 42.42 C ATOM 345 C ASN A 22 0.786 11.871 1.629 1.00 34.40 C ATOM 346 O ASN A 22 -0.113 11.703 2.432 1.00 22.12 O ATOM 347 CB ASN A 22 -0.384 13.294 -0.138 1.00 45.45 C ATOM 348 CG ASN A 22 -1.717 13.429 0.619 1.00 73.33 C ATOM 349 OD1 ASN A 22 -1.780 13.913 1.759 1.00 33.32 O ATOM 350 ND2 ASN A 22 -2.788 13.028 -0.024 1.00 12.54 N ATOM 0 H ASN A 22 2.005 12.507 -0.885 1.00 14.23 H new ATOM 0 HA ASN A 22 0.901 13.997 1.429 1.00 42.42 H new ATOM 0 HB2 ASN A 22 -0.250 14.173 -0.768 1.00 45.45 H new ATOM 0 HB3 ASN A 22 -0.446 12.432 -0.802 1.00 45.45 H new ATOM 0 HD21 ASN A 22 -3.706 13.110 0.413 1.00 12.54 H new ATOM 0 HD22 ASN A 22 -2.703 12.634 -0.961 1.00 12.54 H new ATOM 357 N VAL A 23 1.747 10.994 1.458 1.00 72.33 N ATOM 358 CA VAL A 23 1.828 9.788 2.266 1.00 12.32 C ATOM 359 C VAL A 23 2.536 10.094 3.576 1.00 65.54 C ATOM 360 O VAL A 23 3.724 10.443 3.585 1.00 23.11 O ATOM 361 CB VAL A 23 2.570 8.639 1.539 1.00 73.15 C ATOM 362 CG1 VAL A 23 2.660 7.414 2.423 1.00 0.12 C ATOM 363 CG2 VAL A 23 1.861 8.283 0.266 1.00 42.32 C ATOM 0 H VAL A 23 2.489 11.089 0.765 1.00 72.33 H new ATOM 0 HA VAL A 23 0.807 9.456 2.454 1.00 12.32 H new ATOM 0 HB VAL A 23 3.578 8.984 1.308 1.00 73.15 H new ATOM 0 HG11 VAL A 23 3.185 6.620 1.892 1.00 0.12 H new ATOM 0 HG12 VAL A 23 3.204 7.662 3.334 1.00 0.12 H new ATOM 0 HG13 VAL A 23 1.656 7.076 2.680 1.00 0.12 H new ATOM 0 HG21 VAL A 23 2.394 7.474 -0.234 1.00 42.32 H new ATOM 0 HG22 VAL A 23 0.845 7.961 0.493 1.00 42.32 H new ATOM 0 HG23 VAL A 23 1.828 9.154 -0.388 1.00 42.32 H new ATOM 373 N LYS A 24 1.809 9.976 4.668 1.00 31.12 N ATOM 374 CA LYS A 24 2.335 10.250 5.985 1.00 50.45 C ATOM 375 C LYS A 24 3.356 9.210 6.347 1.00 30.23 C ATOM 376 O LYS A 24 4.468 9.519 6.787 1.00 22.23 O ATOM 377 CB LYS A 24 1.203 10.204 6.981 1.00 1.34 C ATOM 378 CG LYS A 24 1.540 10.653 8.295 1.00 63.55 C ATOM 379 CD LYS A 24 0.269 10.961 8.960 1.00 0.32 C ATOM 380 CE LYS A 24 0.487 11.457 10.285 1.00 35.33 C ATOM 381 NZ LYS A 24 1.257 12.720 10.323 1.00 33.02 N ATOM 0 H LYS A 24 0.831 9.686 4.664 1.00 31.12 H new ATOM 0 HA LYS A 24 2.804 11.234 5.996 1.00 50.45 H new ATOM 0 HB2 LYS A 24 0.382 10.813 6.604 1.00 1.34 H new ATOM 0 HB3 LYS A 24 0.836 9.180 7.046 1.00 1.34 H new ATOM 0 HG2 LYS A 24 2.089 9.885 8.840 1.00 63.55 H new ATOM 0 HG3 LYS A 24 2.181 11.534 8.253 1.00 63.55 H new ATOM 0 HD2 LYS A 24 -0.280 11.701 8.377 1.00 0.32 H new ATOM 0 HD3 LYS A 24 -0.350 10.065 9.001 1.00 0.32 H new ATOM 0 HE2 LYS A 24 -0.477 11.614 10.769 1.00 35.33 H new ATOM 0 HE3 LYS A 24 1.016 10.701 10.865 1.00 35.33 H new ATOM 0 HZ1 LYS A 24 1.110 13.189 11.240 1.00 33.02 H new ATOM 0 HZ2 LYS A 24 2.269 12.514 10.198 1.00 33.02 H new ATOM 0 HZ3 LYS A 24 0.934 13.346 9.558 1.00 33.02 H new ATOM 395 N ARG A 25 2.961 7.988 6.154 1.00 72.04 N ATOM 396 CA ARG A 25 3.784 6.833 6.413 1.00 15.13 C ATOM 397 C ARG A 25 3.214 5.696 5.592 1.00 44.21 C ATOM 398 O ARG A 25 2.007 5.690 5.330 1.00 55.32 O ATOM 399 CB ARG A 25 3.688 6.475 7.894 1.00 33.50 C ATOM 400 CG ARG A 25 4.624 5.374 8.346 1.00 44.50 C ATOM 401 CD ARG A 25 4.358 5.015 9.789 1.00 42.01 C ATOM 402 NE ARG A 25 3.039 4.391 9.962 1.00 3.55 N ATOM 403 CZ ARG A 25 2.335 4.386 11.093 1.00 22.32 C ATOM 404 NH1 ARG A 25 2.706 5.146 12.119 1.00 42.20 N ATOM 405 NH2 ARG A 25 1.229 3.657 11.183 1.00 3.35 N ATOM 0 H ARG A 25 2.032 7.754 5.802 1.00 72.04 H new ATOM 0 HA ARG A 25 4.826 7.023 6.157 1.00 15.13 H new ATOM 0 HB2 ARG A 25 3.891 7.369 8.483 1.00 33.50 H new ATOM 0 HB3 ARG A 25 2.664 6.174 8.114 1.00 33.50 H new ATOM 0 HG2 ARG A 25 4.492 4.495 7.716 1.00 44.50 H new ATOM 0 HG3 ARG A 25 5.659 5.697 8.230 1.00 44.50 H new ATOM 0 HD2 ARG A 25 5.132 4.333 10.143 1.00 42.01 H new ATOM 0 HD3 ARG A 25 4.419 5.913 10.404 1.00 42.01 H new ATOM 0 HE ARG A 25 2.630 3.925 9.152 1.00 3.55 H new ATOM 0 HH11 ARG A 25 3.534 5.737 12.043 1.00 42.20 H new ATOM 0 HH12 ARG A 25 2.163 5.138 12.982 1.00 42.20 H new ATOM 0 HH21 ARG A 25 0.918 3.101 10.386 1.00 3.35 H new ATOM 0 HH22 ARG A 25 0.690 3.653 12.049 1.00 3.35 H new ATOM 419 N LEU A 26 4.036 4.763 5.167 1.00 41.32 N ATOM 420 CA LEU A 26 3.531 3.631 4.424 1.00 33.31 C ATOM 421 C LEU A 26 4.344 2.403 4.718 1.00 71.41 C ATOM 422 O LEU A 26 5.473 2.502 5.209 1.00 23.44 O ATOM 423 CB LEU A 26 3.484 3.871 2.913 1.00 15.31 C ATOM 424 CG LEU A 26 4.791 3.888 2.120 1.00 40.33 C ATOM 425 CD1 LEU A 26 4.442 3.935 0.682 1.00 72.31 C ATOM 426 CD2 LEU A 26 5.675 5.077 2.444 1.00 32.05 C ATOM 0 H LEU A 26 5.044 4.764 5.320 1.00 41.32 H new ATOM 0 HA LEU A 26 2.503 3.485 4.755 1.00 33.31 H new ATOM 0 HB2 LEU A 26 2.846 3.101 2.478 1.00 15.31 H new ATOM 0 HB3 LEU A 26 2.987 4.827 2.748 1.00 15.31 H new ATOM 0 HG LEU A 26 5.355 2.994 2.386 1.00 40.33 H new ATOM 0 HD11 LEU A 26 5.355 3.948 0.086 1.00 72.31 H new ATOM 0 HD12 LEU A 26 3.852 3.056 0.422 1.00 72.31 H new ATOM 0 HD13 LEU A 26 3.862 4.835 0.478 1.00 72.31 H new ATOM 0 HD21 LEU A 26 6.585 5.027 1.847 1.00 32.05 H new ATOM 0 HD22 LEU A 26 5.142 6.000 2.216 1.00 32.05 H new ATOM 0 HD23 LEU A 26 5.934 5.060 3.503 1.00 32.05 H new ATOM 438 N LYS A 27 3.785 1.253 4.433 1.00 43.01 N ATOM 439 CA LYS A 27 4.456 0.006 4.679 1.00 14.52 C ATOM 440 C LYS A 27 4.102 -0.995 3.588 1.00 42.41 C ATOM 441 O LYS A 27 2.975 -1.004 3.096 1.00 44.30 O ATOM 442 CB LYS A 27 4.006 -0.560 6.029 1.00 4.14 C ATOM 443 CG LYS A 27 4.743 -1.804 6.479 1.00 73.14 C ATOM 444 CD LYS A 27 6.148 -1.462 6.923 1.00 52.13 C ATOM 445 CE LYS A 27 6.154 -0.707 8.253 1.00 21.54 C ATOM 446 NZ LYS A 27 5.523 -1.491 9.348 1.00 55.21 N ATOM 0 H LYS A 27 2.855 1.158 4.025 1.00 43.01 H new ATOM 0 HA LYS A 27 5.532 0.179 4.686 1.00 14.52 H new ATOM 0 HB2 LYS A 27 4.129 0.212 6.789 1.00 4.14 H new ATOM 0 HB3 LYS A 27 2.941 -0.787 5.974 1.00 4.14 H new ATOM 0 HG2 LYS A 27 4.202 -2.277 7.299 1.00 73.14 H new ATOM 0 HG3 LYS A 27 4.780 -2.526 5.663 1.00 73.14 H new ATOM 0 HD2 LYS A 27 6.731 -2.378 7.022 1.00 52.13 H new ATOM 0 HD3 LYS A 27 6.634 -0.856 6.158 1.00 52.13 H new ATOM 0 HE2 LYS A 27 7.181 -0.465 8.527 1.00 21.54 H new ATOM 0 HE3 LYS A 27 5.625 0.239 8.134 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 5.824 -1.108 10.267 1.00 55.21 H new ATOM 0 HZ2 LYS A 27 4.488 -1.428 9.269 1.00 55.21 H new ATOM 0 HZ3 LYS A 27 5.815 -2.486 9.275 1.00 55.21 H new ATOM 460 N ILE A 28 5.067 -1.805 3.214 1.00 1.12 N ATOM 461 CA ILE A 28 4.855 -2.903 2.295 1.00 65.32 C ATOM 462 C ILE A 28 4.812 -4.195 3.092 1.00 2.11 C ATOM 463 O ILE A 28 5.793 -4.580 3.738 1.00 34.12 O ATOM 464 CB ILE A 28 5.959 -2.994 1.190 1.00 75.40 C ATOM 465 CG1 ILE A 28 5.869 -1.801 0.231 1.00 61.52 C ATOM 466 CG2 ILE A 28 5.890 -4.311 0.425 1.00 74.22 C ATOM 467 CD1 ILE A 28 6.821 -1.882 -0.948 1.00 4.22 C ATOM 0 H ILE A 28 6.029 -1.720 3.541 1.00 1.12 H new ATOM 0 HA ILE A 28 3.912 -2.731 1.776 1.00 65.32 H new ATOM 0 HB ILE A 28 6.926 -2.961 1.693 1.00 75.40 H new ATOM 0 HG12 ILE A 28 4.848 -1.726 -0.144 1.00 61.52 H new ATOM 0 HG13 ILE A 28 6.072 -0.886 0.787 1.00 61.52 H new ATOM 0 HG21 ILE A 28 6.673 -4.333 -0.333 1.00 74.22 H new ATOM 0 HG22 ILE A 28 6.031 -5.141 1.117 1.00 74.22 H new ATOM 0 HG23 ILE A 28 4.917 -4.401 -0.057 1.00 74.22 H new ATOM 0 HD11 ILE A 28 6.696 -1.002 -1.578 1.00 4.22 H new ATOM 0 HD12 ILE A 28 7.848 -1.925 -0.584 1.00 4.22 H new ATOM 0 HD13 ILE A 28 6.605 -2.778 -1.530 1.00 4.22 H new ATOM 479 N LEU A 29 3.682 -4.827 3.091 1.00 53.34 N ATOM 480 CA LEU A 29 3.509 -6.045 3.814 1.00 70.12 C ATOM 481 C LEU A 29 3.555 -7.232 2.871 1.00 53.44 C ATOM 482 O LEU A 29 2.688 -7.385 1.995 1.00 42.54 O ATOM 483 CB LEU A 29 2.184 -6.028 4.572 1.00 22.03 C ATOM 484 CG LEU A 29 1.902 -7.235 5.466 1.00 63.34 C ATOM 485 CD1 LEU A 29 2.944 -7.349 6.569 1.00 4.14 C ATOM 486 CD2 LEU A 29 0.507 -7.146 6.052 1.00 71.53 C ATOM 0 H LEU A 29 2.852 -4.512 2.588 1.00 53.34 H new ATOM 0 HA LEU A 29 4.323 -6.138 4.532 1.00 70.12 H new ATOM 0 HB2 LEU A 29 2.154 -5.130 5.189 1.00 22.03 H new ATOM 0 HB3 LEU A 29 1.375 -5.943 3.846 1.00 22.03 H new ATOM 0 HG LEU A 29 1.961 -8.135 4.854 1.00 63.34 H new ATOM 0 HD11 LEU A 29 2.721 -8.216 7.192 1.00 4.14 H new ATOM 0 HD12 LEU A 29 3.933 -7.466 6.125 1.00 4.14 H new ATOM 0 HD13 LEU A 29 2.925 -6.448 7.182 1.00 4.14 H new ATOM 0 HD21 LEU A 29 0.323 -8.013 6.686 1.00 71.53 H new ATOM 0 HD22 LEU A 29 0.419 -6.237 6.647 1.00 71.53 H new ATOM 0 HD23 LEU A 29 -0.226 -7.124 5.245 1.00 71.53 H new ATOM 498 N ASN A 30 4.562 -8.045 3.042 1.00 24.01 N ATOM 499 CA ASN A 30 4.733 -9.275 2.283 1.00 42.03 C ATOM 500 C ASN A 30 3.986 -10.403 2.954 1.00 41.00 C ATOM 501 O ASN A 30 4.417 -10.916 3.986 1.00 43.13 O ATOM 502 CB ASN A 30 6.232 -9.642 2.152 1.00 74.51 C ATOM 503 CG ASN A 30 6.960 -8.981 0.986 1.00 32.24 C ATOM 504 OD1 ASN A 30 7.075 -9.576 -0.089 1.00 5.30 O ATOM 505 ND2 ASN A 30 7.411 -7.746 1.149 1.00 12.24 N ATOM 0 H ASN A 30 5.304 -7.877 3.721 1.00 24.01 H new ATOM 0 HA ASN A 30 4.329 -9.118 1.283 1.00 42.03 H new ATOM 0 HB2 ASN A 30 6.739 -9.370 3.078 1.00 74.51 H new ATOM 0 HB3 ASN A 30 6.318 -10.724 2.047 1.00 74.51 H new ATOM 0 HD21 ASN A 30 7.867 -7.263 0.375 1.00 12.24 H new ATOM 0 HD22 ASN A 30 7.302 -7.278 2.049 1.00 12.24 H new ATOM 512 N THR A 31 2.850 -10.761 2.412 1.00 14.52 N ATOM 513 CA THR A 31 2.077 -11.842 2.963 1.00 33.31 C ATOM 514 C THR A 31 2.249 -13.096 2.114 1.00 2.13 C ATOM 515 O THR A 31 2.198 -13.021 0.882 1.00 2.42 O ATOM 516 CB THR A 31 0.571 -11.488 3.072 1.00 52.52 C ATOM 517 OG1 THR A 31 0.057 -11.066 1.793 1.00 11.54 O ATOM 518 CG2 THR A 31 0.325 -10.393 4.095 1.00 52.03 C ATOM 0 H THR A 31 2.440 -10.319 1.589 1.00 14.52 H new ATOM 0 HA THR A 31 2.449 -12.024 3.971 1.00 33.31 H new ATOM 0 HB THR A 31 0.052 -12.389 3.398 1.00 52.52 H new ATOM 0 HG1 THR A 31 -0.882 -10.802 1.889 1.00 11.54 H new ATOM 0 HG21 THR A 31 -0.741 -10.173 4.143 1.00 52.03 H new ATOM 0 HG22 THR A 31 0.671 -10.725 5.074 1.00 52.03 H new ATOM 0 HG23 THR A 31 0.869 -9.494 3.804 1.00 52.03 H new ATOM 526 N PRO A 32 2.465 -14.265 2.743 1.00 43.40 N ATOM 527 CA PRO A 32 2.604 -15.533 2.012 1.00 43.55 C ATOM 528 C PRO A 32 1.308 -15.893 1.282 1.00 73.24 C ATOM 529 O PRO A 32 1.321 -16.449 0.194 1.00 12.24 O ATOM 530 CB PRO A 32 2.893 -16.565 3.115 1.00 42.13 C ATOM 531 CG PRO A 32 3.305 -15.771 4.309 1.00 4.11 C ATOM 532 CD PRO A 32 2.613 -14.448 4.200 1.00 40.13 C ATOM 0 HA PRO A 32 3.382 -15.488 1.250 1.00 43.55 H new ATOM 0 HB2 PRO A 32 2.010 -17.167 3.330 1.00 42.13 H new ATOM 0 HB3 PRO A 32 3.681 -17.253 2.811 1.00 42.13 H new ATOM 0 HG2 PRO A 32 3.023 -16.281 5.230 1.00 4.11 H new ATOM 0 HG3 PRO A 32 4.387 -15.642 4.334 1.00 4.11 H new ATOM 0 HD2 PRO A 32 1.647 -14.456 4.705 1.00 40.13 H new ATOM 0 HD3 PRO A 32 3.201 -13.648 4.649 1.00 40.13 H new ATOM 540 N ASN A 33 0.203 -15.541 1.894 1.00 33.40 N ATOM 541 CA ASN A 33 -1.132 -15.811 1.360 1.00 24.31 C ATOM 542 C ASN A 33 -1.455 -14.961 0.124 1.00 63.21 C ATOM 543 O ASN A 33 -2.194 -15.407 -0.770 1.00 34.42 O ATOM 544 CB ASN A 33 -2.186 -15.596 2.451 1.00 60.00 C ATOM 545 CG ASN A 33 -2.083 -14.222 3.078 1.00 23.35 C ATOM 546 OD1 ASN A 33 -1.350 -14.029 4.043 1.00 12.30 O ATOM 547 ND2 ASN A 33 -2.789 -13.266 2.545 1.00 71.42 N ATOM 0 H ASN A 33 0.194 -15.052 2.789 1.00 33.40 H new ATOM 0 HA ASN A 33 -1.149 -16.852 1.038 1.00 24.31 H new ATOM 0 HB2 ASN A 33 -3.181 -15.726 2.024 1.00 60.00 H new ATOM 0 HB3 ASN A 33 -2.068 -16.356 3.223 1.00 60.00 H new ATOM 0 HD21 ASN A 33 -2.742 -12.322 2.930 1.00 71.42 H new ATOM 0 HD22 ASN A 33 -3.388 -13.461 1.743 1.00 71.42 H new ATOM 554 N CYS A 34 -0.930 -13.751 0.065 1.00 11.23 N ATOM 555 CA CYS A 34 -1.186 -12.904 -1.081 1.00 70.41 C ATOM 556 C CYS A 34 0.079 -12.654 -1.891 1.00 34.42 C ATOM 557 O CYS A 34 0.378 -13.391 -2.839 1.00 62.45 O ATOM 558 CB CYS A 34 -1.787 -11.564 -0.670 1.00 24.41 C ATOM 559 SG CYS A 34 -2.201 -10.487 -2.074 1.00 52.05 S ATOM 0 H CYS A 34 -0.335 -13.340 0.784 1.00 11.23 H new ATOM 0 HA CYS A 34 -1.905 -13.440 -1.701 1.00 70.41 H new ATOM 0 HB2 CYS A 34 -2.688 -11.745 -0.084 1.00 24.41 H new ATOM 0 HB3 CYS A 34 -1.083 -11.044 -0.020 1.00 24.41 H new ATOM 564 N ALA A 35 0.820 -11.628 -1.471 1.00 13.40 N ATOM 565 CA ALA A 35 2.027 -11.142 -2.099 1.00 55.13 C ATOM 566 C ALA A 35 2.406 -9.844 -1.407 1.00 73.32 C ATOM 567 O ALA A 35 3.187 -9.850 -0.464 1.00 4.20 O ATOM 568 CB ALA A 35 1.855 -10.899 -3.608 1.00 55.41 C ATOM 0 H ALA A 35 0.572 -11.092 -0.639 1.00 13.40 H new ATOM 0 HA ALA A 35 2.806 -11.897 -1.998 1.00 55.13 H new ATOM 0 HB1 ALA A 35 2.793 -10.535 -4.027 1.00 55.41 H new ATOM 0 HB2 ALA A 35 1.577 -11.832 -4.097 1.00 55.41 H new ATOM 0 HB3 ALA A 35 1.073 -10.157 -3.770 1.00 55.41 H new ATOM 574 N LEU A 36 1.765 -8.738 -1.813 1.00 5.23 N ATOM 575 CA LEU A 36 2.055 -7.428 -1.243 1.00 42.32 C ATOM 576 C LEU A 36 0.807 -6.629 -0.939 1.00 41.44 C ATOM 577 O LEU A 36 -0.137 -6.592 -1.732 1.00 14.21 O ATOM 578 CB LEU A 36 2.963 -6.579 -2.158 1.00 33.13 C ATOM 579 CG LEU A 36 4.368 -7.103 -2.419 1.00 51.00 C ATOM 580 CD1 LEU A 36 5.171 -6.106 -3.215 1.00 54.12 C ATOM 581 CD2 LEU A 36 5.058 -7.375 -1.130 1.00 73.52 C ATOM 0 H LEU A 36 1.044 -8.732 -2.534 1.00 5.23 H new ATOM 0 HA LEU A 36 2.575 -7.642 -0.309 1.00 42.32 H new ATOM 0 HB2 LEU A 36 2.461 -6.463 -3.119 1.00 33.13 H new ATOM 0 HB3 LEU A 36 3.049 -5.584 -1.721 1.00 33.13 H new ATOM 0 HG LEU A 36 4.285 -8.027 -2.992 1.00 51.00 H new ATOM 0 HD11 LEU A 36 6.172 -6.501 -3.390 1.00 54.12 H new ATOM 0 HD12 LEU A 36 4.680 -5.924 -4.171 1.00 54.12 H new ATOM 0 HD13 LEU A 36 5.242 -5.170 -2.660 1.00 54.12 H new ATOM 0 HD21 LEU A 36 6.062 -7.750 -1.327 1.00 73.52 H new ATOM 0 HD22 LEU A 36 5.121 -6.454 -0.550 1.00 73.52 H new ATOM 0 HD23 LEU A 36 4.497 -8.121 -0.567 1.00 73.52 H new ATOM 593 N GLN A 37 0.810 -6.029 0.224 1.00 34.21 N ATOM 594 CA GLN A 37 -0.194 -5.077 0.641 1.00 11.42 C ATOM 595 C GLN A 37 0.533 -3.834 1.051 1.00 51.11 C ATOM 596 O GLN A 37 1.468 -3.904 1.843 1.00 51.44 O ATOM 597 CB GLN A 37 -1.043 -5.569 1.842 1.00 71.11 C ATOM 598 CG GLN A 37 -2.066 -6.673 1.562 1.00 64.22 C ATOM 599 CD GLN A 37 -1.494 -8.003 1.131 1.00 63.25 C ATOM 600 OE1 GLN A 37 -2.120 -8.723 0.398 1.00 64.22 O ATOM 601 NE2 GLN A 37 -0.344 -8.351 1.619 1.00 62.23 N ATOM 0 H GLN A 37 1.530 -6.192 0.928 1.00 34.21 H new ATOM 0 HA GLN A 37 -0.884 -4.918 -0.187 1.00 11.42 H new ATOM 0 HB2 GLN A 37 -0.362 -5.926 2.615 1.00 71.11 H new ATOM 0 HB3 GLN A 37 -1.574 -4.712 2.256 1.00 71.11 H new ATOM 0 HG2 GLN A 37 -2.660 -6.829 2.462 1.00 64.22 H new ATOM 0 HG3 GLN A 37 -2.747 -6.323 0.787 1.00 64.22 H new ATOM 0 HE21 GLN A 37 0.161 -7.716 2.238 1.00 62.23 H new ATOM 0 HE22 GLN A 37 0.056 -9.259 1.384 1.00 62.23 H new ATOM 610 N ILE A 38 0.147 -2.727 0.517 1.00 11.20 N ATOM 611 CA ILE A 38 0.780 -1.482 0.854 1.00 53.02 C ATOM 612 C ILE A 38 -0.293 -0.563 1.397 1.00 44.42 C ATOM 613 O ILE A 38 -1.434 -0.653 0.974 1.00 10.01 O ATOM 614 CB ILE A 38 1.417 -0.835 -0.389 1.00 5.23 C ATOM 615 CG1 ILE A 38 2.243 -1.861 -1.162 1.00 71.50 C ATOM 616 CG2 ILE A 38 2.321 0.322 0.036 1.00 63.43 C ATOM 617 CD1 ILE A 38 2.855 -1.308 -2.421 1.00 73.33 C ATOM 0 H ILE A 38 -0.610 -2.650 -0.162 1.00 11.20 H new ATOM 0 HA ILE A 38 1.569 -1.655 1.586 1.00 53.02 H new ATOM 0 HB ILE A 38 0.620 -0.463 -1.032 1.00 5.23 H new ATOM 0 HG12 ILE A 38 3.036 -2.239 -0.517 1.00 71.50 H new ATOM 0 HG13 ILE A 38 1.608 -2.710 -1.417 1.00 71.50 H new ATOM 0 HG21 ILE A 38 2.770 0.777 -0.847 1.00 63.43 H new ATOM 0 HG22 ILE A 38 1.731 1.068 0.568 1.00 63.43 H new ATOM 0 HG23 ILE A 38 3.108 -0.053 0.691 1.00 63.43 H new ATOM 0 HD11 ILE A 38 3.428 -2.089 -2.921 1.00 73.33 H new ATOM 0 HD12 ILE A 38 2.066 -0.956 -3.085 1.00 73.33 H new ATOM 0 HD13 ILE A 38 3.515 -0.478 -2.170 1.00 73.33 H new ATOM 629 N VAL A 39 0.048 0.300 2.315 1.00 13.13 N ATOM 630 CA VAL A 39 -0.937 1.195 2.911 1.00 32.24 C ATOM 631 C VAL A 39 -0.463 2.635 2.851 1.00 21.21 C ATOM 632 O VAL A 39 0.690 2.910 3.112 1.00 21.23 O ATOM 633 CB VAL A 39 -1.303 0.792 4.380 1.00 64.25 C ATOM 634 CG1 VAL A 39 -2.026 -0.550 4.407 1.00 1.03 C ATOM 635 CG2 VAL A 39 -0.055 0.725 5.264 1.00 72.22 C ATOM 0 H VAL A 39 0.996 0.411 2.674 1.00 13.13 H new ATOM 0 HA VAL A 39 -1.848 1.101 2.320 1.00 32.24 H new ATOM 0 HB VAL A 39 -1.966 1.561 4.775 1.00 64.25 H new ATOM 0 HG11 VAL A 39 -2.271 -0.811 5.437 1.00 1.03 H new ATOM 0 HG12 VAL A 39 -2.943 -0.481 3.822 1.00 1.03 H new ATOM 0 HG13 VAL A 39 -1.381 -1.319 3.981 1.00 1.03 H new ATOM 0 HG21 VAL A 39 -0.341 0.443 6.277 1.00 72.22 H new ATOM 0 HG22 VAL A 39 0.636 -0.016 4.863 1.00 72.22 H new ATOM 0 HG23 VAL A 39 0.431 1.701 5.283 1.00 72.22 H new ATOM 645 N ALA A 40 -1.348 3.534 2.466 1.00 44.51 N ATOM 646 CA ALA A 40 -1.018 4.949 2.368 1.00 41.22 C ATOM 647 C ALA A 40 -1.936 5.768 3.192 1.00 34.34 C ATOM 648 O ALA A 40 -3.096 5.935 2.825 1.00 33.41 O ATOM 649 CB ALA A 40 -1.147 5.444 0.941 1.00 1.24 C ATOM 0 H ALA A 40 -2.310 3.310 2.213 1.00 44.51 H new ATOM 0 HA ALA A 40 0.009 5.050 2.718 1.00 41.22 H new ATOM 0 HB1 ALA A 40 -0.894 6.504 0.899 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -0.468 4.883 0.299 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -2.172 5.302 0.598 1.00 1.24 H new ATOM 655 N ARG A 41 -1.463 6.278 4.280 1.00 41.21 N ATOM 656 CA ARG A 41 -2.264 7.170 5.044 1.00 40.40 C ATOM 657 C ARG A 41 -1.915 8.568 4.687 1.00 61.41 C ATOM 658 O ARG A 41 -0.768 9.000 4.827 1.00 62.44 O ATOM 659 CB ARG A 41 -2.193 6.909 6.540 1.00 11.34 C ATOM 660 CG ARG A 41 -3.017 7.875 7.363 1.00 30.33 C ATOM 661 CD ARG A 41 -3.372 7.296 8.724 1.00 23.20 C ATOM 662 NE ARG A 41 -2.209 6.889 9.521 1.00 25.33 N ATOM 663 CZ ARG A 41 -2.277 6.009 10.533 1.00 74.10 C ATOM 664 NH1 ARG A 41 -3.443 5.447 10.853 1.00 64.02 N ATOM 665 NH2 ARG A 41 -1.183 5.694 11.212 1.00 11.31 N ATOM 0 H ARG A 41 -0.533 6.094 4.657 1.00 41.21 H new ATOM 0 HA ARG A 41 -3.309 6.994 4.789 1.00 40.40 H new ATOM 0 HB2 ARG A 41 -2.533 5.893 6.740 1.00 11.34 H new ATOM 0 HB3 ARG A 41 -1.153 6.966 6.861 1.00 11.34 H new ATOM 0 HG2 ARG A 41 -2.463 8.804 7.496 1.00 30.33 H new ATOM 0 HG3 ARG A 41 -3.931 8.124 6.824 1.00 30.33 H new ATOM 0 HD2 ARG A 41 -3.943 8.036 9.285 1.00 23.20 H new ATOM 0 HD3 ARG A 41 -4.022 6.433 8.582 1.00 23.20 H new ATOM 0 HE ARG A 41 -1.302 7.296 9.294 1.00 25.33 H new ATOM 0 HH11 ARG A 41 -4.285 5.685 10.329 1.00 64.02 H new ATOM 0 HH12 ARG A 41 -3.493 4.779 11.622 1.00 64.02 H new ATOM 0 HH21 ARG A 41 -0.290 6.120 10.966 1.00 11.31 H new ATOM 0 HH22 ARG A 41 -1.235 5.026 11.981 1.00 11.31 H new ATOM 679 N LEU A 42 -2.896 9.248 4.188 1.00 55.54 N ATOM 680 CA LEU A 42 -2.746 10.588 3.686 1.00 35.23 C ATOM 681 C LEU A 42 -2.489 11.558 4.807 1.00 62.52 C ATOM 682 O LEU A 42 -3.085 11.453 5.863 1.00 23.04 O ATOM 683 CB LEU A 42 -4.002 11.024 2.914 1.00 73.12 C ATOM 684 CG LEU A 42 -4.444 10.144 1.725 1.00 2.54 C ATOM 685 CD1 LEU A 42 -5.409 10.872 0.794 1.00 33.21 C ATOM 686 CD2 LEU A 42 -3.280 9.517 0.966 1.00 70.50 C ATOM 0 H LEU A 42 -3.847 8.886 4.114 1.00 55.54 H new ATOM 0 HA LEU A 42 -1.890 10.591 3.011 1.00 35.23 H new ATOM 0 HB2 LEU A 42 -4.830 11.077 3.620 1.00 73.12 H new ATOM 0 HB3 LEU A 42 -3.835 12.035 2.542 1.00 73.12 H new ATOM 0 HG LEU A 42 -4.991 9.311 2.168 1.00 2.54 H new ATOM 0 HD11 LEU A 42 -5.691 10.212 -0.026 1.00 33.21 H new ATOM 0 HD12 LEU A 42 -6.301 11.162 1.349 1.00 33.21 H new ATOM 0 HD13 LEU A 42 -4.925 11.763 0.393 1.00 33.21 H new ATOM 0 HD21 LEU A 42 -3.665 8.913 0.145 1.00 70.50 H new ATOM 0 HD22 LEU A 42 -2.639 10.304 0.568 1.00 70.50 H new ATOM 0 HD23 LEU A 42 -2.703 8.886 1.642 1.00 70.50 H new ATOM 698 N LYS A 43 -1.604 12.476 4.581 1.00 63.53 N ATOM 699 CA LYS A 43 -1.320 13.513 5.550 1.00 52.33 C ATOM 700 C LYS A 43 -2.516 14.450 5.654 1.00 44.44 C ATOM 701 O LYS A 43 -2.908 14.861 6.738 1.00 74.50 O ATOM 702 CB LYS A 43 -0.081 14.298 5.137 1.00 60.12 C ATOM 703 CG LYS A 43 1.128 13.459 4.975 1.00 51.15 C ATOM 704 CD LYS A 43 2.284 14.292 4.521 1.00 23.23 C ATOM 705 CE LYS A 43 3.521 13.485 4.573 1.00 54.10 C ATOM 706 NZ LYS A 43 4.696 14.226 4.106 1.00 54.00 N ATOM 0 H LYS A 43 -1.053 12.537 3.725 1.00 63.53 H new ATOM 0 HA LYS A 43 -1.133 13.053 6.520 1.00 52.33 H new ATOM 0 HB2 LYS A 43 -0.284 14.813 4.198 1.00 60.12 H new ATOM 0 HB3 LYS A 43 0.118 15.066 5.885 1.00 60.12 H new ATOM 0 HG2 LYS A 43 1.371 12.973 5.920 1.00 51.15 H new ATOM 0 HG3 LYS A 43 0.935 12.668 4.250 1.00 51.15 H new ATOM 0 HD2 LYS A 43 2.112 14.649 3.506 1.00 23.23 H new ATOM 0 HD3 LYS A 43 2.384 15.172 5.156 1.00 23.23 H new ATOM 0 HE2 LYS A 43 3.690 13.151 5.597 1.00 54.10 H new ATOM 0 HE3 LYS A 43 3.393 12.591 3.963 1.00 54.10 H new ATOM 0 HZ1 LYS A 43 5.536 13.616 4.163 1.00 54.00 H new ATOM 0 HZ2 LYS A 43 4.550 14.523 3.120 1.00 54.00 H new ATOM 0 HZ3 LYS A 43 4.837 15.066 4.703 1.00 54.00 H new ATOM 720 N ASN A 44 -3.102 14.752 4.511 1.00 4.25 N ATOM 721 CA ASN A 44 -4.234 15.665 4.441 1.00 41.13 C ATOM 722 C ASN A 44 -5.564 14.978 4.745 1.00 75.35 C ATOM 723 O ASN A 44 -6.418 15.549 5.424 1.00 11.23 O ATOM 724 CB ASN A 44 -4.296 16.363 3.073 1.00 3.55 C ATOM 725 CG ASN A 44 -3.131 17.305 2.821 1.00 51.32 C ATOM 726 OD1 ASN A 44 -2.081 16.898 2.323 1.00 34.25 O ATOM 727 ND2 ASN A 44 -3.312 18.563 3.129 1.00 12.24 N ATOM 0 H ASN A 44 -2.811 14.376 3.609 1.00 4.25 H new ATOM 0 HA ASN A 44 -4.073 16.415 5.215 1.00 41.13 H new ATOM 0 HB2 ASN A 44 -4.318 15.607 2.288 1.00 3.55 H new ATOM 0 HB3 ASN A 44 -5.228 16.923 3.002 1.00 3.55 H new ATOM 0 HD21 ASN A 44 -2.570 19.242 2.958 1.00 12.24 H new ATOM 0 HD22 ASN A 44 -4.195 18.865 3.540 1.00 12.24 H new ATOM 734 N ASN A 45 -5.746 13.759 4.250 1.00 62.25 N ATOM 735 CA ASN A 45 -7.023 13.049 4.455 1.00 21.52 C ATOM 736 C ASN A 45 -7.017 12.264 5.757 1.00 61.41 C ATOM 737 O ASN A 45 -8.071 12.016 6.360 1.00 63.12 O ATOM 738 CB ASN A 45 -7.344 12.130 3.267 1.00 53.21 C ATOM 739 CG ASN A 45 -8.739 11.509 3.313 1.00 64.10 C ATOM 740 OD1 ASN A 45 -9.680 12.082 3.853 1.00 73.35 O ATOM 741 ND2 ASN A 45 -8.879 10.348 2.730 1.00 14.45 N ATOM 0 H ASN A 45 -5.048 13.243 3.714 1.00 62.25 H new ATOM 0 HA ASN A 45 -7.808 13.802 4.522 1.00 21.52 H new ATOM 0 HB2 ASN A 45 -7.243 12.700 2.344 1.00 53.21 H new ATOM 0 HB3 ASN A 45 -6.604 11.331 3.230 1.00 53.21 H new ATOM 0 HD21 ASN A 45 -9.791 9.892 2.715 1.00 14.45 H new ATOM 0 HD22 ASN A 45 -8.076 9.898 2.290 1.00 14.45 H new ATOM 748 N ASN A 46 -5.809 11.877 6.192 1.00 0.25 N ATOM 749 CA ASN A 46 -5.573 11.078 7.421 1.00 1.33 C ATOM 750 C ASN A 46 -6.171 9.665 7.268 1.00 24.52 C ATOM 751 O ASN A 46 -6.270 8.895 8.216 1.00 73.42 O ATOM 752 CB ASN A 46 -6.117 11.811 8.678 1.00 33.11 C ATOM 753 CG ASN A 46 -5.781 11.115 10.000 1.00 51.22 C ATOM 754 OD1 ASN A 46 -4.730 10.467 10.138 1.00 74.51 O ATOM 755 ND2 ASN A 46 -6.653 11.243 10.968 1.00 60.11 N ATOM 0 H ASN A 46 -4.948 12.110 5.697 1.00 0.25 H new ATOM 0 HA ASN A 46 -4.498 10.966 7.562 1.00 1.33 H new ATOM 0 HB2 ASN A 46 -5.713 12.823 8.699 1.00 33.11 H new ATOM 0 HB3 ASN A 46 -7.200 11.902 8.592 1.00 33.11 H new ATOM 0 HD21 ASN A 46 -6.480 10.803 11.872 1.00 60.11 H new ATOM 0 HD22 ASN A 46 -7.505 11.783 10.818 1.00 60.11 H new ATOM 762 N ARG A 47 -6.547 9.326 6.057 1.00 1.30 N ATOM 763 CA ARG A 47 -7.103 8.011 5.789 1.00 15.44 C ATOM 764 C ARG A 47 -6.130 7.197 5.008 1.00 72.31 C ATOM 765 O ARG A 47 -5.320 7.756 4.252 1.00 30.24 O ATOM 766 CB ARG A 47 -8.447 8.073 5.091 1.00 50.22 C ATOM 767 CG ARG A 47 -9.521 8.767 5.895 1.00 70.44 C ATOM 768 CD ARG A 47 -10.837 8.761 5.165 1.00 61.40 C ATOM 769 NE ARG A 47 -11.876 9.496 5.897 1.00 13.11 N ATOM 770 CZ ARG A 47 -12.961 10.045 5.338 1.00 24.44 C ATOM 771 NH1 ARG A 47 -13.191 9.902 4.045 1.00 75.43 N ATOM 772 NH2 ARG A 47 -13.818 10.724 6.084 1.00 1.55 N ATOM 0 H ARG A 47 -6.480 9.936 5.242 1.00 1.30 H new ATOM 0 HA ARG A 47 -7.282 7.531 6.751 1.00 15.44 H new ATOM 0 HB2 ARG A 47 -8.328 8.590 4.139 1.00 50.22 H new ATOM 0 HB3 ARG A 47 -8.775 7.059 4.864 1.00 50.22 H new ATOM 0 HG2 ARG A 47 -9.635 8.271 6.859 1.00 70.44 H new ATOM 0 HG3 ARG A 47 -9.220 9.795 6.099 1.00 70.44 H new ATOM 0 HD2 ARG A 47 -10.706 9.205 4.178 1.00 61.40 H new ATOM 0 HD3 ARG A 47 -11.161 7.732 5.011 1.00 61.40 H new ATOM 0 HE ARG A 47 -11.763 9.596 6.906 1.00 13.11 H new ATOM 0 HH11 ARG A 47 -12.540 9.371 3.467 1.00 75.43 H new ATOM 0 HH12 ARG A 47 -14.020 10.323 3.625 1.00 75.43 H new ATOM 0 HH21 ARG A 47 -13.651 10.829 7.085 1.00 1.55 H new ATOM 0 HH22 ARG A 47 -14.645 11.142 5.658 1.00 1.55 H new ATOM 786 N GLN A 48 -6.178 5.907 5.177 1.00 31.12 N ATOM 787 CA GLN A 48 -5.252 5.052 4.500 1.00 41.44 C ATOM 788 C GLN A 48 -5.948 4.301 3.384 1.00 11.25 C ATOM 789 O GLN A 48 -7.134 3.961 3.487 1.00 73.52 O ATOM 790 CB GLN A 48 -4.591 4.064 5.476 1.00 12.34 C ATOM 791 CG GLN A 48 -5.416 2.832 5.786 1.00 54.14 C ATOM 792 CD GLN A 48 -4.889 2.056 6.973 1.00 1.15 C ATOM 793 OE1 GLN A 48 -5.280 2.301 8.117 1.00 45.24 O ATOM 794 NE2 GLN A 48 -4.013 1.124 6.722 1.00 52.14 N ATOM 0 H GLN A 48 -6.848 5.427 5.777 1.00 31.12 H new ATOM 0 HA GLN A 48 -4.469 5.677 4.071 1.00 41.44 H new ATOM 0 HB2 GLN A 48 -3.634 3.749 5.060 1.00 12.34 H new ATOM 0 HB3 GLN A 48 -4.376 4.585 6.409 1.00 12.34 H new ATOM 0 HG2 GLN A 48 -6.446 3.130 5.981 1.00 54.14 H new ATOM 0 HG3 GLN A 48 -5.432 2.182 4.911 1.00 54.14 H new ATOM 0 HE21 GLN A 48 -3.714 0.950 5.762 1.00 52.14 H new ATOM 0 HE22 GLN A 48 -3.627 0.568 7.485 1.00 52.14 H new ATOM 803 N VAL A 49 -5.238 4.090 2.323 1.00 14.44 N ATOM 804 CA VAL A 49 -5.703 3.281 1.227 1.00 14.03 C ATOM 805 C VAL A 49 -4.610 2.331 0.809 1.00 2.03 C ATOM 806 O VAL A 49 -3.429 2.669 0.887 1.00 24.34 O ATOM 807 CB VAL A 49 -6.177 4.122 -0.007 1.00 73.02 C ATOM 808 CG1 VAL A 49 -7.435 4.911 0.320 1.00 14.21 C ATOM 809 CG2 VAL A 49 -5.077 5.066 -0.491 1.00 53.05 C ATOM 0 H VAL A 49 -4.305 4.477 2.185 1.00 14.44 H new ATOM 0 HA VAL A 49 -6.576 2.733 1.582 1.00 14.03 H new ATOM 0 HB VAL A 49 -6.405 3.420 -0.809 1.00 73.02 H new ATOM 0 HG11 VAL A 49 -7.742 5.485 -0.554 1.00 14.21 H new ATOM 0 HG12 VAL A 49 -8.233 4.224 0.601 1.00 14.21 H new ATOM 0 HG13 VAL A 49 -7.233 5.590 1.148 1.00 14.21 H new ATOM 0 HG21 VAL A 49 -5.437 5.635 -1.348 1.00 53.05 H new ATOM 0 HG22 VAL A 49 -4.806 5.751 0.312 1.00 53.05 H new ATOM 0 HG23 VAL A 49 -4.202 4.486 -0.783 1.00 53.05 H new ATOM 819 N CYS A 50 -4.993 1.144 0.455 1.00 44.41 N ATOM 820 CA CYS A 50 -4.064 0.149 -0.087 1.00 51.01 C ATOM 821 C CYS A 50 -3.412 0.663 -1.366 1.00 63.44 C ATOM 822 O CYS A 50 -4.104 1.020 -2.307 1.00 51.53 O ATOM 823 CB CYS A 50 -4.804 -1.159 -0.359 1.00 54.00 C ATOM 824 SG CYS A 50 -5.492 -1.933 1.153 1.00 22.02 S ATOM 0 H CYS A 50 -5.957 0.818 0.526 1.00 44.41 H new ATOM 0 HA CYS A 50 -3.279 -0.032 0.648 1.00 51.01 H new ATOM 0 HB2 CYS A 50 -5.615 -0.970 -1.063 1.00 54.00 H new ATOM 0 HB3 CYS A 50 -4.122 -1.861 -0.840 1.00 54.00 H new ATOM 829 N ILE A 51 -2.092 0.708 -1.398 1.00 21.30 N ATOM 830 CA ILE A 51 -1.396 1.219 -2.568 1.00 11.41 C ATOM 831 C ILE A 51 -1.059 0.074 -3.498 1.00 52.11 C ATOM 832 O ILE A 51 -0.703 -1.017 -3.048 1.00 53.21 O ATOM 833 CB ILE A 51 -0.058 1.927 -2.231 1.00 5.24 C ATOM 834 CG1 ILE A 51 -0.195 2.885 -1.069 1.00 14.32 C ATOM 835 CG2 ILE A 51 0.424 2.697 -3.453 1.00 35.04 C ATOM 836 CD1 ILE A 51 1.119 3.569 -0.713 1.00 73.10 C ATOM 0 H ILE A 51 -1.485 0.401 -0.638 1.00 21.30 H new ATOM 0 HA ILE A 51 -2.072 1.944 -3.021 1.00 11.41 H new ATOM 0 HB ILE A 51 0.660 1.157 -1.948 1.00 5.24 H new ATOM 0 HG12 ILE A 51 -0.940 3.643 -1.314 1.00 14.32 H new ATOM 0 HG13 ILE A 51 -0.565 2.343 -0.199 1.00 14.32 H new ATOM 0 HG21 ILE A 51 1.365 3.196 -3.221 1.00 35.04 H new ATOM 0 HG22 ILE A 51 0.575 2.006 -4.282 1.00 35.04 H new ATOM 0 HG23 ILE A 51 -0.322 3.441 -3.732 1.00 35.04 H new ATOM 0 HD11 ILE A 51 0.961 4.245 0.127 1.00 73.10 H new ATOM 0 HD12 ILE A 51 1.859 2.816 -0.440 1.00 73.10 H new ATOM 0 HD13 ILE A 51 1.479 4.136 -1.572 1.00 73.10 H new ATOM 848 N ASP A 52 -1.176 0.330 -4.773 1.00 35.31 N ATOM 849 CA ASP A 52 -0.833 -0.623 -5.809 1.00 21.20 C ATOM 850 C ASP A 52 0.696 -0.762 -5.901 1.00 54.34 C ATOM 851 O ASP A 52 1.407 0.240 -6.049 1.00 23.52 O ATOM 852 CB ASP A 52 -1.397 -0.133 -7.140 1.00 40.33 C ATOM 853 CG ASP A 52 -1.050 -1.014 -8.300 1.00 74.32 C ATOM 854 OD1 ASP A 52 -1.781 -1.995 -8.561 1.00 2.11 O ATOM 855 OD2 ASP A 52 -0.064 -0.733 -8.982 1.00 34.10 O ATOM 0 H ASP A 52 -1.518 1.221 -5.134 1.00 35.31 H new ATOM 0 HA ASP A 52 -1.259 -1.598 -5.571 1.00 21.20 H new ATOM 0 HB2 ASP A 52 -2.482 -0.061 -7.061 1.00 40.33 H new ATOM 0 HB3 ASP A 52 -1.025 0.873 -7.334 1.00 40.33 H new ATOM 860 N PRO A 53 1.220 -1.997 -5.819 1.00 70.01 N ATOM 861 CA PRO A 53 2.666 -2.245 -5.804 1.00 2.34 C ATOM 862 C PRO A 53 3.381 -2.046 -7.152 1.00 24.04 C ATOM 863 O PRO A 53 4.588 -2.290 -7.250 1.00 1.31 O ATOM 864 CB PRO A 53 2.777 -3.700 -5.341 1.00 34.05 C ATOM 865 CG PRO A 53 1.493 -4.334 -5.747 1.00 70.14 C ATOM 866 CD PRO A 53 0.444 -3.248 -5.709 1.00 43.24 C ATOM 0 HA PRO A 53 3.163 -1.522 -5.157 1.00 2.34 H new ATOM 0 HB2 PRO A 53 3.627 -4.198 -5.806 1.00 34.05 H new ATOM 0 HB3 PRO A 53 2.923 -3.761 -4.263 1.00 34.05 H new ATOM 0 HG2 PRO A 53 1.571 -4.762 -6.746 1.00 70.14 H new ATOM 0 HG3 PRO A 53 1.232 -5.148 -5.071 1.00 70.14 H new ATOM 0 HD2 PRO A 53 -0.266 -3.350 -6.529 1.00 43.24 H new ATOM 0 HD3 PRO A 53 -0.131 -3.281 -4.784 1.00 43.24 H new ATOM 874 N LYS A 54 2.662 -1.610 -8.183 1.00 13.23 N ATOM 875 CA LYS A 54 3.293 -1.379 -9.475 1.00 70.21 C ATOM 876 C LYS A 54 3.853 0.035 -9.548 1.00 43.21 C ATOM 877 O LYS A 54 4.519 0.398 -10.525 1.00 21.14 O ATOM 878 CB LYS A 54 2.331 -1.607 -10.638 1.00 43.30 C ATOM 879 CG LYS A 54 1.732 -2.998 -10.717 1.00 40.41 C ATOM 880 CD LYS A 54 0.819 -3.119 -11.929 1.00 15.44 C ATOM 881 CE LYS A 54 0.168 -4.487 -12.013 1.00 51.05 C ATOM 882 NZ LYS A 54 -0.689 -4.618 -13.210 1.00 24.33 N ATOM 0 H LYS A 54 1.662 -1.413 -8.150 1.00 13.23 H new ATOM 0 HA LYS A 54 4.104 -2.102 -9.565 1.00 70.21 H new ATOM 0 HB2 LYS A 54 1.520 -0.883 -10.565 1.00 43.30 H new ATOM 0 HB3 LYS A 54 2.858 -1.402 -11.570 1.00 43.30 H new ATOM 0 HG2 LYS A 54 2.528 -3.740 -10.779 1.00 40.41 H new ATOM 0 HG3 LYS A 54 1.169 -3.210 -9.808 1.00 40.41 H new ATOM 0 HD2 LYS A 54 0.046 -2.352 -11.879 1.00 15.44 H new ATOM 0 HD3 LYS A 54 1.394 -2.934 -12.836 1.00 15.44 H new ATOM 0 HE2 LYS A 54 0.940 -5.256 -12.034 1.00 51.05 H new ATOM 0 HE3 LYS A 54 -0.430 -4.660 -11.118 1.00 51.05 H new ATOM 0 HZ1 LYS A 54 -1.115 -5.567 -13.230 1.00 24.33 H new ATOM 0 HZ2 LYS A 54 -1.442 -3.901 -13.178 1.00 24.33 H new ATOM 0 HZ3 LYS A 54 -0.114 -4.479 -14.065 1.00 24.33 H new ATOM 896 N LEU A 55 3.564 0.846 -8.535 1.00 61.14 N ATOM 897 CA LEU A 55 4.096 2.198 -8.488 1.00 11.41 C ATOM 898 C LEU A 55 5.598 2.188 -8.342 1.00 5.11 C ATOM 899 O LEU A 55 6.150 1.588 -7.407 1.00 72.51 O ATOM 900 CB LEU A 55 3.460 3.038 -7.388 1.00 51.03 C ATOM 901 CG LEU A 55 1.976 3.324 -7.535 1.00 34.43 C ATOM 902 CD1 LEU A 55 1.503 4.215 -6.406 1.00 14.41 C ATOM 903 CD2 LEU A 55 1.699 3.972 -8.871 1.00 4.51 C ATOM 0 H LEU A 55 2.971 0.592 -7.745 1.00 61.14 H new ATOM 0 HA LEU A 55 3.840 2.664 -9.439 1.00 11.41 H new ATOM 0 HB2 LEU A 55 3.619 2.532 -6.436 1.00 51.03 H new ATOM 0 HB3 LEU A 55 3.989 3.990 -7.335 1.00 51.03 H new ATOM 0 HG LEU A 55 1.429 2.382 -7.487 1.00 34.43 H new ATOM 0 HD11 LEU A 55 0.437 4.414 -6.521 1.00 14.41 H new ATOM 0 HD12 LEU A 55 1.678 3.718 -5.452 1.00 14.41 H new ATOM 0 HD13 LEU A 55 2.052 5.156 -6.431 1.00 14.41 H new ATOM 0 HD21 LEU A 55 0.632 4.172 -8.964 1.00 4.51 H new ATOM 0 HD22 LEU A 55 2.251 4.909 -8.942 1.00 4.51 H new ATOM 0 HD23 LEU A 55 2.014 3.303 -9.672 1.00 4.51 H new ATOM 915 N LYS A 56 6.247 2.869 -9.254 1.00 41.53 N ATOM 916 CA LYS A 56 7.679 2.911 -9.324 1.00 23.43 C ATOM 917 C LYS A 56 8.243 3.614 -8.102 1.00 35.01 C ATOM 918 O LYS A 56 9.235 3.172 -7.543 1.00 45.53 O ATOM 919 CB LYS A 56 8.111 3.576 -10.665 1.00 31.11 C ATOM 920 CG LYS A 56 9.614 3.519 -11.029 1.00 44.12 C ATOM 921 CD LYS A 56 10.516 4.465 -10.223 1.00 13.21 C ATOM 922 CE LYS A 56 10.168 5.925 -10.475 1.00 43.51 C ATOM 923 NZ LYS A 56 11.123 6.841 -9.821 1.00 60.43 N ATOM 0 H LYS A 56 5.783 3.417 -9.978 1.00 41.53 H new ATOM 0 HA LYS A 56 8.089 1.901 -9.316 1.00 23.43 H new ATOM 0 HB2 LYS A 56 7.550 3.105 -11.472 1.00 31.11 H new ATOM 0 HB3 LYS A 56 7.810 4.623 -10.636 1.00 31.11 H new ATOM 0 HG2 LYS A 56 9.967 2.498 -10.888 1.00 44.12 H new ATOM 0 HG3 LYS A 56 9.724 3.751 -12.088 1.00 44.12 H new ATOM 0 HD2 LYS A 56 10.416 4.245 -9.160 1.00 13.21 H new ATOM 0 HD3 LYS A 56 11.558 4.288 -10.489 1.00 13.21 H new ATOM 0 HE2 LYS A 56 10.159 6.116 -11.548 1.00 43.51 H new ATOM 0 HE3 LYS A 56 9.162 6.127 -10.107 1.00 43.51 H new ATOM 0 HZ1 LYS A 56 10.955 7.812 -10.152 1.00 60.43 H new ATOM 0 HZ2 LYS A 56 10.994 6.799 -8.790 1.00 60.43 H new ATOM 0 HZ3 LYS A 56 12.095 6.558 -10.060 1.00 60.43 H new ATOM 937 N TRP A 57 7.579 4.682 -7.646 1.00 51.54 N ATOM 938 CA TRP A 57 8.094 5.406 -6.497 1.00 4.03 C ATOM 939 C TRP A 57 8.041 4.532 -5.231 1.00 43.54 C ATOM 940 O TRP A 57 8.905 4.638 -4.371 1.00 23.24 O ATOM 941 CB TRP A 57 7.411 6.796 -6.270 1.00 42.35 C ATOM 942 CG TRP A 57 5.970 6.782 -5.797 1.00 62.30 C ATOM 943 CD1 TRP A 57 4.841 6.973 -6.541 1.00 43.24 C ATOM 944 CD2 TRP A 57 5.524 6.590 -4.452 1.00 32.15 C ATOM 945 NE1 TRP A 57 3.727 6.906 -5.732 1.00 51.43 N ATOM 946 CE2 TRP A 57 4.122 6.660 -4.449 1.00 34.50 C ATOM 947 CE3 TRP A 57 6.185 6.351 -3.250 1.00 70.41 C ATOM 948 CZ2 TRP A 57 3.373 6.504 -3.284 1.00 43.31 C ATOM 949 CZ3 TRP A 57 5.447 6.195 -2.113 1.00 35.14 C ATOM 950 CH2 TRP A 57 4.053 6.271 -2.138 1.00 54.44 C ATOM 0 H TRP A 57 6.714 5.049 -8.044 1.00 51.54 H new ATOM 0 HA TRP A 57 9.137 5.631 -6.720 1.00 4.03 H new ATOM 0 HB2 TRP A 57 8.002 7.350 -5.541 1.00 42.35 H new ATOM 0 HB3 TRP A 57 7.456 7.353 -7.206 1.00 42.35 H new ATOM 0 HD1 TRP A 57 4.823 7.150 -7.606 1.00 43.24 H new ATOM 0 HE1 TRP A 57 2.762 7.022 -6.042 1.00 51.43 H new ATOM 0 HE3 TRP A 57 7.263 6.290 -3.218 1.00 70.41 H new ATOM 0 HZ2 TRP A 57 2.295 6.567 -3.296 1.00 43.31 H new ATOM 0 HZ3 TRP A 57 5.951 6.009 -1.176 1.00 35.14 H new ATOM 0 HH2 TRP A 57 3.503 6.140 -1.218 1.00 54.44 H new ATOM 961 N ILE A 58 7.035 3.645 -5.162 1.00 71.14 N ATOM 962 CA ILE A 58 6.840 2.738 -4.017 1.00 24.21 C ATOM 963 C ILE A 58 8.006 1.786 -3.860 1.00 11.24 C ATOM 964 O ILE A 58 8.623 1.706 -2.796 1.00 25.44 O ATOM 965 CB ILE A 58 5.533 1.886 -4.223 1.00 73.00 C ATOM 966 CG1 ILE A 58 4.282 2.698 -3.930 1.00 42.31 C ATOM 967 CG2 ILE A 58 5.545 0.593 -3.411 1.00 53.13 C ATOM 968 CD1 ILE A 58 4.141 3.038 -2.493 1.00 72.42 C ATOM 0 H ILE A 58 6.335 3.536 -5.896 1.00 71.14 H new ATOM 0 HA ILE A 58 6.760 3.355 -3.122 1.00 24.21 H new ATOM 0 HB ILE A 58 5.514 1.604 -5.276 1.00 73.00 H new ATOM 0 HG12 ILE A 58 4.305 3.617 -4.516 1.00 42.31 H new ATOM 0 HG13 ILE A 58 3.406 2.136 -4.253 1.00 42.31 H new ATOM 0 HG21 ILE A 58 4.621 0.043 -3.589 1.00 53.13 H new ATOM 0 HG22 ILE A 58 6.395 -0.018 -3.713 1.00 53.13 H new ATOM 0 HG23 ILE A 58 5.627 0.830 -2.350 1.00 53.13 H new ATOM 0 HD11 ILE A 58 3.230 3.618 -2.344 1.00 72.42 H new ATOM 0 HD12 ILE A 58 4.088 2.121 -1.906 1.00 72.42 H new ATOM 0 HD13 ILE A 58 5.001 3.625 -2.172 1.00 72.42 H new ATOM 980 N GLN A 59 8.330 1.112 -4.922 1.00 75.24 N ATOM 981 CA GLN A 59 9.365 0.117 -4.896 1.00 31.24 C ATOM 982 C GLN A 59 10.735 0.755 -4.798 1.00 64.51 C ATOM 983 O GLN A 59 11.630 0.221 -4.185 1.00 74.21 O ATOM 984 CB GLN A 59 9.224 -0.821 -6.082 1.00 55.13 C ATOM 985 CG GLN A 59 9.212 -0.142 -7.440 1.00 71.33 C ATOM 986 CD GLN A 59 8.926 -1.114 -8.556 1.00 3.23 C ATOM 987 OE1 GLN A 59 9.387 -0.942 -9.685 1.00 32.43 O ATOM 988 NE2 GLN A 59 8.144 -2.129 -8.262 1.00 63.33 N ATOM 0 H GLN A 59 7.886 1.235 -5.832 1.00 75.24 H new ATOM 0 HA GLN A 59 9.254 -0.490 -3.998 1.00 31.24 H new ATOM 0 HB2 GLN A 59 10.045 -1.538 -6.058 1.00 55.13 H new ATOM 0 HB3 GLN A 59 8.301 -1.389 -5.969 1.00 55.13 H new ATOM 0 HG2 GLN A 59 8.459 0.646 -7.444 1.00 71.33 H new ATOM 0 HG3 GLN A 59 10.176 0.337 -7.614 1.00 71.33 H new ATOM 0 HE21 GLN A 59 7.782 -2.236 -7.314 1.00 63.33 H new ATOM 0 HE22 GLN A 59 7.899 -2.809 -8.982 1.00 63.33 H new ATOM 997 N GLU A 60 10.856 1.927 -5.352 1.00 55.24 N ATOM 998 CA GLU A 60 12.099 2.685 -5.328 1.00 11.32 C ATOM 999 C GLU A 60 12.374 3.255 -3.930 1.00 61.51 C ATOM 1000 O GLU A 60 13.496 3.645 -3.598 1.00 62.40 O ATOM 1001 CB GLU A 60 12.016 3.788 -6.375 1.00 32.51 C ATOM 1002 CG GLU A 60 13.165 4.760 -6.428 1.00 5.43 C ATOM 1003 CD GLU A 60 12.897 5.842 -7.425 1.00 32.43 C ATOM 1004 OE1 GLU A 60 11.963 6.655 -7.201 1.00 2.53 O ATOM 1005 OE2 GLU A 60 13.565 5.890 -8.464 1.00 64.10 O ATOM 0 H GLU A 60 10.095 2.398 -5.841 1.00 55.24 H new ATOM 0 HA GLU A 60 12.934 2.026 -5.565 1.00 11.32 H new ATOM 0 HB2 GLU A 60 11.921 3.320 -7.355 1.00 32.51 H new ATOM 0 HB3 GLU A 60 11.100 4.353 -6.202 1.00 32.51 H new ATOM 0 HG2 GLU A 60 13.323 5.198 -5.442 1.00 5.43 H new ATOM 0 HG3 GLU A 60 14.082 4.233 -6.693 1.00 5.43 H new ATOM 1012 N TYR A 61 11.381 3.251 -3.123 1.00 63.42 N ATOM 1013 CA TYR A 61 11.480 3.794 -1.819 1.00 14.00 C ATOM 1014 C TYR A 61 11.533 2.656 -0.839 1.00 70.40 C ATOM 1015 O TYR A 61 12.550 2.388 -0.223 1.00 24.10 O ATOM 1016 CB TYR A 61 10.269 4.726 -1.576 1.00 1.25 C ATOM 1017 CG TYR A 61 10.154 5.365 -0.207 1.00 60.12 C ATOM 1018 CD1 TYR A 61 11.251 5.522 0.628 1.00 22.30 C ATOM 1019 CD2 TYR A 61 8.923 5.833 0.233 1.00 12.42 C ATOM 1020 CE1 TYR A 61 11.120 6.123 1.868 1.00 23.51 C ATOM 1021 CE2 TYR A 61 8.781 6.430 1.464 1.00 23.24 C ATOM 1022 CZ TYR A 61 9.880 6.575 2.283 1.00 52.12 C ATOM 1023 OH TYR A 61 9.745 7.180 3.522 1.00 74.33 O ATOM 0 H TYR A 61 10.464 2.866 -3.350 1.00 63.42 H new ATOM 0 HA TYR A 61 12.384 4.390 -1.695 1.00 14.00 H new ATOM 0 HB2 TYR A 61 10.300 5.522 -2.320 1.00 1.25 H new ATOM 0 HB3 TYR A 61 9.360 4.154 -1.760 1.00 1.25 H new ATOM 0 HD1 TYR A 61 12.220 5.171 0.306 1.00 22.30 H new ATOM 0 HD2 TYR A 61 8.058 5.726 -0.405 1.00 12.42 H new ATOM 0 HE1 TYR A 61 11.982 6.239 2.509 1.00 23.51 H new ATOM 0 HE2 TYR A 61 7.813 6.783 1.787 1.00 23.24 H new ATOM 0 HH TYR A 61 8.810 7.440 3.659 1.00 74.33 H new ATOM 1033 N LEU A 62 10.476 1.947 -0.761 1.00 13.00 N ATOM 1034 CA LEU A 62 10.362 0.863 0.175 1.00 24.45 C ATOM 1035 C LEU A 62 11.257 -0.311 -0.150 1.00 4.14 C ATOM 1036 O LEU A 62 11.768 -0.959 0.754 1.00 53.15 O ATOM 1037 CB LEU A 62 8.919 0.399 0.322 1.00 63.43 C ATOM 1038 CG LEU A 62 7.942 1.305 1.090 1.00 54.44 C ATOM 1039 CD1 LEU A 62 8.435 1.598 2.501 1.00 61.40 C ATOM 1040 CD2 LEU A 62 7.660 2.580 0.333 1.00 73.25 C ATOM 0 H LEU A 62 9.650 2.090 -1.342 1.00 13.00 H new ATOM 0 HA LEU A 62 10.704 1.267 1.128 1.00 24.45 H new ATOM 0 HB2 LEU A 62 8.515 0.245 -0.678 1.00 63.43 H new ATOM 0 HB3 LEU A 62 8.930 -0.573 0.815 1.00 63.43 H new ATOM 0 HG LEU A 62 7.002 0.760 1.181 1.00 54.44 H new ATOM 0 HD11 LEU A 62 7.718 2.241 3.011 1.00 61.40 H new ATOM 0 HD12 LEU A 62 8.540 0.663 3.051 1.00 61.40 H new ATOM 0 HD13 LEU A 62 9.401 2.100 2.452 1.00 61.40 H new ATOM 0 HD21 LEU A 62 6.966 3.197 0.904 1.00 73.25 H new ATOM 0 HD22 LEU A 62 8.591 3.127 0.181 1.00 73.25 H new ATOM 0 HD23 LEU A 62 7.219 2.339 -0.634 1.00 73.25 H new ATOM 1052 N GLU A 63 11.499 -0.558 -1.411 1.00 23.41 N ATOM 1053 CA GLU A 63 12.245 -1.748 -1.772 1.00 15.34 C ATOM 1054 C GLU A 63 13.660 -1.436 -2.193 1.00 41.14 C ATOM 1055 O GLU A 63 14.551 -2.263 -2.075 1.00 60.50 O ATOM 1056 CB GLU A 63 11.512 -2.612 -2.809 1.00 44.02 C ATOM 1057 CG GLU A 63 10.255 -3.298 -2.270 1.00 61.01 C ATOM 1058 CD GLU A 63 10.561 -4.275 -1.156 1.00 21.14 C ATOM 1059 OE1 GLU A 63 10.897 -5.437 -1.457 1.00 35.01 O ATOM 1060 OE2 GLU A 63 10.466 -3.903 0.020 1.00 62.22 O ATOM 0 H GLU A 63 11.202 0.028 -2.191 1.00 23.41 H new ATOM 0 HA GLU A 63 12.314 -2.347 -0.864 1.00 15.34 H new ATOM 0 HB2 GLU A 63 11.237 -1.987 -3.658 1.00 44.02 H new ATOM 0 HB3 GLU A 63 12.197 -3.373 -3.182 1.00 44.02 H new ATOM 0 HG2 GLU A 63 9.560 -2.542 -1.905 1.00 61.01 H new ATOM 0 HG3 GLU A 63 9.755 -3.824 -3.083 1.00 61.01 H new ATOM 1067 N LYS A 64 13.885 -0.253 -2.672 1.00 44.01 N ATOM 1068 CA LYS A 64 15.196 0.076 -3.124 1.00 12.10 C ATOM 1069 C LYS A 64 15.930 0.768 -1.988 1.00 72.34 C ATOM 1070 O LYS A 64 17.126 0.650 -1.865 1.00 35.12 O ATOM 1071 CB LYS A 64 15.123 0.934 -4.424 1.00 25.01 C ATOM 1072 CG LYS A 64 16.418 1.029 -5.271 1.00 35.40 C ATOM 1073 CD LYS A 64 17.543 1.792 -4.598 1.00 33.04 C ATOM 1074 CE LYS A 64 18.813 1.747 -5.431 1.00 12.30 C ATOM 1075 NZ LYS A 64 19.931 2.467 -4.786 1.00 4.24 N ATOM 0 H LYS A 64 13.190 0.489 -2.759 1.00 44.01 H new ATOM 0 HA LYS A 64 15.755 -0.820 -3.391 1.00 12.10 H new ATOM 0 HB2 LYS A 64 14.333 0.528 -5.055 1.00 25.01 H new ATOM 0 HB3 LYS A 64 14.822 1.945 -4.148 1.00 25.01 H new ATOM 0 HG2 LYS A 64 16.764 0.021 -5.501 1.00 35.40 H new ATOM 0 HG3 LYS A 64 16.184 1.510 -6.221 1.00 35.40 H new ATOM 0 HD2 LYS A 64 17.242 2.828 -4.445 1.00 33.04 H new ATOM 0 HD3 LYS A 64 17.736 1.367 -3.613 1.00 33.04 H new ATOM 0 HE2 LYS A 64 19.100 0.709 -5.597 1.00 12.30 H new ATOM 0 HE3 LYS A 64 18.619 2.184 -6.410 1.00 12.30 H new ATOM 0 HZ1 LYS A 64 20.776 2.409 -5.390 1.00 4.24 H new ATOM 0 HZ2 LYS A 64 19.669 3.464 -4.651 1.00 4.24 H new ATOM 0 HZ3 LYS A 64 20.136 2.034 -3.863 1.00 4.24 H new ATOM 1089 N ALA A 65 15.199 1.436 -1.125 1.00 25.35 N ATOM 1090 CA ALA A 65 15.837 2.147 -0.031 1.00 75.31 C ATOM 1091 C ALA A 65 15.670 1.423 1.306 1.00 53.34 C ATOM 1092 O ALA A 65 16.627 1.280 2.060 1.00 54.40 O ATOM 1093 CB ALA A 65 15.320 3.573 0.063 1.00 4.33 C ATOM 0 H ALA A 65 14.182 1.505 -1.153 1.00 25.35 H new ATOM 0 HA ALA A 65 16.904 2.176 -0.250 1.00 75.31 H new ATOM 0 HB1 ALA A 65 15.813 4.085 0.890 1.00 4.33 H new ATOM 0 HB2 ALA A 65 15.532 4.099 -0.868 1.00 4.33 H new ATOM 0 HB3 ALA A 65 14.244 3.559 0.235 1.00 4.33 H new ATOM 1099 N LEU A 66 14.463 0.956 1.596 1.00 31.44 N ATOM 1100 CA LEU A 66 14.194 0.298 2.900 1.00 72.32 C ATOM 1101 C LEU A 66 14.450 -1.176 2.870 1.00 15.21 C ATOM 1102 O LEU A 66 14.413 -1.843 3.901 1.00 42.31 O ATOM 1103 CB LEU A 66 12.767 0.547 3.423 1.00 0.13 C ATOM 1104 CG LEU A 66 12.437 1.953 3.987 1.00 32.41 C ATOM 1105 CD1 LEU A 66 13.359 2.312 5.144 1.00 54.15 C ATOM 1106 CD2 LEU A 66 12.486 3.022 2.919 1.00 13.03 C ATOM 0 H LEU A 66 13.659 1.011 0.971 1.00 31.44 H new ATOM 0 HA LEU A 66 14.900 0.765 3.586 1.00 72.32 H new ATOM 0 HB2 LEU A 66 12.072 0.341 2.609 1.00 0.13 H new ATOM 0 HB3 LEU A 66 12.566 -0.184 4.207 1.00 0.13 H new ATOM 0 HG LEU A 66 11.414 1.910 4.360 1.00 32.41 H new ATOM 0 HD11 LEU A 66 13.104 3.303 5.519 1.00 54.15 H new ATOM 0 HD12 LEU A 66 13.241 1.580 5.943 1.00 54.15 H new ATOM 0 HD13 LEU A 66 14.393 2.310 4.799 1.00 54.15 H new ATOM 0 HD21 LEU A 66 12.248 3.989 3.361 1.00 13.03 H new ATOM 0 HD22 LEU A 66 13.485 3.057 2.485 1.00 13.03 H new ATOM 0 HD23 LEU A 66 11.760 2.791 2.139 1.00 13.03 H new ATOM 1118 N ASN A 67 14.685 -1.693 1.722 1.00 24.41 N ATOM 1119 CA ASN A 67 14.912 -3.101 1.605 1.00 34.13 C ATOM 1120 C ASN A 67 16.372 -3.348 1.307 1.00 43.54 C ATOM 1121 O ASN A 67 17.005 -4.224 1.898 1.00 51.23 O ATOM 1122 CB ASN A 67 14.023 -3.675 0.515 1.00 72.43 C ATOM 1123 CG ASN A 67 14.033 -5.167 0.459 1.00 42.34 C ATOM 1124 OD1 ASN A 67 14.852 -5.788 -0.239 1.00 72.32 O ATOM 1125 ND2 ASN A 67 13.098 -5.750 1.151 1.00 1.50 N ATOM 0 H ASN A 67 14.727 -1.172 0.846 1.00 24.41 H new ATOM 0 HA ASN A 67 14.661 -3.599 2.542 1.00 34.13 H new ATOM 0 HB2 ASN A 67 13.000 -3.333 0.674 1.00 72.43 H new ATOM 0 HB3 ASN A 67 14.345 -3.281 -0.449 1.00 72.43 H new ATOM 0 HD21 ASN A 67 13.012 -6.766 1.137 1.00 1.50 H new ATOM 0 HD22 ASN A 67 12.452 -5.191 1.708 1.00 1.50 H new ATOM 1132 N LYS A 68 16.909 -2.549 0.420 1.00 51.04 N ATOM 1133 CA LYS A 68 18.282 -2.662 0.014 1.00 55.11 C ATOM 1134 C LYS A 68 19.133 -1.650 0.755 1.00 3.21 C ATOM 1135 O LYS A 68 19.279 -0.522 0.278 1.00 38.48 O ATOM 1136 CB LYS A 68 18.386 -2.465 -1.490 1.00 51.20 C ATOM 1137 CG LYS A 68 17.584 -3.481 -2.266 1.00 41.11 C ATOM 1138 CD LYS A 68 17.684 -3.272 -3.753 1.00 54.14 C ATOM 1139 CE LYS A 68 16.802 -4.265 -4.469 1.00 23.44 C ATOM 1140 NZ LYS A 68 16.902 -4.150 -5.931 1.00 72.32 N ATOM 1141 OXT LYS A 68 19.651 -1.982 1.845 1.00 38.48 O ATOM 0 H LYS A 68 16.399 -1.797 -0.043 1.00 51.04 H new ATOM 0 HA LYS A 68 18.652 -3.657 0.261 1.00 55.11 H new ATOM 0 HB2 LYS A 68 18.041 -1.463 -1.746 1.00 51.20 H new ATOM 0 HB3 LYS A 68 19.432 -2.528 -1.789 1.00 51.20 H new ATOM 0 HG2 LYS A 68 17.934 -4.483 -2.018 1.00 41.11 H new ATOM 0 HG3 LYS A 68 16.539 -3.424 -1.963 1.00 41.11 H new ATOM 0 HD2 LYS A 68 17.384 -2.255 -4.008 1.00 54.14 H new ATOM 0 HD3 LYS A 68 18.718 -3.390 -4.077 1.00 54.14 H new ATOM 0 HE2 LYS A 68 17.077 -5.275 -4.167 1.00 23.44 H new ATOM 0 HE3 LYS A 68 15.766 -4.112 -4.165 1.00 23.44 H new ATOM 0 HZ1 LYS A 68 16.278 -4.852 -6.378 1.00 72.32 H new ATOM 0 HZ2 LYS A 68 16.614 -3.195 -6.225 1.00 72.32 H new ATOM 0 HZ3 LYS A 68 17.884 -4.322 -6.226 1.00 72.32 H new TER 1155 LYS A 68