USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -130:sc= 0.448 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.28! C(o=-0.84!,f=-4.9!) USER MOD Single : A 1 LYS N :NH3+ -173:sc= 0 (180deg=-0.0819) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.19 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-0.79) USER MOD Single : A 22 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -1.12 X(o=-1.1,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -0.0379 (180deg=-0.211) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.595 K(o=-0.59,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.3) USER MOD Single : A 46 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.046) USER MOD Single : A 48 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.73) 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= -0.221 X(o=-0.22,f=-0.14) 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 K(o=0,f=-0.58) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 22.054 -18.738 11.696 1.00 20.31 N ATOM 2 CA LYS A 1 21.996 -18.822 10.242 1.00 74.35 C ATOM 3 C LYS A 1 22.744 -17.648 9.627 1.00 62.00 C ATOM 4 O LYS A 1 22.312 -16.501 9.763 1.00 55.32 O ATOM 5 CB LYS A 1 20.536 -18.787 9.756 1.00 15.11 C ATOM 6 CG LYS A 1 19.654 -19.910 10.288 1.00 2.14 C ATOM 7 CD LYS A 1 18.222 -19.818 9.755 1.00 15.13 C ATOM 8 CE LYS A 1 17.540 -18.520 10.164 1.00 40.21 C ATOM 9 NZ LYS A 1 16.139 -18.444 9.694 1.00 43.35 N ATOM 0 H1 LYS A 1 21.646 -19.600 12.110 1.00 20.31 H new ATOM 0 H2 LYS A 1 23.044 -18.643 11.999 1.00 20.31 H new ATOM 0 H3 LYS A 1 21.513 -17.910 12.018 1.00 20.31 H new ATOM 0 HA LYS A 1 22.456 -19.761 9.936 1.00 74.35 H new ATOM 0 HB2 LYS A 1 20.096 -17.832 10.043 1.00 15.11 H new ATOM 0 HB3 LYS A 1 20.530 -18.826 8.667 1.00 15.11 H new ATOM 0 HG2 LYS A 1 20.084 -20.872 10.008 1.00 2.14 H new ATOM 0 HG3 LYS A 1 19.638 -19.873 11.377 1.00 2.14 H new ATOM 0 HD2 LYS A 1 18.235 -19.893 8.668 1.00 15.13 H new ATOM 0 HD3 LYS A 1 17.643 -20.664 10.126 1.00 15.13 H new ATOM 0 HE2 LYS A 1 17.561 -18.429 11.250 1.00 40.21 H new ATOM 0 HE3 LYS A 1 18.101 -17.676 9.762 1.00 40.21 H new ATOM 0 HZ1 LYS A 1 15.719 -17.542 9.998 1.00 43.35 H new ATOM 0 HZ2 LYS A 1 16.117 -18.504 8.656 1.00 43.35 H new ATOM 0 HZ3 LYS A 1 15.594 -19.233 10.097 1.00 43.35 H new ATOM 23 N PRO A 2 23.891 -17.892 8.980 1.00 41.31 N ATOM 24 CA PRO A 2 24.617 -16.862 8.282 1.00 24.05 C ATOM 25 C PRO A 2 24.130 -16.756 6.836 1.00 24.03 C ATOM 26 O PRO A 2 24.568 -17.510 5.957 1.00 41.50 O ATOM 27 CB PRO A 2 26.079 -17.336 8.330 1.00 12.32 C ATOM 28 CG PRO A 2 26.035 -18.784 8.770 1.00 51.34 C ATOM 29 CD PRO A 2 24.581 -19.180 8.888 1.00 33.42 C ATOM 0 HA PRO A 2 24.484 -15.876 8.726 1.00 24.05 H new ATOM 0 HB2 PRO A 2 26.553 -17.240 7.353 1.00 12.32 H new ATOM 0 HB3 PRO A 2 26.661 -16.734 9.027 1.00 12.32 H new ATOM 0 HG2 PRO A 2 26.548 -19.420 8.048 1.00 51.34 H new ATOM 0 HG3 PRO A 2 26.545 -18.910 9.725 1.00 51.34 H new ATOM 0 HD2 PRO A 2 24.248 -19.754 8.023 1.00 33.42 H new ATOM 0 HD3 PRO A 2 24.402 -19.797 9.769 1.00 33.42 H new ATOM 37 N VAL A 3 23.186 -15.880 6.603 1.00 72.14 N ATOM 38 CA VAL A 3 22.593 -15.754 5.284 1.00 44.41 C ATOM 39 C VAL A 3 22.922 -14.417 4.650 1.00 62.23 C ATOM 40 O VAL A 3 22.417 -14.106 3.566 1.00 25.14 O ATOM 41 CB VAL A 3 21.042 -15.953 5.318 1.00 52.52 C ATOM 42 CG1 VAL A 3 20.691 -17.330 5.847 1.00 72.22 C ATOM 43 CG2 VAL A 3 20.352 -14.875 6.154 1.00 34.13 C ATOM 0 H VAL A 3 22.808 -15.242 7.304 1.00 72.14 H new ATOM 0 HA VAL A 3 23.028 -16.547 4.676 1.00 44.41 H new ATOM 0 HB VAL A 3 20.680 -15.864 4.294 1.00 52.52 H new ATOM 0 HG11 VAL A 3 19.608 -17.448 5.863 1.00 72.22 H new ATOM 0 HG12 VAL A 3 21.130 -18.091 5.201 1.00 72.22 H new ATOM 0 HG13 VAL A 3 21.083 -17.442 6.858 1.00 72.22 H new ATOM 0 HG21 VAL A 3 19.276 -15.047 6.153 1.00 34.13 H new ATOM 0 HG22 VAL A 3 20.725 -14.914 7.177 1.00 34.13 H new ATOM 0 HG23 VAL A 3 20.562 -13.894 5.728 1.00 34.13 H new ATOM 53 N SER A 4 23.798 -13.644 5.321 1.00 20.21 N ATOM 54 CA SER A 4 24.163 -12.299 4.886 1.00 44.21 C ATOM 55 C SER A 4 22.909 -11.416 5.018 1.00 22.43 C ATOM 56 O SER A 4 21.967 -11.776 5.751 1.00 4.14 O ATOM 57 CB SER A 4 24.716 -12.337 3.423 1.00 11.44 C ATOM 58 OG SER A 4 25.192 -11.064 2.979 1.00 25.40 O ATOM 0 H SER A 4 24.267 -13.942 6.177 1.00 20.21 H new ATOM 0 HA SER A 4 24.959 -11.883 5.503 1.00 44.21 H new ATOM 0 HB2 SER A 4 25.526 -13.064 3.364 1.00 11.44 H new ATOM 0 HB3 SER A 4 23.930 -12.681 2.751 1.00 11.44 H new ATOM 0 HG SER A 4 25.528 -11.142 2.062 1.00 25.40 H new ATOM 64 N LEU A 5 22.883 -10.282 4.381 1.00 32.41 N ATOM 65 CA LEU A 5 21.710 -9.451 4.447 1.00 71.00 C ATOM 66 C LEU A 5 20.744 -9.938 3.367 1.00 20.41 C ATOM 67 O LEU A 5 20.821 -9.514 2.205 1.00 53.43 O ATOM 68 CB LEU A 5 22.080 -7.946 4.272 1.00 65.04 C ATOM 69 CG LEU A 5 21.011 -6.855 4.621 1.00 10.51 C ATOM 70 CD1 LEU A 5 21.615 -5.477 4.475 1.00 3.40 C ATOM 71 CD2 LEU A 5 19.756 -6.944 3.759 1.00 1.53 C ATOM 0 H LEU A 5 23.648 -9.912 3.816 1.00 32.41 H new ATOM 0 HA LEU A 5 21.235 -9.529 5.425 1.00 71.00 H new ATOM 0 HB2 LEU A 5 22.961 -7.751 4.883 1.00 65.04 H new ATOM 0 HB3 LEU A 5 22.374 -7.798 3.233 1.00 65.04 H new ATOM 0 HG LEU A 5 20.709 -7.038 5.652 1.00 10.51 H new ATOM 0 HD11 LEU A 5 20.866 -4.724 4.719 1.00 3.40 H new ATOM 0 HD12 LEU A 5 22.463 -5.378 5.152 1.00 3.40 H new ATOM 0 HD13 LEU A 5 21.952 -5.334 3.448 1.00 3.40 H new ATOM 0 HD21 LEU A 5 19.057 -6.161 4.052 1.00 1.53 H new ATOM 0 HD22 LEU A 5 20.025 -6.817 2.710 1.00 1.53 H new ATOM 0 HD23 LEU A 5 19.288 -7.919 3.898 1.00 1.53 H new ATOM 83 N SER A 6 19.903 -10.892 3.723 1.00 30.54 N ATOM 84 CA SER A 6 18.918 -11.398 2.799 1.00 20.53 C ATOM 85 C SER A 6 17.847 -10.339 2.563 1.00 54.25 C ATOM 86 O SER A 6 17.602 -9.486 3.437 1.00 61.41 O ATOM 87 CB SER A 6 18.321 -12.728 3.297 1.00 14.50 C ATOM 88 OG SER A 6 17.756 -12.611 4.600 1.00 23.44 O ATOM 0 H SER A 6 19.886 -11.328 4.645 1.00 30.54 H new ATOM 0 HA SER A 6 19.398 -11.613 1.844 1.00 20.53 H new ATOM 0 HB2 SER A 6 17.554 -13.064 2.599 1.00 14.50 H new ATOM 0 HB3 SER A 6 19.099 -13.492 3.307 1.00 14.50 H new ATOM 0 HG SER A 6 17.388 -13.476 4.876 1.00 23.44 H new ATOM 94 N TYR A 7 17.220 -10.367 1.421 1.00 10.11 N ATOM 95 CA TYR A 7 16.280 -9.338 1.091 1.00 53.03 C ATOM 96 C TYR A 7 14.921 -9.518 1.712 1.00 62.42 C ATOM 97 O TYR A 7 13.991 -10.071 1.103 1.00 53.23 O ATOM 98 CB TYR A 7 16.215 -9.034 -0.405 1.00 52.33 C ATOM 99 CG TYR A 7 17.510 -8.479 -0.928 1.00 20.13 C ATOM 100 CD1 TYR A 7 17.937 -7.222 -0.533 1.00 53.23 C ATOM 101 CD2 TYR A 7 18.323 -9.210 -1.784 1.00 33.13 C ATOM 102 CE1 TYR A 7 19.124 -6.704 -0.975 1.00 41.51 C ATOM 103 CE2 TYR A 7 19.524 -8.693 -2.231 1.00 61.43 C ATOM 104 CZ TYR A 7 19.917 -7.438 -1.820 1.00 3.50 C ATOM 105 OH TYR A 7 21.119 -6.909 -2.250 1.00 12.41 O ATOM 0 H TYR A 7 17.342 -11.086 0.708 1.00 10.11 H new ATOM 0 HA TYR A 7 16.685 -8.442 1.562 1.00 53.03 H new ATOM 0 HB2 TYR A 7 15.966 -9.945 -0.949 1.00 52.33 H new ATOM 0 HB3 TYR A 7 15.413 -8.321 -0.595 1.00 52.33 H new ATOM 0 HD1 TYR A 7 17.321 -6.640 0.137 1.00 53.23 H new ATOM 0 HD2 TYR A 7 18.013 -10.194 -2.104 1.00 33.13 H new ATOM 0 HE1 TYR A 7 19.436 -5.719 -0.659 1.00 41.51 H new ATOM 0 HE2 TYR A 7 20.150 -9.268 -2.897 1.00 61.43 H new ATOM 0 HH TYR A 7 21.565 -7.550 -2.842 1.00 12.41 H new ATOM 115 N ARG A 8 14.837 -9.120 2.955 1.00 22.03 N ATOM 116 CA ARG A 8 13.594 -9.040 3.631 1.00 44.24 C ATOM 117 C ARG A 8 13.141 -7.607 3.533 1.00 1.40 C ATOM 118 O ARG A 8 13.786 -6.679 4.049 1.00 14.14 O ATOM 119 CB ARG A 8 13.663 -9.539 5.087 1.00 51.22 C ATOM 120 CG ARG A 8 14.610 -8.778 5.988 1.00 73.32 C ATOM 121 CD ARG A 8 14.595 -9.348 7.391 1.00 34.43 C ATOM 122 NE ARG A 8 15.511 -8.651 8.300 1.00 50.15 N ATOM 123 CZ ARG A 8 15.717 -8.995 9.584 1.00 31.14 C ATOM 124 NH1 ARG A 8 15.066 -10.030 10.112 1.00 41.43 N ATOM 125 NH2 ARG A 8 16.578 -8.307 10.328 1.00 25.14 N ATOM 0 H ARG A 8 15.641 -8.844 3.519 1.00 22.03 H new ATOM 0 HA ARG A 8 12.870 -9.706 3.161 1.00 44.24 H new ATOM 0 HB2 ARG A 8 12.663 -9.492 5.517 1.00 51.22 H new ATOM 0 HB3 ARG A 8 13.959 -10.588 5.080 1.00 51.22 H new ATOM 0 HG2 ARG A 8 15.621 -8.825 5.583 1.00 73.32 H new ATOM 0 HG3 ARG A 8 14.326 -7.726 6.015 1.00 73.32 H new ATOM 0 HD2 ARG A 8 13.582 -9.291 7.790 1.00 34.43 H new ATOM 0 HD3 ARG A 8 14.863 -10.404 7.352 1.00 34.43 H new ATOM 0 HE ARG A 8 16.027 -7.851 7.934 1.00 50.15 H new ATOM 0 HH11 ARG A 8 14.409 -10.564 9.542 1.00 41.43 H new ATOM 0 HH12 ARG A 8 15.224 -10.289 11.086 1.00 41.43 H new ATOM 0 HH21 ARG A 8 17.083 -7.518 9.925 1.00 25.14 H new ATOM 0 HH22 ARG A 8 16.733 -8.569 11.302 1.00 25.14 H new ATOM 139 N CYS A 9 12.098 -7.429 2.845 1.00 70.41 N ATOM 140 CA CYS A 9 11.605 -6.129 2.537 1.00 61.13 C ATOM 141 C CYS A 9 10.279 -5.915 3.223 1.00 13.03 C ATOM 142 O CYS A 9 9.537 -6.885 3.437 1.00 74.32 O ATOM 143 CB CYS A 9 11.455 -6.021 1.022 1.00 22.32 C ATOM 144 SG CYS A 9 13.001 -6.393 0.115 1.00 13.25 S ATOM 0 H CYS A 9 11.536 -8.190 2.462 1.00 70.41 H new ATOM 0 HA CYS A 9 12.296 -5.363 2.889 1.00 61.13 H new ATOM 0 HB2 CYS A 9 10.674 -6.705 0.691 1.00 22.32 H new ATOM 0 HB3 CYS A 9 11.125 -5.014 0.767 1.00 22.32 H new ATOM 149 N PRO A 10 9.976 -4.648 3.620 1.00 41.13 N ATOM 150 CA PRO A 10 8.717 -4.268 4.284 1.00 4.43 C ATOM 151 C PRO A 10 7.476 -4.934 3.677 1.00 0.11 C ATOM 152 O PRO A 10 6.564 -5.339 4.403 1.00 24.40 O ATOM 153 CB PRO A 10 8.674 -2.763 4.086 1.00 24.42 C ATOM 154 CG PRO A 10 10.105 -2.357 4.125 1.00 71.02 C ATOM 155 CD PRO A 10 10.878 -3.478 3.483 1.00 11.41 C ATOM 0 HA PRO A 10 8.699 -4.587 5.326 1.00 4.43 H new ATOM 0 HB2 PRO A 10 8.209 -2.498 3.136 1.00 24.42 H new ATOM 0 HB3 PRO A 10 8.098 -2.273 4.871 1.00 24.42 H new ATOM 0 HG2 PRO A 10 10.259 -1.421 3.588 1.00 71.02 H new ATOM 0 HG3 PRO A 10 10.435 -2.194 5.151 1.00 71.02 H new ATOM 0 HD2 PRO A 10 11.101 -3.264 2.438 1.00 11.41 H new ATOM 0 HD3 PRO A 10 11.831 -3.646 3.984 1.00 11.41 H new ATOM 163 N CYS A 11 7.432 -5.053 2.366 1.00 13.22 N ATOM 164 CA CYS A 11 6.338 -5.746 1.743 1.00 2.41 C ATOM 165 C CYS A 11 6.857 -6.577 0.584 1.00 70.42 C ATOM 166 O CYS A 11 7.837 -6.198 -0.066 1.00 41.21 O ATOM 167 CB CYS A 11 5.237 -4.786 1.282 1.00 21.13 C ATOM 168 SG CYS A 11 3.726 -5.650 0.759 1.00 72.35 S ATOM 0 H CYS A 11 8.133 -4.683 1.724 1.00 13.22 H new ATOM 0 HA CYS A 11 5.886 -6.405 2.484 1.00 2.41 H new ATOM 0 HB2 CYS A 11 4.996 -4.100 2.094 1.00 21.13 H new ATOM 0 HB3 CYS A 11 5.610 -4.182 0.455 1.00 21.13 H new ATOM 173 N ARG A 12 6.219 -7.703 0.342 1.00 44.42 N ATOM 174 CA ARG A 12 6.633 -8.618 -0.696 1.00 21.23 C ATOM 175 C ARG A 12 5.859 -8.351 -1.983 1.00 72.11 C ATOM 176 O ARG A 12 6.442 -7.973 -2.999 1.00 4.24 O ATOM 177 CB ARG A 12 6.411 -10.069 -0.254 1.00 32.14 C ATOM 178 CG ARG A 12 7.144 -10.467 1.019 1.00 45.23 C ATOM 179 CD ARG A 12 6.783 -11.887 1.413 1.00 74.21 C ATOM 180 NE ARG A 12 7.480 -12.349 2.622 1.00 72.20 N ATOM 181 CZ ARG A 12 6.949 -13.187 3.526 1.00 1.24 C ATOM 182 NH1 ARG A 12 5.677 -13.549 3.432 1.00 40.54 N ATOM 183 NH2 ARG A 12 7.690 -13.639 4.534 1.00 33.21 N ATOM 0 H ARG A 12 5.397 -8.009 0.862 1.00 44.42 H new ATOM 0 HA ARG A 12 7.696 -8.462 -0.881 1.00 21.23 H new ATOM 0 HB2 ARG A 12 5.343 -10.230 -0.107 1.00 32.14 H new ATOM 0 HB3 ARG A 12 6.725 -10.732 -1.060 1.00 32.14 H new ATOM 0 HG2 ARG A 12 8.220 -10.387 0.867 1.00 45.23 H new ATOM 0 HG3 ARG A 12 6.884 -9.781 1.826 1.00 45.23 H new ATOM 0 HD2 ARG A 12 5.707 -11.949 1.576 1.00 74.21 H new ATOM 0 HD3 ARG A 12 7.020 -12.557 0.587 1.00 74.21 H new ATOM 0 HE ARG A 12 8.429 -12.011 2.784 1.00 72.20 H new ATOM 0 HH11 ARG A 12 5.100 -13.191 2.671 1.00 40.54 H new ATOM 0 HH12 ARG A 12 5.276 -14.186 4.120 1.00 40.54 H new ATOM 0 HH21 ARG A 12 8.664 -13.349 4.621 1.00 33.21 H new ATOM 0 HH22 ARG A 12 7.284 -14.276 5.220 1.00 33.21 H new ATOM 197 N PHE A 13 4.547 -8.525 -1.925 1.00 64.23 N ATOM 198 CA PHE A 13 3.696 -8.362 -3.098 1.00 33.34 C ATOM 199 C PHE A 13 2.743 -7.200 -2.933 1.00 62.20 C ATOM 200 O PHE A 13 2.291 -6.901 -1.824 1.00 42.33 O ATOM 201 CB PHE A 13 2.919 -9.649 -3.411 1.00 45.42 C ATOM 202 CG PHE A 13 3.790 -10.808 -3.813 1.00 33.54 C ATOM 203 CD1 PHE A 13 4.194 -10.953 -5.128 1.00 10.44 C ATOM 204 CD2 PHE A 13 4.204 -11.744 -2.881 1.00 53.33 C ATOM 205 CE1 PHE A 13 4.995 -12.011 -5.510 1.00 62.22 C ATOM 206 CE2 PHE A 13 5.008 -12.804 -3.258 1.00 71.23 C ATOM 207 CZ PHE A 13 5.404 -12.935 -4.573 1.00 21.02 C ATOM 0 H PHE A 13 4.045 -8.780 -1.075 1.00 64.23 H new ATOM 0 HA PHE A 13 4.353 -8.147 -3.941 1.00 33.34 H new ATOM 0 HB2 PHE A 13 2.337 -9.932 -2.534 1.00 45.42 H new ATOM 0 HB3 PHE A 13 2.209 -9.446 -4.213 1.00 45.42 H new ATOM 0 HD1 PHE A 13 3.879 -10.230 -5.865 1.00 10.44 H new ATOM 0 HD2 PHE A 13 3.896 -11.646 -1.850 1.00 53.33 H new ATOM 0 HE1 PHE A 13 5.300 -12.114 -6.541 1.00 62.22 H new ATOM 0 HE2 PHE A 13 5.326 -13.529 -2.523 1.00 71.23 H new ATOM 0 HZ PHE A 13 6.034 -13.761 -4.868 1.00 21.02 H new ATOM 217 N PHE A 14 2.438 -6.559 -4.029 1.00 21.33 N ATOM 218 CA PHE A 14 1.591 -5.392 -4.041 1.00 33.44 C ATOM 219 C PHE A 14 0.321 -5.742 -4.795 1.00 73.03 C ATOM 220 O PHE A 14 0.370 -6.515 -5.765 1.00 22.22 O ATOM 221 CB PHE A 14 2.325 -4.271 -4.767 1.00 20.01 C ATOM 222 CG PHE A 14 3.752 -4.063 -4.308 1.00 64.13 C ATOM 223 CD1 PHE A 14 4.029 -3.598 -3.044 1.00 61.25 C ATOM 224 CD2 PHE A 14 4.812 -4.360 -5.149 1.00 41.35 C ATOM 225 CE1 PHE A 14 5.320 -3.428 -2.625 1.00 61.53 C ATOM 226 CE2 PHE A 14 6.112 -4.193 -4.731 1.00 24.35 C ATOM 227 CZ PHE A 14 6.367 -3.724 -3.467 1.00 31.31 C ATOM 0 H PHE A 14 2.774 -6.834 -4.952 1.00 21.33 H new ATOM 0 HA PHE A 14 1.347 -5.072 -3.028 1.00 33.44 H new ATOM 0 HB2 PHE A 14 2.327 -4.486 -5.836 1.00 20.01 H new ATOM 0 HB3 PHE A 14 1.772 -3.342 -4.630 1.00 20.01 H new ATOM 0 HD1 PHE A 14 3.216 -3.364 -2.373 1.00 61.25 H new ATOM 0 HD2 PHE A 14 4.615 -4.727 -6.145 1.00 41.35 H new ATOM 0 HE1 PHE A 14 5.518 -3.060 -1.629 1.00 61.53 H new ATOM 0 HE2 PHE A 14 6.929 -4.430 -5.396 1.00 24.35 H new ATOM 0 HZ PHE A 14 7.385 -3.588 -3.134 1.00 31.31 H new ATOM 237 N GLU A 15 -0.805 -5.207 -4.373 1.00 43.32 N ATOM 238 CA GLU A 15 -2.017 -5.509 -5.000 1.00 64.02 C ATOM 239 C GLU A 15 -2.226 -4.569 -6.186 1.00 50.05 C ATOM 240 O GLU A 15 -2.053 -3.352 -6.073 1.00 51.41 O ATOM 241 CB GLU A 15 -3.177 -5.396 -4.024 1.00 20.22 C ATOM 242 CG GLU A 15 -4.423 -5.956 -4.612 1.00 73.51 C ATOM 243 CD GLU A 15 -5.650 -5.823 -3.756 1.00 23.54 C ATOM 244 OE1 GLU A 15 -5.739 -6.497 -2.719 1.00 14.43 O ATOM 245 OE2 GLU A 15 -6.549 -5.044 -4.130 1.00 12.04 O ATOM 0 H GLU A 15 -0.877 -4.558 -3.589 1.00 43.32 H new ATOM 0 HA GLU A 15 -1.980 -6.538 -5.357 1.00 64.02 H new ATOM 0 HB2 GLU A 15 -2.935 -5.926 -3.103 1.00 20.22 H new ATOM 0 HB3 GLU A 15 -3.333 -4.350 -3.759 1.00 20.22 H new ATOM 0 HG2 GLU A 15 -4.610 -5.462 -5.566 1.00 73.51 H new ATOM 0 HG3 GLU A 15 -4.262 -7.012 -4.826 1.00 73.51 H new ATOM 252 N SER A 16 -2.589 -5.134 -7.299 1.00 43.15 N ATOM 253 CA SER A 16 -2.803 -4.390 -8.510 1.00 52.14 C ATOM 254 C SER A 16 -4.308 -4.257 -8.794 1.00 75.33 C ATOM 255 O SER A 16 -4.729 -4.099 -9.942 1.00 30.03 O ATOM 256 CB SER A 16 -2.101 -5.121 -9.649 1.00 50.23 C ATOM 257 OG SER A 16 -0.714 -5.263 -9.365 1.00 44.02 O ATOM 0 H SER A 16 -2.747 -6.137 -7.395 1.00 43.15 H new ATOM 0 HA SER A 16 -2.395 -3.384 -8.411 1.00 52.14 H new ATOM 0 HB2 SER A 16 -2.552 -6.103 -9.792 1.00 50.23 H new ATOM 0 HB3 SER A 16 -2.234 -4.570 -10.580 1.00 50.23 H new ATOM 0 HG SER A 16 -0.276 -5.735 -10.103 1.00 44.02 H new ATOM 263 N HIS A 17 -5.109 -4.283 -7.744 1.00 63.11 N ATOM 264 CA HIS A 17 -6.552 -4.192 -7.893 1.00 14.45 C ATOM 265 C HIS A 17 -7.116 -3.202 -6.859 1.00 51.15 C ATOM 266 O HIS A 17 -8.309 -3.173 -6.582 1.00 42.20 O ATOM 267 CB HIS A 17 -7.173 -5.594 -7.709 1.00 72.12 C ATOM 268 CG HIS A 17 -8.627 -5.679 -8.083 1.00 71.11 C ATOM 269 ND1 HIS A 17 -9.646 -5.622 -7.171 1.00 2.33 N ATOM 270 CD2 HIS A 17 -9.215 -5.813 -9.288 1.00 1.14 C ATOM 271 CE1 HIS A 17 -10.792 -5.714 -7.793 1.00 45.24 C ATOM 272 NE2 HIS A 17 -10.560 -5.830 -9.079 1.00 30.12 N ATOM 0 H HIS A 17 -4.786 -4.366 -6.780 1.00 63.11 H new ATOM 0 HA HIS A 17 -6.802 -3.827 -8.889 1.00 14.45 H new ATOM 0 HB2 HIS A 17 -6.612 -6.309 -8.311 1.00 72.12 H new ATOM 0 HB3 HIS A 17 -7.059 -5.896 -6.668 1.00 72.12 H new ATOM 0 HD2 HIS A 17 -8.713 -5.892 -10.241 1.00 1.14 H new ATOM 0 HE1 HIS A 17 -11.766 -5.697 -7.327 1.00 45.24 H new ATOM 0 HE2 HIS A 17 -11.272 -5.919 -9.804 1.00 30.12 H new ATOM 281 N VAL A 18 -6.256 -2.367 -6.332 1.00 61.31 N ATOM 282 CA VAL A 18 -6.661 -1.430 -5.293 1.00 5.23 C ATOM 283 C VAL A 18 -7.455 -0.274 -5.893 1.00 63.12 C ATOM 284 O VAL A 18 -7.138 0.197 -6.994 1.00 75.22 O ATOM 285 CB VAL A 18 -5.444 -0.882 -4.519 1.00 13.41 C ATOM 286 CG1 VAL A 18 -5.891 -0.029 -3.331 1.00 12.43 C ATOM 287 CG2 VAL A 18 -4.564 -2.020 -4.055 1.00 42.21 C ATOM 0 H VAL A 18 -5.273 -2.310 -6.598 1.00 61.31 H new ATOM 0 HA VAL A 18 -7.294 -1.974 -4.592 1.00 5.23 H new ATOM 0 HB VAL A 18 -4.868 -0.246 -5.191 1.00 13.41 H new ATOM 0 HG11 VAL A 18 -5.015 0.345 -2.802 1.00 12.43 H new ATOM 0 HG12 VAL A 18 -6.485 0.812 -3.690 1.00 12.43 H new ATOM 0 HG13 VAL A 18 -6.492 -0.635 -2.654 1.00 12.43 H new ATOM 0 HG21 VAL A 18 -3.709 -1.620 -3.510 1.00 42.21 H new ATOM 0 HG22 VAL A 18 -5.135 -2.678 -3.401 1.00 42.21 H new ATOM 0 HG23 VAL A 18 -4.212 -2.584 -4.919 1.00 42.21 H new ATOM 297 N ALA A 19 -8.479 0.168 -5.189 1.00 33.00 N ATOM 298 CA ALA A 19 -9.305 1.251 -5.652 1.00 72.40 C ATOM 299 C ALA A 19 -9.150 2.477 -4.762 1.00 42.21 C ATOM 300 O ALA A 19 -9.045 2.361 -3.534 1.00 61.13 O ATOM 301 CB ALA A 19 -10.764 0.820 -5.699 1.00 22.31 C ATOM 0 H ALA A 19 -8.756 -0.215 -4.285 1.00 33.00 H new ATOM 0 HA ALA A 19 -8.980 1.516 -6.658 1.00 72.40 H new ATOM 0 HB1 ALA A 19 -11.377 1.649 -6.051 1.00 22.31 H new ATOM 0 HB2 ALA A 19 -10.872 -0.025 -6.379 1.00 22.31 H new ATOM 0 HB3 ALA A 19 -11.089 0.527 -4.701 1.00 22.31 H new ATOM 307 N ARG A 20 -9.156 3.654 -5.383 1.00 41.21 N ATOM 308 CA ARG A 20 -9.067 4.932 -4.662 1.00 3.12 C ATOM 309 C ARG A 20 -10.284 5.103 -3.739 1.00 74.11 C ATOM 310 O ARG A 20 -10.202 5.712 -2.675 1.00 72.51 O ATOM 311 CB ARG A 20 -8.985 6.109 -5.666 1.00 24.34 C ATOM 312 CG ARG A 20 -9.011 7.506 -5.026 1.00 70.41 C ATOM 313 CD ARG A 20 -7.791 7.787 -4.150 1.00 61.43 C ATOM 314 NE ARG A 20 -7.939 9.053 -3.417 1.00 43.41 N ATOM 315 CZ ARG A 20 -6.950 9.818 -2.945 1.00 74.10 C ATOM 316 NH1 ARG A 20 -5.683 9.577 -3.269 1.00 55.21 N ATOM 317 NH2 ARG A 20 -7.242 10.872 -2.188 1.00 21.33 N ATOM 0 H ARG A 20 -9.222 3.754 -6.396 1.00 41.21 H new ATOM 0 HA ARG A 20 -8.163 4.930 -4.053 1.00 3.12 H new ATOM 0 HB2 ARG A 20 -8.069 6.008 -6.248 1.00 24.34 H new ATOM 0 HB3 ARG A 20 -9.817 6.030 -6.366 1.00 24.34 H new ATOM 0 HG2 ARG A 20 -9.067 8.258 -5.813 1.00 70.41 H new ATOM 0 HG3 ARG A 20 -9.914 7.606 -4.424 1.00 70.41 H new ATOM 0 HD2 ARG A 20 -7.652 6.969 -3.443 1.00 61.43 H new ATOM 0 HD3 ARG A 20 -6.896 7.827 -4.771 1.00 61.43 H new ATOM 0 HE ARG A 20 -8.891 9.380 -3.252 1.00 43.41 H new ATOM 0 HH11 ARG A 20 -5.454 8.798 -3.887 1.00 55.21 H new ATOM 0 HH12 ARG A 20 -4.940 10.171 -2.900 1.00 55.21 H new ATOM 0 HH21 ARG A 20 -8.214 11.091 -1.972 1.00 21.33 H new ATOM 0 HH22 ARG A 20 -6.493 11.461 -1.824 1.00 21.33 H new ATOM 331 N ALA A 21 -11.391 4.537 -4.149 1.00 75.31 N ATOM 332 CA ALA A 21 -12.623 4.607 -3.388 1.00 30.50 C ATOM 333 C ALA A 21 -12.597 3.698 -2.150 1.00 22.00 C ATOM 334 O ALA A 21 -13.505 3.758 -1.312 1.00 44.42 O ATOM 335 CB ALA A 21 -13.804 4.254 -4.273 1.00 44.53 C ATOM 0 H ALA A 21 -11.468 4.013 -5.021 1.00 75.31 H new ATOM 0 HA ALA A 21 -12.727 5.632 -3.033 1.00 30.50 H new ATOM 0 HB1 ALA A 21 -14.724 4.310 -3.691 1.00 44.53 H new ATOM 0 HB2 ALA A 21 -13.858 4.956 -5.105 1.00 44.53 H new ATOM 0 HB3 ALA A 21 -13.680 3.242 -4.659 1.00 44.53 H new ATOM 341 N ASN A 22 -11.575 2.866 -2.022 1.00 61.44 N ATOM 342 CA ASN A 22 -11.505 1.946 -0.896 1.00 55.22 C ATOM 343 C ASN A 22 -10.276 2.216 -0.024 1.00 22.23 C ATOM 344 O ASN A 22 -10.092 1.600 1.002 1.00 75.10 O ATOM 345 CB ASN A 22 -11.476 0.508 -1.391 1.00 60.52 C ATOM 346 CG ASN A 22 -11.620 -0.514 -0.271 1.00 11.42 C ATOM 347 OD1 ASN A 22 -12.330 -0.297 0.734 1.00 72.52 O ATOM 348 ND2 ASN A 22 -10.916 -1.580 -0.398 1.00 14.45 N ATOM 0 H ASN A 22 -10.792 2.808 -2.674 1.00 61.44 H new ATOM 0 HA ASN A 22 -12.395 2.104 -0.287 1.00 55.22 H new ATOM 0 HB2 ASN A 22 -12.280 0.363 -2.113 1.00 60.52 H new ATOM 0 HB3 ASN A 22 -10.538 0.331 -1.918 1.00 60.52 H new ATOM 0 HD21 ASN A 22 -10.924 -2.287 0.337 1.00 14.45 H new ATOM 0 HD22 ASN A 22 -10.349 -1.720 -1.234 1.00 14.45 H new ATOM 355 N VAL A 23 -9.446 3.138 -0.419 1.00 14.51 N ATOM 356 CA VAL A 23 -8.253 3.425 0.369 1.00 24.41 C ATOM 357 C VAL A 23 -8.539 4.481 1.446 1.00 35.33 C ATOM 358 O VAL A 23 -9.025 5.578 1.147 1.00 4.31 O ATOM 359 CB VAL A 23 -7.039 3.836 -0.520 1.00 71.11 C ATOM 360 CG1 VAL A 23 -7.331 5.073 -1.354 1.00 30.31 C ATOM 361 CG2 VAL A 23 -5.815 4.057 0.333 1.00 73.11 C ATOM 0 H VAL A 23 -9.557 3.701 -1.262 1.00 14.51 H new ATOM 0 HA VAL A 23 -7.975 2.498 0.871 1.00 24.41 H new ATOM 0 HB VAL A 23 -6.852 3.015 -1.212 1.00 71.11 H new ATOM 0 HG11 VAL A 23 -6.457 5.321 -1.956 1.00 30.31 H new ATOM 0 HG12 VAL A 23 -8.180 4.878 -2.010 1.00 30.31 H new ATOM 0 HG13 VAL A 23 -7.566 5.909 -0.695 1.00 30.31 H new ATOM 0 HG21 VAL A 23 -4.976 4.343 -0.301 1.00 73.11 H new ATOM 0 HG22 VAL A 23 -6.012 4.851 1.054 1.00 73.11 H new ATOM 0 HG23 VAL A 23 -5.571 3.137 0.864 1.00 73.11 H new ATOM 371 N LYS A 24 -8.278 4.144 2.704 1.00 45.45 N ATOM 372 CA LYS A 24 -8.509 5.093 3.771 1.00 54.24 C ATOM 373 C LYS A 24 -7.245 5.880 4.108 1.00 41.12 C ATOM 374 O LYS A 24 -7.322 7.036 4.526 1.00 51.02 O ATOM 375 CB LYS A 24 -9.111 4.443 5.023 1.00 62.34 C ATOM 376 CG LYS A 24 -8.234 3.471 5.778 1.00 22.32 C ATOM 377 CD LYS A 24 -8.999 2.864 6.955 1.00 30.50 C ATOM 378 CE LYS A 24 -9.590 3.952 7.853 1.00 72.53 C ATOM 379 NZ LYS A 24 -10.294 3.401 9.019 1.00 74.21 N ATOM 0 H LYS A 24 -7.914 3.238 3.000 1.00 45.45 H new ATOM 0 HA LYS A 24 -9.252 5.798 3.397 1.00 54.24 H new ATOM 0 HB2 LYS A 24 -9.406 5.237 5.709 1.00 62.34 H new ATOM 0 HB3 LYS A 24 -10.022 3.921 4.730 1.00 62.34 H new ATOM 0 HG2 LYS A 24 -7.897 2.680 5.108 1.00 22.32 H new ATOM 0 HG3 LYS A 24 -7.342 3.982 6.141 1.00 22.32 H new ATOM 0 HD2 LYS A 24 -9.798 2.224 6.581 1.00 30.50 H new ATOM 0 HD3 LYS A 24 -8.331 2.231 7.539 1.00 30.50 H new ATOM 0 HE2 LYS A 24 -8.791 4.611 8.193 1.00 72.53 H new ATOM 0 HE3 LYS A 24 -10.281 4.563 7.271 1.00 72.53 H new ATOM 0 HZ1 LYS A 24 -10.675 4.179 9.594 1.00 74.21 H new ATOM 0 HZ2 LYS A 24 -11.075 2.793 8.698 1.00 74.21 H new ATOM 0 HZ3 LYS A 24 -9.631 2.840 9.591 1.00 74.21 H new ATOM 393 N HIS A 25 -6.075 5.261 3.927 1.00 44.11 N ATOM 394 CA HIS A 25 -4.828 5.973 4.171 1.00 61.43 C ATOM 395 C HIS A 25 -3.740 5.502 3.241 1.00 52.35 C ATOM 396 O HIS A 25 -3.692 4.319 2.892 1.00 65.41 O ATOM 397 CB HIS A 25 -4.349 5.947 5.666 1.00 54.51 C ATOM 398 CG HIS A 25 -3.726 4.708 6.247 1.00 64.50 C ATOM 399 ND1 HIS A 25 -3.105 4.727 7.469 1.00 60.10 N ATOM 400 CD2 HIS A 25 -3.581 3.453 5.791 1.00 65.35 C ATOM 401 CE1 HIS A 25 -2.611 3.559 7.737 1.00 24.55 C ATOM 402 NE2 HIS A 25 -2.880 2.754 6.740 1.00 50.50 N ATOM 0 H HIS A 25 -5.970 4.294 3.620 1.00 44.11 H new ATOM 0 HA HIS A 25 -5.047 7.019 3.957 1.00 61.43 H new ATOM 0 HB2 HIS A 25 -3.629 6.756 5.787 1.00 54.51 H new ATOM 0 HB3 HIS A 25 -5.212 6.193 6.285 1.00 54.51 H new ATOM 0 HD1 HIS A 25 -3.041 5.542 8.079 1.00 60.10 H new ATOM 0 HD2 HIS A 25 -3.948 3.066 4.852 1.00 65.35 H new ATOM 0 HE1 HIS A 25 -2.068 3.294 8.633 1.00 24.55 H new ATOM 411 N LEU A 26 -2.891 6.414 2.849 1.00 22.11 N ATOM 412 CA LEU A 26 -1.780 6.128 1.972 1.00 3.50 C ATOM 413 C LEU A 26 -0.492 6.204 2.755 1.00 53.00 C ATOM 414 O LEU A 26 -0.318 7.092 3.590 1.00 24.30 O ATOM 415 CB LEU A 26 -1.710 7.117 0.780 1.00 33.22 C ATOM 416 CG LEU A 26 -2.812 7.054 -0.307 1.00 5.45 C ATOM 417 CD1 LEU A 26 -2.865 5.683 -0.958 1.00 0.11 C ATOM 418 CD2 LEU A 26 -4.181 7.485 0.216 1.00 51.03 C ATOM 0 H LEU A 26 -2.950 7.392 3.132 1.00 22.11 H new ATOM 0 HA LEU A 26 -1.926 5.126 1.568 1.00 3.50 H new ATOM 0 HB2 LEU A 26 -1.707 8.127 1.189 1.00 33.22 H new ATOM 0 HB3 LEU A 26 -0.750 6.971 0.285 1.00 33.22 H new ATOM 0 HG LEU A 26 -2.538 7.778 -1.075 1.00 5.45 H new ATOM 0 HD11 LEU A 26 -3.648 5.670 -1.716 1.00 0.11 H new ATOM 0 HD12 LEU A 26 -1.904 5.464 -1.425 1.00 0.11 H new ATOM 0 HD13 LEU A 26 -3.081 4.929 -0.201 1.00 0.11 H new ATOM 0 HD21 LEU A 26 -4.914 7.421 -0.588 1.00 51.03 H new ATOM 0 HD22 LEU A 26 -4.481 6.830 1.034 1.00 51.03 H new ATOM 0 HD23 LEU A 26 -4.126 8.512 0.576 1.00 51.03 H new ATOM 430 N LYS A 27 0.377 5.282 2.510 1.00 63.23 N ATOM 431 CA LYS A 27 1.666 5.230 3.144 1.00 65.10 C ATOM 432 C LYS A 27 2.646 4.652 2.148 1.00 31.33 C ATOM 433 O LYS A 27 2.404 3.617 1.603 1.00 63.03 O ATOM 434 CB LYS A 27 1.572 4.347 4.397 1.00 14.41 C ATOM 435 CG LYS A 27 2.872 4.168 5.157 1.00 11.04 C ATOM 436 CD LYS A 27 2.676 3.312 6.402 1.00 34.41 C ATOM 437 CE LYS A 27 1.689 3.949 7.383 1.00 22.24 C ATOM 438 NZ LYS A 27 2.128 5.300 7.811 1.00 54.34 N ATOM 0 H LYS A 27 0.214 4.522 1.849 1.00 63.23 H new ATOM 0 HA LYS A 27 2.000 6.222 3.450 1.00 65.10 H new ATOM 0 HB2 LYS A 27 0.831 4.777 5.071 1.00 14.41 H new ATOM 0 HB3 LYS A 27 1.203 3.364 4.103 1.00 14.41 H new ATOM 0 HG2 LYS A 27 3.614 3.703 4.507 1.00 11.04 H new ATOM 0 HG3 LYS A 27 3.265 5.144 5.443 1.00 11.04 H new ATOM 0 HD2 LYS A 27 2.314 2.326 6.111 1.00 34.41 H new ATOM 0 HD3 LYS A 27 3.636 3.166 6.897 1.00 34.41 H new ATOM 0 HE2 LYS A 27 0.706 4.018 6.916 1.00 22.24 H new ATOM 0 HE3 LYS A 27 1.582 3.308 8.258 1.00 22.24 H new ATOM 0 HZ1 LYS A 27 1.541 5.620 8.608 1.00 54.34 H new ATOM 0 HZ2 LYS A 27 3.124 5.264 8.108 1.00 54.34 H new ATOM 0 HZ3 LYS A 27 2.027 5.965 7.018 1.00 54.34 H new ATOM 452 N ILE A 28 3.715 5.332 1.885 1.00 12.00 N ATOM 453 CA ILE A 28 4.667 4.848 0.917 1.00 54.22 C ATOM 454 C ILE A 28 6.058 4.831 1.524 1.00 44.22 C ATOM 455 O ILE A 28 6.577 5.870 1.953 1.00 33.04 O ATOM 456 CB ILE A 28 4.667 5.702 -0.383 1.00 33.12 C ATOM 457 CG1 ILE A 28 3.259 5.753 -0.999 1.00 23.33 C ATOM 458 CG2 ILE A 28 5.651 5.119 -1.390 1.00 25.25 C ATOM 459 CD1 ILE A 28 3.161 6.555 -2.287 1.00 71.52 C ATOM 0 H ILE A 28 3.957 6.222 2.321 1.00 12.00 H new ATOM 0 HA ILE A 28 4.370 3.835 0.644 1.00 54.22 H new ATOM 0 HB ILE A 28 4.972 6.717 -0.128 1.00 33.12 H new ATOM 0 HG12 ILE A 28 2.925 4.734 -1.194 1.00 23.33 H new ATOM 0 HG13 ILE A 28 2.572 6.179 -0.268 1.00 23.33 H new ATOM 0 HG21 ILE A 28 5.644 5.723 -2.297 1.00 25.25 H new ATOM 0 HG22 ILE A 28 6.653 5.119 -0.961 1.00 25.25 H new ATOM 0 HG23 ILE A 28 5.360 4.097 -1.633 1.00 25.25 H new ATOM 0 HD11 ILE A 28 2.133 6.537 -2.650 1.00 71.52 H new ATOM 0 HD12 ILE A 28 3.460 7.586 -2.097 1.00 71.52 H new ATOM 0 HD13 ILE A 28 3.819 6.118 -3.038 1.00 71.52 H new ATOM 471 N LEU A 29 6.650 3.671 1.554 1.00 53.22 N ATOM 472 CA LEU A 29 7.951 3.492 2.124 1.00 73.45 C ATOM 473 C LEU A 29 8.962 3.205 1.025 1.00 73.12 C ATOM 474 O LEU A 29 8.850 2.206 0.286 1.00 72.41 O ATOM 475 CB LEU A 29 7.929 2.367 3.172 1.00 10.12 C ATOM 476 CG LEU A 29 9.253 2.076 3.894 1.00 42.34 C ATOM 477 CD1 LEU A 29 9.766 3.316 4.610 1.00 60.20 C ATOM 478 CD2 LEU A 29 9.068 0.948 4.886 1.00 23.01 C ATOM 0 H LEU A 29 6.238 2.816 1.180 1.00 53.22 H new ATOM 0 HA LEU A 29 8.249 4.410 2.631 1.00 73.45 H new ATOM 0 HB2 LEU A 29 7.179 2.615 3.923 1.00 10.12 H new ATOM 0 HB3 LEU A 29 7.599 1.451 2.682 1.00 10.12 H new ATOM 0 HG LEU A 29 9.990 1.781 3.147 1.00 42.34 H new ATOM 0 HD11 LEU A 29 10.704 3.083 5.113 1.00 60.20 H new ATOM 0 HD12 LEU A 29 9.931 4.113 3.885 1.00 60.20 H new ATOM 0 HD13 LEU A 29 9.031 3.642 5.346 1.00 60.20 H new ATOM 0 HD21 LEU A 29 10.013 0.750 5.392 1.00 23.01 H new ATOM 0 HD22 LEU A 29 8.315 1.230 5.621 1.00 23.01 H new ATOM 0 HD23 LEU A 29 8.743 0.050 4.360 1.00 23.01 H new ATOM 490 N ASN A 30 9.935 4.066 0.922 1.00 74.12 N ATOM 491 CA ASN A 30 10.954 3.967 -0.101 1.00 22.23 C ATOM 492 C ASN A 30 12.056 3.086 0.420 1.00 4.30 C ATOM 493 O ASN A 30 12.660 3.399 1.443 1.00 24.45 O ATOM 494 CB ASN A 30 11.555 5.360 -0.407 1.00 3.33 C ATOM 495 CG ASN A 30 10.534 6.413 -0.824 1.00 13.15 C ATOM 496 OD1 ASN A 30 10.239 6.589 -2.007 1.00 73.13 O ATOM 497 ND2 ASN A 30 10.011 7.138 0.137 1.00 51.21 N ATOM 0 H ASN A 30 10.050 4.864 1.547 1.00 74.12 H new ATOM 0 HA ASN A 30 10.511 3.560 -1.010 1.00 22.23 H new ATOM 0 HB2 ASN A 30 12.084 5.715 0.477 1.00 3.33 H new ATOM 0 HB3 ASN A 30 12.295 5.256 -1.200 1.00 3.33 H new ATOM 0 HD21 ASN A 30 9.339 7.872 -0.086 1.00 51.21 H new ATOM 0 HD22 ASN A 30 10.276 6.967 1.107 1.00 51.21 H new ATOM 504 N THR A 31 12.305 1.973 -0.214 1.00 42.32 N ATOM 505 CA THR A 31 13.367 1.145 0.228 1.00 32.40 C ATOM 506 C THR A 31 14.384 1.007 -0.918 1.00 23.23 C ATOM 507 O THR A 31 13.995 0.752 -2.033 1.00 73.43 O ATOM 508 CB THR A 31 12.801 -0.210 0.673 1.00 12.11 C ATOM 509 OG1 THR A 31 11.733 0.042 1.600 1.00 13.50 O ATOM 510 CG2 THR A 31 13.845 -1.018 1.390 1.00 35.52 C ATOM 0 H THR A 31 11.790 1.631 -1.025 1.00 42.32 H new ATOM 0 HA THR A 31 13.879 1.580 1.086 1.00 32.40 H new ATOM 0 HB THR A 31 12.463 -0.759 -0.206 1.00 12.11 H new ATOM 0 HG1 THR A 31 11.862 -0.503 2.404 1.00 13.50 H new ATOM 0 HG21 THR A 31 13.419 -1.974 1.695 1.00 35.52 H new ATOM 0 HG22 THR A 31 14.690 -1.193 0.724 1.00 35.52 H new ATOM 0 HG23 THR A 31 14.184 -0.474 2.271 1.00 35.52 H new ATOM 518 N PRO A 32 15.688 1.239 -0.655 1.00 51.35 N ATOM 519 CA PRO A 32 16.740 1.207 -1.694 1.00 10.02 C ATOM 520 C PRO A 32 16.889 -0.144 -2.404 1.00 63.45 C ATOM 521 O PRO A 32 16.735 -0.242 -3.619 1.00 32.30 O ATOM 522 CB PRO A 32 18.032 1.526 -0.920 1.00 12.34 C ATOM 523 CG PRO A 32 17.582 2.165 0.346 1.00 10.22 C ATOM 524 CD PRO A 32 16.245 1.576 0.664 1.00 54.33 C ATOM 0 HA PRO A 32 16.498 1.908 -2.492 1.00 10.02 H new ATOM 0 HB2 PRO A 32 18.606 0.621 -0.722 1.00 12.34 H new ATOM 0 HB3 PRO A 32 18.678 2.194 -1.490 1.00 12.34 H new ATOM 0 HG2 PRO A 32 18.292 1.974 1.151 1.00 10.22 H new ATOM 0 HG3 PRO A 32 17.513 3.247 0.232 1.00 10.22 H new ATOM 0 HD2 PRO A 32 16.337 0.693 1.297 1.00 54.33 H new ATOM 0 HD3 PRO A 32 15.612 2.285 1.196 1.00 54.33 H new ATOM 532 N ASN A 33 17.167 -1.179 -1.636 1.00 73.20 N ATOM 533 CA ASN A 33 17.468 -2.506 -2.196 1.00 24.14 C ATOM 534 C ASN A 33 16.223 -3.352 -2.330 1.00 60.15 C ATOM 535 O ASN A 33 16.276 -4.529 -2.707 1.00 2.23 O ATOM 536 CB ASN A 33 18.515 -3.227 -1.347 1.00 75.43 C ATOM 537 CG ASN A 33 19.830 -2.478 -1.278 1.00 15.41 C ATOM 538 OD1 ASN A 33 20.712 -2.672 -2.109 1.00 72.42 O ATOM 539 ND2 ASN A 33 19.974 -1.622 -0.295 1.00 72.52 N ATOM 0 H ASN A 33 17.194 -1.138 -0.617 1.00 73.20 H new ATOM 0 HA ASN A 33 17.873 -2.353 -3.196 1.00 24.14 H new ATOM 0 HB2 ASN A 33 18.127 -3.364 -0.338 1.00 75.43 H new ATOM 0 HB3 ASN A 33 18.689 -4.221 -1.759 1.00 75.43 H new ATOM 0 HD21 ASN A 33 20.841 -1.092 -0.203 1.00 72.52 H new ATOM 0 HD22 ASN A 33 19.219 -1.486 0.378 1.00 72.52 H new ATOM 546 N CYS A 34 15.125 -2.754 -2.030 1.00 74.43 N ATOM 547 CA CYS A 34 13.847 -3.336 -2.137 1.00 4.25 C ATOM 548 C CYS A 34 13.017 -2.456 -3.016 1.00 54.15 C ATOM 549 O CYS A 34 13.493 -1.419 -3.475 1.00 35.41 O ATOM 550 CB CYS A 34 13.221 -3.518 -0.779 1.00 75.43 C ATOM 551 SG CYS A 34 14.096 -4.697 0.301 1.00 40.01 S ATOM 0 H CYS A 34 15.100 -1.794 -1.685 1.00 74.43 H new ATOM 0 HA CYS A 34 13.918 -4.331 -2.577 1.00 4.25 H new ATOM 0 HB2 CYS A 34 13.177 -2.550 -0.280 1.00 75.43 H new ATOM 0 HB3 CYS A 34 12.193 -3.857 -0.909 1.00 75.43 H new ATOM 556 N ALA A 35 11.832 -2.851 -3.293 1.00 32.11 N ATOM 557 CA ALA A 35 11.007 -2.108 -4.182 1.00 31.34 C ATOM 558 C ALA A 35 10.355 -0.949 -3.467 1.00 33.33 C ATOM 559 O ALA A 35 10.410 -0.839 -2.230 1.00 22.23 O ATOM 560 CB ALA A 35 9.968 -3.014 -4.800 1.00 2.02 C ATOM 0 H ALA A 35 11.402 -3.695 -2.914 1.00 32.11 H new ATOM 0 HA ALA A 35 11.630 -1.699 -4.978 1.00 31.34 H new ATOM 0 HB1 ALA A 35 9.340 -2.437 -5.479 1.00 2.02 H new ATOM 0 HB2 ALA A 35 10.464 -3.812 -5.353 1.00 2.02 H new ATOM 0 HB3 ALA A 35 9.349 -3.447 -4.014 1.00 2.02 H new ATOM 566 N LEU A 36 9.770 -0.080 -4.238 1.00 23.33 N ATOM 567 CA LEU A 36 9.034 1.014 -3.714 1.00 1.33 C ATOM 568 C LEU A 36 7.716 0.451 -3.215 1.00 51.01 C ATOM 569 O LEU A 36 6.849 0.057 -4.008 1.00 54.11 O ATOM 570 CB LEU A 36 8.865 2.109 -4.817 1.00 10.32 C ATOM 571 CG LEU A 36 8.156 3.436 -4.451 1.00 63.04 C ATOM 572 CD1 LEU A 36 6.659 3.261 -4.274 1.00 62.04 C ATOM 573 CD2 LEU A 36 8.767 4.023 -3.195 1.00 31.43 C ATOM 0 H LEU A 36 9.795 -0.118 -5.257 1.00 23.33 H new ATOM 0 HA LEU A 36 9.543 1.505 -2.885 1.00 1.33 H new ATOM 0 HB2 LEU A 36 9.859 2.358 -5.189 1.00 10.32 H new ATOM 0 HB3 LEU A 36 8.317 1.660 -5.646 1.00 10.32 H new ATOM 0 HG LEU A 36 8.303 4.123 -5.284 1.00 63.04 H new ATOM 0 HD11 LEU A 36 6.208 4.220 -4.018 1.00 62.04 H new ATOM 0 HD12 LEU A 36 6.224 2.892 -5.202 1.00 62.04 H new ATOM 0 HD13 LEU A 36 6.468 2.546 -3.474 1.00 62.04 H new ATOM 0 HD21 LEU A 36 8.261 4.956 -2.946 1.00 31.43 H new ATOM 0 HD22 LEU A 36 8.654 3.318 -2.371 1.00 31.43 H new ATOM 0 HD23 LEU A 36 9.826 4.218 -3.362 1.00 31.43 H new ATOM 585 N GLN A 37 7.604 0.346 -1.923 1.00 14.13 N ATOM 586 CA GLN A 37 6.440 -0.247 -1.332 1.00 74.42 C ATOM 587 C GLN A 37 5.435 0.788 -0.912 1.00 73.30 C ATOM 588 O GLN A 37 5.736 1.703 -0.145 1.00 53.30 O ATOM 589 CB GLN A 37 6.847 -1.087 -0.138 1.00 62.14 C ATOM 590 CG GLN A 37 7.713 -2.281 -0.501 1.00 31.15 C ATOM 591 CD GLN A 37 8.933 -2.391 0.350 1.00 45.34 C ATOM 592 OE1 GLN A 37 9.408 -3.487 0.636 1.00 63.12 O ATOM 593 NE2 GLN A 37 9.480 -1.269 0.721 1.00 33.32 N ATOM 0 H GLN A 37 8.307 0.665 -1.256 1.00 14.13 H new ATOM 0 HA GLN A 37 5.967 -0.877 -2.085 1.00 74.42 H new ATOM 0 HB2 GLN A 37 7.387 -0.459 0.570 1.00 62.14 H new ATOM 0 HB3 GLN A 37 5.950 -1.441 0.370 1.00 62.14 H new ATOM 0 HG2 GLN A 37 7.125 -3.193 -0.404 1.00 31.15 H new ATOM 0 HG3 GLN A 37 8.011 -2.203 -1.547 1.00 31.15 H new ATOM 0 HE21 GLN A 37 9.050 -0.381 0.460 1.00 33.32 H new ATOM 0 HE22 GLN A 37 10.338 -1.278 1.272 1.00 33.32 H new ATOM 602 N ILE A 38 4.249 0.626 -1.398 1.00 13.20 N ATOM 603 CA ILE A 38 3.150 1.459 -1.037 1.00 33.43 C ATOM 604 C ILE A 38 2.254 0.628 -0.143 1.00 2.54 C ATOM 605 O ILE A 38 2.041 -0.542 -0.415 1.00 35.43 O ATOM 606 CB ILE A 38 2.359 1.898 -2.293 1.00 74.33 C ATOM 607 CG1 ILE A 38 3.268 2.650 -3.275 1.00 1.21 C ATOM 608 CG2 ILE A 38 1.132 2.744 -1.919 1.00 21.13 C ATOM 609 CD1 ILE A 38 2.594 3.021 -4.581 1.00 31.23 C ATOM 0 H ILE A 38 4.012 -0.103 -2.070 1.00 13.20 H new ATOM 0 HA ILE A 38 3.502 2.360 -0.534 1.00 33.43 H new ATOM 0 HB ILE A 38 1.996 0.997 -2.787 1.00 74.33 H new ATOM 0 HG12 ILE A 38 3.631 3.559 -2.795 1.00 1.21 H new ATOM 0 HG13 ILE A 38 4.141 2.033 -3.491 1.00 1.21 H new ATOM 0 HG21 ILE A 38 0.600 3.035 -2.825 1.00 21.13 H new ATOM 0 HG22 ILE A 38 0.469 2.161 -1.281 1.00 21.13 H new ATOM 0 HG23 ILE A 38 1.455 3.638 -1.386 1.00 21.13 H new ATOM 0 HD11 ILE A 38 3.303 3.549 -5.219 1.00 31.23 H new ATOM 0 HD12 ILE A 38 2.256 2.116 -5.086 1.00 31.23 H new ATOM 0 HD13 ILE A 38 1.738 3.665 -4.379 1.00 31.23 H new ATOM 621 N VAL A 39 1.786 1.203 0.909 1.00 51.21 N ATOM 622 CA VAL A 39 0.925 0.533 1.850 1.00 34.21 C ATOM 623 C VAL A 39 -0.375 1.323 1.990 1.00 22.33 C ATOM 624 O VAL A 39 -0.359 2.554 2.116 1.00 43.23 O ATOM 625 CB VAL A 39 1.609 0.402 3.246 1.00 30.33 C ATOM 626 CG1 VAL A 39 0.712 -0.333 4.226 1.00 64.42 C ATOM 627 CG2 VAL A 39 2.961 -0.298 3.138 1.00 70.33 C ATOM 0 H VAL A 39 1.989 2.172 1.154 1.00 51.21 H new ATOM 0 HA VAL A 39 0.718 -0.470 1.478 1.00 34.21 H new ATOM 0 HB VAL A 39 1.778 1.411 3.622 1.00 30.33 H new ATOM 0 HG11 VAL A 39 1.213 -0.410 5.191 1.00 64.42 H new ATOM 0 HG12 VAL A 39 -0.222 0.215 4.346 1.00 64.42 H new ATOM 0 HG13 VAL A 39 0.500 -1.333 3.846 1.00 64.42 H new ATOM 0 HG21 VAL A 39 3.412 -0.374 4.128 1.00 70.33 H new ATOM 0 HG22 VAL A 39 2.821 -1.297 2.726 1.00 70.33 H new ATOM 0 HG23 VAL A 39 3.617 0.276 2.484 1.00 70.33 H new ATOM 637 N ALA A 40 -1.473 0.633 1.957 1.00 30.14 N ATOM 638 CA ALA A 40 -2.768 1.245 2.054 1.00 71.22 C ATOM 639 C ALA A 40 -3.643 0.438 2.953 1.00 1.55 C ATOM 640 O ALA A 40 -3.446 -0.764 3.104 1.00 52.04 O ATOM 641 CB ALA A 40 -3.397 1.310 0.690 1.00 30.44 C ATOM 0 H ALA A 40 -1.499 -0.382 1.861 1.00 30.14 H new ATOM 0 HA ALA A 40 -2.656 2.251 2.459 1.00 71.22 H new ATOM 0 HB1 ALA A 40 -4.380 1.775 0.764 1.00 30.44 H new ATOM 0 HB2 ALA A 40 -2.766 1.901 0.026 1.00 30.44 H new ATOM 0 HB3 ALA A 40 -3.502 0.302 0.289 1.00 30.44 H new ATOM 647 N ARG A 41 -4.596 1.074 3.570 1.00 43.30 N ATOM 648 CA ARG A 41 -5.527 0.346 4.371 1.00 54.40 C ATOM 649 C ARG A 41 -6.884 0.547 3.781 1.00 44.53 C ATOM 650 O ARG A 41 -7.253 1.677 3.438 1.00 21.04 O ATOM 651 CB ARG A 41 -5.472 0.742 5.855 1.00 31.03 C ATOM 652 CG ARG A 41 -6.113 -0.299 6.754 1.00 1.34 C ATOM 653 CD ARG A 41 -5.630 -0.213 8.200 1.00 32.00 C ATOM 654 NE ARG A 41 -5.950 1.045 8.878 1.00 3.04 N ATOM 655 CZ ARG A 41 -5.433 1.411 10.065 1.00 22.50 C ATOM 656 NH1 ARG A 41 -4.476 0.679 10.634 1.00 40.33 N ATOM 657 NH2 ARG A 41 -5.860 2.509 10.667 1.00 42.32 N ATOM 0 H ARG A 41 -4.746 2.082 3.533 1.00 43.30 H new ATOM 0 HA ARG A 41 -5.268 -0.713 4.360 1.00 54.40 H new ATOM 0 HB2 ARG A 41 -4.433 0.885 6.152 1.00 31.03 H new ATOM 0 HB3 ARG A 41 -5.977 1.698 5.992 1.00 31.03 H new ATOM 0 HG2 ARG A 41 -7.196 -0.176 6.730 1.00 1.34 H new ATOM 0 HG3 ARG A 41 -5.897 -1.293 6.362 1.00 1.34 H new ATOM 0 HD2 ARG A 41 -6.068 -1.036 8.765 1.00 32.00 H new ATOM 0 HD3 ARG A 41 -4.549 -0.354 8.217 1.00 32.00 H new ATOM 0 HE ARG A 41 -6.604 1.682 8.423 1.00 3.04 H new ATOM 0 HH11 ARG A 41 -4.133 -0.162 10.170 1.00 40.33 H new ATOM 0 HH12 ARG A 41 -4.086 0.960 11.534 1.00 40.33 H new ATOM 0 HH21 ARG A 41 -6.583 3.081 10.231 1.00 42.32 H new ATOM 0 HH22 ARG A 41 -5.466 2.783 11.567 1.00 42.32 H new ATOM 671 N LEU A 42 -7.590 -0.523 3.621 1.00 35.12 N ATOM 672 CA LEU A 42 -8.875 -0.507 2.975 1.00 12.42 C ATOM 673 C LEU A 42 -9.948 0.001 3.915 1.00 24.22 C ATOM 674 O LEU A 42 -9.917 -0.288 5.099 1.00 2.22 O ATOM 675 CB LEU A 42 -9.208 -1.916 2.498 1.00 51.43 C ATOM 676 CG LEU A 42 -8.144 -2.571 1.617 1.00 20.14 C ATOM 677 CD1 LEU A 42 -8.577 -3.949 1.177 1.00 13.12 C ATOM 678 CD2 LEU A 42 -7.787 -1.689 0.426 1.00 3.22 C ATOM 0 H LEU A 42 -7.294 -1.447 3.936 1.00 35.12 H new ATOM 0 HA LEU A 42 -8.837 0.170 2.121 1.00 12.42 H new ATOM 0 HB2 LEU A 42 -9.375 -2.548 3.370 1.00 51.43 H new ATOM 0 HB3 LEU A 42 -10.146 -1.883 1.944 1.00 51.43 H new ATOM 0 HG LEU A 42 -7.241 -2.685 2.216 1.00 20.14 H new ATOM 0 HD11 LEU A 42 -7.802 -4.392 0.552 1.00 13.12 H new ATOM 0 HD12 LEU A 42 -8.739 -4.577 2.053 1.00 13.12 H new ATOM 0 HD13 LEU A 42 -9.504 -3.875 0.608 1.00 13.12 H new ATOM 0 HD21 LEU A 42 -7.028 -2.185 -0.179 1.00 3.22 H new ATOM 0 HD22 LEU A 42 -8.677 -1.516 -0.179 1.00 3.22 H new ATOM 0 HD23 LEU A 42 -7.400 -0.735 0.783 1.00 3.22 H new ATOM 690 N LYS A 43 -10.872 0.761 3.389 1.00 22.54 N ATOM 691 CA LYS A 43 -11.959 1.297 4.162 1.00 55.43 C ATOM 692 C LYS A 43 -12.917 0.203 4.560 1.00 50.24 C ATOM 693 O LYS A 43 -13.178 -0.010 5.751 1.00 44.40 O ATOM 694 CB LYS A 43 -12.725 2.366 3.366 1.00 2.04 C ATOM 695 CG LYS A 43 -11.907 3.572 2.970 1.00 55.15 C ATOM 696 CD LYS A 43 -12.729 4.603 2.221 1.00 3.14 C ATOM 697 CE LYS A 43 -13.838 5.153 3.105 1.00 0.51 C ATOM 698 NZ LYS A 43 -14.565 6.264 2.464 1.00 15.22 N ATOM 0 H LYS A 43 -10.891 1.027 2.404 1.00 22.54 H new ATOM 0 HA LYS A 43 -11.533 1.752 5.056 1.00 55.43 H new ATOM 0 HB2 LYS A 43 -13.128 1.907 2.464 1.00 2.04 H new ATOM 0 HB3 LYS A 43 -13.575 2.701 3.960 1.00 2.04 H new ATOM 0 HG2 LYS A 43 -11.481 4.029 3.863 1.00 55.15 H new ATOM 0 HG3 LYS A 43 -11.072 3.253 2.346 1.00 55.15 H new ATOM 0 HD2 LYS A 43 -12.085 5.417 1.889 1.00 3.14 H new ATOM 0 HD3 LYS A 43 -13.160 4.152 1.327 1.00 3.14 H new ATOM 0 HE2 LYS A 43 -14.539 4.353 3.345 1.00 0.51 H new ATOM 0 HE3 LYS A 43 -13.412 5.496 4.048 1.00 0.51 H new ATOM 0 HZ1 LYS A 43 -15.310 6.606 3.104 1.00 15.22 H new ATOM 0 HZ2 LYS A 43 -13.903 7.039 2.258 1.00 15.22 H new ATOM 0 HZ3 LYS A 43 -14.995 5.932 1.577 1.00 15.22 H new ATOM 712 N ASN A 44 -13.412 -0.517 3.574 1.00 24.04 N ATOM 713 CA ASN A 44 -14.449 -1.496 3.816 1.00 3.23 C ATOM 714 C ASN A 44 -13.910 -2.788 4.429 1.00 53.12 C ATOM 715 O ASN A 44 -14.543 -3.365 5.312 1.00 40.31 O ATOM 716 CB ASN A 44 -15.232 -1.787 2.520 1.00 12.33 C ATOM 717 CG ASN A 44 -16.411 -2.748 2.705 1.00 73.42 C ATOM 718 OD1 ASN A 44 -16.756 -3.506 1.791 1.00 15.35 O ATOM 719 ND2 ASN A 44 -17.057 -2.702 3.848 1.00 33.01 N ATOM 0 H ASN A 44 -13.114 -0.442 2.601 1.00 24.04 H new ATOM 0 HA ASN A 44 -15.129 -1.064 4.550 1.00 3.23 H new ATOM 0 HB2 ASN A 44 -15.604 -0.846 2.114 1.00 12.33 H new ATOM 0 HB3 ASN A 44 -14.548 -2.205 1.781 1.00 12.33 H new ATOM 0 HD21 ASN A 44 -17.867 -3.302 4.000 1.00 33.01 H new ATOM 0 HD22 ASN A 44 -16.748 -2.066 4.583 1.00 33.01 H new ATOM 726 N ASN A 45 -12.745 -3.226 4.006 1.00 54.35 N ATOM 727 CA ASN A 45 -12.220 -4.481 4.548 1.00 13.43 C ATOM 728 C ASN A 45 -11.260 -4.237 5.723 1.00 54.11 C ATOM 729 O ASN A 45 -11.025 -5.128 6.525 1.00 45.11 O ATOM 730 CB ASN A 45 -11.580 -5.353 3.442 1.00 4.00 C ATOM 731 CG ASN A 45 -11.236 -6.781 3.893 1.00 14.01 C ATOM 732 OD1 ASN A 45 -11.885 -7.343 4.779 1.00 54.11 O ATOM 733 ND2 ASN A 45 -10.255 -7.388 3.256 1.00 52.32 N ATOM 0 H ASN A 45 -12.155 -2.761 3.316 1.00 54.35 H new ATOM 0 HA ASN A 45 -13.065 -5.043 4.946 1.00 13.43 H new ATOM 0 HB2 ASN A 45 -12.263 -5.405 2.594 1.00 4.00 H new ATOM 0 HB3 ASN A 45 -10.671 -4.865 3.090 1.00 4.00 H new ATOM 0 HD21 ASN A 45 -10.013 -8.351 3.491 1.00 52.32 H new ATOM 0 HD22 ASN A 45 -9.738 -6.895 2.528 1.00 52.32 H new ATOM 740 N ASN A 46 -10.700 -3.010 5.809 1.00 63.22 N ATOM 741 CA ASN A 46 -9.770 -2.586 6.925 1.00 52.34 C ATOM 742 C ASN A 46 -8.402 -3.269 6.802 1.00 3.31 C ATOM 743 O ASN A 46 -7.498 -3.011 7.577 1.00 50.44 O ATOM 744 CB ASN A 46 -10.438 -2.844 8.318 1.00 11.32 C ATOM 745 CG ASN A 46 -9.688 -2.276 9.527 1.00 1.21 C ATOM 746 OD1 ASN A 46 -9.923 -1.137 9.928 1.00 63.23 O ATOM 747 ND2 ASN A 46 -8.841 -3.058 10.139 1.00 3.41 N ATOM 0 H ASN A 46 -10.867 -2.276 5.120 1.00 63.22 H new ATOM 0 HA ASN A 46 -9.590 -1.514 6.839 1.00 52.34 H new ATOM 0 HB2 ASN A 46 -11.442 -2.420 8.304 1.00 11.32 H new ATOM 0 HB3 ASN A 46 -10.549 -3.920 8.454 1.00 11.32 H new ATOM 0 HD21 ASN A 46 -8.354 -2.729 10.973 1.00 3.41 H new ATOM 0 HD22 ASN A 46 -8.666 -3.998 9.784 1.00 3.41 H new ATOM 754 N ARG A 47 -8.248 -4.117 5.803 1.00 22.42 N ATOM 755 CA ARG A 47 -7.000 -4.771 5.568 1.00 21.12 C ATOM 756 C ARG A 47 -5.990 -3.848 5.014 1.00 61.43 C ATOM 757 O ARG A 47 -6.287 -2.974 4.192 1.00 40.43 O ATOM 758 CB ARG A 47 -7.146 -5.999 4.684 1.00 61.13 C ATOM 759 CG ARG A 47 -7.514 -7.275 5.417 1.00 51.22 C ATOM 760 CD ARG A 47 -8.666 -7.093 6.357 1.00 44.42 C ATOM 761 NE ARG A 47 -9.114 -8.356 6.947 1.00 32.23 N ATOM 762 CZ ARG A 47 -10.241 -8.519 7.665 1.00 34.23 C ATOM 763 NH1 ARG A 47 -11.066 -7.498 7.876 1.00 12.42 N ATOM 764 NH2 ARG A 47 -10.549 -9.714 8.149 1.00 32.22 N ATOM 0 H ARG A 47 -8.986 -4.363 5.143 1.00 22.42 H new ATOM 0 HA ARG A 47 -6.649 -5.110 6.543 1.00 21.12 H new ATOM 0 HB2 ARG A 47 -7.908 -5.798 3.931 1.00 61.13 H new ATOM 0 HB3 ARG A 47 -6.208 -6.160 4.153 1.00 61.13 H new ATOM 0 HG2 ARG A 47 -7.763 -8.047 4.690 1.00 51.22 H new ATOM 0 HG3 ARG A 47 -6.648 -7.630 5.975 1.00 51.22 H new ATOM 0 HD2 ARG A 47 -8.376 -6.407 7.153 1.00 44.42 H new ATOM 0 HD3 ARG A 47 -9.496 -6.630 5.824 1.00 44.42 H new ATOM 0 HE ARG A 47 -8.526 -9.177 6.803 1.00 32.23 H new ATOM 0 HH11 ARG A 47 -10.848 -6.578 7.492 1.00 12.42 H new ATOM 0 HH12 ARG A 47 -11.917 -7.634 8.422 1.00 12.42 H new ATOM 0 HH21 ARG A 47 -9.932 -10.508 7.977 1.00 32.22 H new ATOM 0 HH22 ARG A 47 -11.403 -9.839 8.693 1.00 32.22 H new ATOM 778 N GLN A 48 -4.830 -4.021 5.486 1.00 21.43 N ATOM 779 CA GLN A 48 -3.717 -3.298 5.059 1.00 2.00 C ATOM 780 C GLN A 48 -3.079 -4.078 3.920 1.00 72.51 C ATOM 781 O GLN A 48 -2.629 -5.215 4.110 1.00 33.03 O ATOM 782 CB GLN A 48 -2.750 -3.187 6.221 1.00 30.51 C ATOM 783 CG GLN A 48 -1.579 -2.334 5.944 1.00 3.00 C ATOM 784 CD GLN A 48 -0.564 -2.307 7.080 1.00 54.15 C ATOM 785 OE1 GLN A 48 0.126 -1.318 7.284 1.00 43.50 O ATOM 786 NE2 GLN A 48 -0.455 -3.380 7.807 1.00 20.44 N ATOM 0 H GLN A 48 -4.620 -4.703 6.215 1.00 21.43 H new ATOM 0 HA GLN A 48 -3.988 -2.298 4.721 1.00 2.00 H new ATOM 0 HB2 GLN A 48 -3.281 -2.789 7.086 1.00 30.51 H new ATOM 0 HB3 GLN A 48 -2.405 -4.185 6.490 1.00 30.51 H new ATOM 0 HG2 GLN A 48 -1.088 -2.688 5.037 1.00 3.00 H new ATOM 0 HG3 GLN A 48 -1.919 -1.317 5.747 1.00 3.00 H new ATOM 0 HE21 GLN A 48 -1.044 -4.190 7.613 1.00 20.44 H new ATOM 0 HE22 GLN A 48 0.220 -3.412 8.571 1.00 20.44 H new ATOM 795 N VAL A 49 -3.045 -3.492 2.769 1.00 12.30 N ATOM 796 CA VAL A 49 -2.495 -4.138 1.603 1.00 3.21 C ATOM 797 C VAL A 49 -1.411 -3.268 1.033 1.00 13.01 C ATOM 798 O VAL A 49 -1.298 -2.090 1.398 1.00 54.52 O ATOM 799 CB VAL A 49 -3.577 -4.414 0.502 1.00 31.23 C ATOM 800 CG1 VAL A 49 -4.690 -5.303 1.037 1.00 52.01 C ATOM 801 CG2 VAL A 49 -4.151 -3.114 -0.061 1.00 74.13 C ATOM 0 H VAL A 49 -3.396 -2.549 2.601 1.00 12.30 H new ATOM 0 HA VAL A 49 -2.098 -5.105 1.913 1.00 3.21 H new ATOM 0 HB VAL A 49 -3.081 -4.940 -0.313 1.00 31.23 H new ATOM 0 HG11 VAL A 49 -5.426 -5.477 0.252 1.00 52.01 H new ATOM 0 HG12 VAL A 49 -4.271 -6.256 1.360 1.00 52.01 H new ATOM 0 HG13 VAL A 49 -5.172 -4.813 1.883 1.00 52.01 H new ATOM 0 HG21 VAL A 49 -4.897 -3.345 -0.821 1.00 74.13 H new ATOM 0 HG22 VAL A 49 -4.616 -2.543 0.743 1.00 74.13 H new ATOM 0 HG23 VAL A 49 -3.349 -2.525 -0.507 1.00 74.13 H new ATOM 811 N CYS A 50 -0.616 -3.811 0.180 1.00 62.10 N ATOM 812 CA CYS A 50 0.405 -3.038 -0.438 1.00 51.24 C ATOM 813 C CYS A 50 -0.023 -2.683 -1.843 1.00 61.42 C ATOM 814 O CYS A 50 -0.889 -3.343 -2.419 1.00 34.04 O ATOM 815 CB CYS A 50 1.714 -3.779 -0.443 1.00 21.13 C ATOM 816 SG CYS A 50 2.235 -4.365 1.199 1.00 42.32 S ATOM 0 H CYS A 50 -0.652 -4.789 -0.107 1.00 62.10 H new ATOM 0 HA CYS A 50 0.555 -2.121 0.132 1.00 51.24 H new ATOM 0 HB2 CYS A 50 1.634 -4.634 -1.115 1.00 21.13 H new ATOM 0 HB3 CYS A 50 2.488 -3.127 -0.848 1.00 21.13 H new ATOM 821 N ILE A 51 0.555 -1.653 -2.393 1.00 2.11 N ATOM 822 CA ILE A 51 0.164 -1.172 -3.688 1.00 34.53 C ATOM 823 C ILE A 51 1.363 -1.051 -4.610 1.00 11.22 C ATOM 824 O ILE A 51 2.470 -0.709 -4.173 1.00 4.32 O ATOM 825 CB ILE A 51 -0.535 0.200 -3.581 1.00 24.12 C ATOM 826 CG1 ILE A 51 -1.669 0.127 -2.581 1.00 1.44 C ATOM 827 CG2 ILE A 51 -1.065 0.627 -4.923 1.00 13.24 C ATOM 828 CD1 ILE A 51 -2.517 1.378 -2.538 1.00 31.15 C ATOM 0 H ILE A 51 1.310 -1.123 -1.957 1.00 2.11 H new ATOM 0 HA ILE A 51 -0.534 -1.898 -4.105 1.00 34.53 H new ATOM 0 HB ILE A 51 0.195 0.935 -3.243 1.00 24.12 H new ATOM 0 HG12 ILE A 51 -2.304 -0.725 -2.825 1.00 1.44 H new ATOM 0 HG13 ILE A 51 -1.257 -0.057 -1.589 1.00 1.44 H new ATOM 0 HG21 ILE A 51 -1.555 1.596 -4.829 1.00 13.24 H new ATOM 0 HG22 ILE A 51 -0.241 0.704 -5.632 1.00 13.24 H new ATOM 0 HG23 ILE A 51 -1.784 -0.110 -5.281 1.00 13.24 H new ATOM 0 HD11 ILE A 51 -3.310 1.255 -1.800 1.00 31.15 H new ATOM 0 HD12 ILE A 51 -1.895 2.230 -2.264 1.00 31.15 H new ATOM 0 HD13 ILE A 51 -2.959 1.552 -3.519 1.00 31.15 H new ATOM 840 N ASP A 52 1.136 -1.366 -5.869 1.00 34.42 N ATOM 841 CA ASP A 52 2.147 -1.274 -6.899 1.00 41.52 C ATOM 842 C ASP A 52 2.097 0.095 -7.549 1.00 62.22 C ATOM 843 O ASP A 52 1.012 0.588 -7.886 1.00 75.32 O ATOM 844 CB ASP A 52 1.911 -2.351 -7.954 1.00 73.31 C ATOM 845 CG ASP A 52 2.898 -2.286 -9.112 1.00 14.24 C ATOM 846 OD1 ASP A 52 4.098 -2.593 -8.927 1.00 50.31 O ATOM 847 OD2 ASP A 52 2.478 -1.947 -10.224 1.00 42.41 O ATOM 0 H ASP A 52 0.233 -1.697 -6.208 1.00 34.42 H new ATOM 0 HA ASP A 52 3.128 -1.422 -6.448 1.00 41.52 H new ATOM 0 HB2 ASP A 52 1.978 -3.332 -7.483 1.00 73.31 H new ATOM 0 HB3 ASP A 52 0.898 -2.253 -8.343 1.00 73.31 H new ATOM 852 N PRO A 53 3.262 0.741 -7.727 1.00 2.10 N ATOM 853 CA PRO A 53 3.358 2.065 -8.339 1.00 34.34 C ATOM 854 C PRO A 53 2.803 2.132 -9.775 1.00 22.03 C ATOM 855 O PRO A 53 2.512 3.211 -10.267 1.00 75.24 O ATOM 856 CB PRO A 53 4.866 2.369 -8.336 1.00 32.22 C ATOM 857 CG PRO A 53 5.521 1.047 -8.147 1.00 61.55 C ATOM 858 CD PRO A 53 4.582 0.243 -7.312 1.00 2.40 C ATOM 0 HA PRO A 53 2.757 2.786 -7.785 1.00 34.34 H new ATOM 0 HB2 PRO A 53 5.177 2.834 -9.271 1.00 32.22 H new ATOM 0 HB3 PRO A 53 5.129 3.059 -7.534 1.00 32.22 H new ATOM 0 HG2 PRO A 53 5.705 0.562 -9.105 1.00 61.55 H new ATOM 0 HG3 PRO A 53 6.487 1.156 -7.654 1.00 61.55 H new ATOM 0 HD2 PRO A 53 4.688 -0.825 -7.500 1.00 2.40 H new ATOM 0 HD3 PRO A 53 4.755 0.398 -6.247 1.00 2.40 H new ATOM 866 N LYS A 54 2.627 0.983 -10.428 1.00 12.02 N ATOM 867 CA LYS A 54 2.143 0.964 -11.809 1.00 20.20 C ATOM 868 C LYS A 54 0.656 0.904 -11.911 1.00 72.44 C ATOM 869 O LYS A 54 0.100 0.635 -12.980 1.00 75.34 O ATOM 870 CB LYS A 54 2.835 -0.099 -12.645 1.00 35.44 C ATOM 871 CG LYS A 54 4.293 0.199 -12.813 1.00 24.41 C ATOM 872 CD LYS A 54 4.477 1.487 -13.593 1.00 13.44 C ATOM 873 CE LYS A 54 5.859 1.991 -13.454 1.00 33.35 C ATOM 874 NZ LYS A 54 6.054 3.243 -14.209 1.00 23.21 N ATOM 0 H LYS A 54 2.810 0.062 -10.029 1.00 12.02 H new ATOM 0 HA LYS A 54 2.422 1.926 -12.239 1.00 20.20 H new ATOM 0 HB2 LYS A 54 2.714 -1.073 -12.170 1.00 35.44 H new ATOM 0 HB3 LYS A 54 2.360 -0.160 -13.624 1.00 35.44 H new ATOM 0 HG2 LYS A 54 4.769 0.285 -11.836 1.00 24.41 H new ATOM 0 HG3 LYS A 54 4.782 -0.624 -13.334 1.00 24.41 H new ATOM 0 HD2 LYS A 54 4.252 1.315 -14.646 1.00 13.44 H new ATOM 0 HD3 LYS A 54 3.773 2.238 -13.235 1.00 13.44 H new ATOM 0 HE2 LYS A 54 6.082 2.161 -12.401 1.00 33.35 H new ATOM 0 HE3 LYS A 54 6.561 1.237 -13.810 1.00 33.35 H new ATOM 0 HZ1 LYS A 54 7.034 3.571 -14.091 1.00 23.21 H new ATOM 0 HZ2 LYS A 54 5.865 3.073 -15.217 1.00 23.21 H new ATOM 0 HZ3 LYS A 54 5.401 3.969 -13.852 1.00 23.21 H new ATOM 888 N LEU A 55 0.013 1.183 -10.830 1.00 43.02 N ATOM 889 CA LEU A 55 -1.387 1.379 -10.856 1.00 65.13 C ATOM 890 C LEU A 55 -1.624 2.779 -11.345 1.00 42.11 C ATOM 891 O LEU A 55 -0.919 3.712 -10.956 1.00 43.11 O ATOM 892 CB LEU A 55 -2.000 1.158 -9.503 1.00 55.15 C ATOM 893 CG LEU A 55 -2.197 -0.290 -9.060 1.00 24.31 C ATOM 894 CD1 LEU A 55 -2.764 -0.321 -7.672 1.00 50.44 C ATOM 895 CD2 LEU A 55 -3.158 -0.998 -9.990 1.00 62.24 C ATOM 0 H LEU A 55 0.444 1.280 -9.910 1.00 43.02 H new ATOM 0 HA LEU A 55 -1.861 0.656 -11.520 1.00 65.13 H new ATOM 0 HB2 LEU A 55 -1.375 1.657 -8.762 1.00 55.15 H new ATOM 0 HB3 LEU A 55 -2.971 1.653 -9.486 1.00 55.15 H new ATOM 0 HG LEU A 55 -1.230 -0.793 -9.083 1.00 24.31 H new ATOM 0 HD11 LEU A 55 -2.903 -1.356 -7.359 1.00 50.44 H new ATOM 0 HD12 LEU A 55 -2.077 0.176 -6.987 1.00 50.44 H new ATOM 0 HD13 LEU A 55 -3.724 0.194 -7.660 1.00 50.44 H new ATOM 0 HD21 LEU A 55 -3.289 -2.029 -9.662 1.00 62.24 H new ATOM 0 HD22 LEU A 55 -4.121 -0.488 -9.975 1.00 62.24 H new ATOM 0 HD23 LEU A 55 -2.757 -0.988 -11.004 1.00 62.24 H new ATOM 907 N LYS A 56 -2.582 2.942 -12.180 1.00 62.35 N ATOM 908 CA LYS A 56 -2.755 4.206 -12.831 1.00 24.25 C ATOM 909 C LYS A 56 -3.367 5.290 -11.970 1.00 13.10 C ATOM 910 O LYS A 56 -3.081 6.458 -12.174 1.00 61.43 O ATOM 911 CB LYS A 56 -3.340 4.064 -14.228 1.00 53.05 C ATOM 912 CG LYS A 56 -2.383 3.283 -15.124 1.00 71.51 C ATOM 913 CD LYS A 56 -2.861 3.128 -16.550 1.00 2.14 C ATOM 914 CE LYS A 56 -1.815 2.366 -17.355 1.00 11.12 C ATOM 915 NZ LYS A 56 -2.195 2.173 -18.769 1.00 0.02 N ATOM 0 H LYS A 56 -3.261 2.225 -12.435 1.00 62.35 H new ATOM 0 HA LYS A 56 -1.750 4.597 -12.989 1.00 24.25 H new ATOM 0 HB2 LYS A 56 -4.301 3.552 -14.177 1.00 53.05 H new ATOM 0 HB3 LYS A 56 -3.526 5.050 -14.654 1.00 53.05 H new ATOM 0 HG2 LYS A 56 -1.415 3.785 -15.129 1.00 71.51 H new ATOM 0 HG3 LYS A 56 -2.226 2.293 -14.695 1.00 71.51 H new ATOM 0 HD2 LYS A 56 -3.811 2.594 -16.571 1.00 2.14 H new ATOM 0 HD3 LYS A 56 -3.036 4.108 -16.995 1.00 2.14 H new ATOM 0 HE2 LYS A 56 -0.868 2.905 -17.310 1.00 11.12 H new ATOM 0 HE3 LYS A 56 -1.650 1.392 -16.894 1.00 11.12 H new ATOM 0 HZ1 LYS A 56 -1.444 1.649 -19.262 1.00 0.02 H new ATOM 0 HZ2 LYS A 56 -3.083 1.634 -18.819 1.00 0.02 H new ATOM 0 HZ3 LYS A 56 -2.326 3.100 -19.223 1.00 0.02 H new ATOM 929 N TRP A 57 -4.164 4.918 -10.965 1.00 13.15 N ATOM 930 CA TRP A 57 -4.659 5.941 -10.032 1.00 13.24 C ATOM 931 C TRP A 57 -3.487 6.394 -9.142 1.00 52.14 C ATOM 932 O TRP A 57 -3.468 7.508 -8.585 1.00 3.11 O ATOM 933 CB TRP A 57 -5.865 5.444 -9.183 1.00 43.14 C ATOM 934 CG TRP A 57 -5.574 4.357 -8.163 1.00 40.21 C ATOM 935 CD1 TRP A 57 -5.496 3.013 -8.373 1.00 35.11 C ATOM 936 CD2 TRP A 57 -5.363 4.541 -6.757 1.00 65.23 C ATOM 937 NE1 TRP A 57 -5.249 2.366 -7.202 1.00 54.13 N ATOM 938 CE2 TRP A 57 -5.164 3.270 -6.198 1.00 43.43 C ATOM 939 CE3 TRP A 57 -5.324 5.652 -5.922 1.00 32.14 C ATOM 940 CZ2 TRP A 57 -4.926 3.079 -4.847 1.00 53.14 C ATOM 941 CZ3 TRP A 57 -5.086 5.464 -4.574 1.00 31.33 C ATOM 942 CH2 TRP A 57 -4.892 4.185 -4.049 1.00 23.30 C ATOM 0 H TRP A 57 -4.471 3.963 -10.778 1.00 13.15 H new ATOM 0 HA TRP A 57 -5.038 6.787 -10.606 1.00 13.24 H new ATOM 0 HB2 TRP A 57 -6.288 6.300 -8.658 1.00 43.14 H new ATOM 0 HB3 TRP A 57 -6.633 5.076 -9.864 1.00 43.14 H new ATOM 0 HD1 TRP A 57 -5.613 2.530 -9.332 1.00 35.11 H new ATOM 0 HE1 TRP A 57 -5.144 1.357 -7.097 1.00 54.13 H new ATOM 0 HE3 TRP A 57 -5.477 6.644 -6.320 1.00 32.14 H new ATOM 0 HZ2 TRP A 57 -4.773 2.090 -4.440 1.00 53.14 H new ATOM 0 HZ3 TRP A 57 -5.049 6.320 -3.916 1.00 31.33 H new ATOM 0 HH2 TRP A 57 -4.711 4.069 -2.991 1.00 23.30 H new ATOM 953 N ILE A 58 -2.502 5.520 -9.063 1.00 51.13 N ATOM 954 CA ILE A 58 -1.288 5.751 -8.331 1.00 61.23 C ATOM 955 C ILE A 58 -0.387 6.707 -9.108 1.00 30.25 C ATOM 956 O ILE A 58 0.286 7.540 -8.520 1.00 51.14 O ATOM 957 CB ILE A 58 -0.568 4.404 -8.026 1.00 62.21 C ATOM 958 CG1 ILE A 58 -1.385 3.559 -7.053 1.00 30.45 C ATOM 959 CG2 ILE A 58 0.838 4.594 -7.512 1.00 33.24 C ATOM 960 CD1 ILE A 58 -1.581 4.203 -5.695 1.00 30.14 C ATOM 0 H ILE A 58 -2.532 4.609 -9.521 1.00 51.13 H new ATOM 0 HA ILE A 58 -1.529 6.215 -7.375 1.00 61.23 H new ATOM 0 HB ILE A 58 -0.488 3.874 -8.975 1.00 62.21 H new ATOM 0 HG12 ILE A 58 -2.362 3.358 -7.493 1.00 30.45 H new ATOM 0 HG13 ILE A 58 -0.891 2.596 -6.920 1.00 30.45 H new ATOM 0 HG21 ILE A 58 1.289 3.621 -7.317 1.00 33.24 H new ATOM 0 HG22 ILE A 58 1.429 5.125 -8.258 1.00 33.24 H new ATOM 0 HG23 ILE A 58 0.813 5.173 -6.589 1.00 33.24 H new ATOM 0 HD11 ILE A 58 -2.171 3.542 -5.060 1.00 30.14 H new ATOM 0 HD12 ILE A 58 -0.610 4.379 -5.232 1.00 30.14 H new ATOM 0 HD13 ILE A 58 -2.103 5.152 -5.814 1.00 30.14 H new ATOM 972 N GLN A 59 -0.396 6.601 -10.432 1.00 13.05 N ATOM 973 CA GLN A 59 0.347 7.543 -11.265 1.00 51.23 C ATOM 974 C GLN A 59 -0.119 8.964 -10.975 1.00 60.31 C ATOM 975 O GLN A 59 0.711 9.858 -10.712 1.00 50.34 O ATOM 976 CB GLN A 59 0.194 7.227 -12.743 1.00 62.12 C ATOM 977 CG GLN A 59 0.835 5.915 -13.195 1.00 3.24 C ATOM 978 CD GLN A 59 2.352 5.908 -13.025 1.00 5.44 C ATOM 979 OE1 GLN A 59 3.090 6.306 -13.918 1.00 4.12 O ATOM 980 NE2 GLN A 59 2.823 5.424 -11.911 1.00 11.52 N ATOM 0 H GLN A 59 -0.903 5.882 -10.948 1.00 13.05 H new ATOM 0 HA GLN A 59 1.405 7.451 -11.020 1.00 51.23 H new ATOM 0 HB2 GLN A 59 -0.869 7.196 -12.984 1.00 62.12 H new ATOM 0 HB3 GLN A 59 0.628 8.043 -13.320 1.00 62.12 H new ATOM 0 HG2 GLN A 59 0.406 5.091 -12.624 1.00 3.24 H new ATOM 0 HG3 GLN A 59 0.591 5.739 -14.242 1.00 3.24 H new ATOM 0 HE21 GLN A 59 2.184 5.100 -11.185 1.00 11.52 H new ATOM 0 HE22 GLN A 59 3.831 5.369 -11.765 1.00 11.52 H new ATOM 989 N GLU A 60 -1.444 9.168 -10.987 1.00 2.21 N ATOM 990 CA GLU A 60 -2.006 10.457 -10.613 1.00 34.05 C ATOM 991 C GLU A 60 -1.649 10.815 -9.186 1.00 65.12 C ATOM 992 O GLU A 60 -1.354 11.977 -8.903 1.00 34.21 O ATOM 993 CB GLU A 60 -3.529 10.565 -10.812 1.00 52.40 C ATOM 994 CG GLU A 60 -4.011 10.705 -12.255 1.00 51.35 C ATOM 995 CD GLU A 60 -3.775 9.503 -13.117 1.00 74.23 C ATOM 996 OE1 GLU A 60 -2.690 9.394 -13.717 1.00 23.33 O ATOM 997 OE2 GLU A 60 -4.698 8.677 -13.241 1.00 51.02 O ATOM 0 H GLU A 60 -2.132 8.462 -11.249 1.00 2.21 H new ATOM 0 HA GLU A 60 -1.553 11.172 -11.300 1.00 34.05 H new ATOM 0 HB2 GLU A 60 -3.995 9.680 -10.379 1.00 52.40 H new ATOM 0 HB3 GLU A 60 -3.889 11.424 -10.245 1.00 52.40 H new ATOM 0 HG2 GLU A 60 -5.079 10.924 -12.247 1.00 51.35 H new ATOM 0 HG3 GLU A 60 -3.513 11.562 -12.708 1.00 51.35 H new ATOM 1004 N TYR A 61 -1.669 9.816 -8.286 1.00 25.13 N ATOM 1005 CA TYR A 61 -1.305 10.042 -6.888 1.00 64.42 C ATOM 1006 C TYR A 61 0.106 10.610 -6.778 1.00 72.44 C ATOM 1007 O TYR A 61 0.304 11.639 -6.152 1.00 2.34 O ATOM 1008 CB TYR A 61 -1.418 8.763 -6.035 1.00 43.31 C ATOM 1009 CG TYR A 61 -1.149 9.016 -4.560 1.00 22.45 C ATOM 1010 CD1 TYR A 61 -2.146 9.508 -3.742 1.00 42.30 C ATOM 1011 CD2 TYR A 61 0.106 8.795 -3.996 1.00 54.51 C ATOM 1012 CE1 TYR A 61 -1.914 9.766 -2.413 1.00 33.33 C ATOM 1013 CE2 TYR A 61 0.346 9.058 -2.663 1.00 54.52 C ATOM 1014 CZ TYR A 61 -0.673 9.543 -1.875 1.00 75.11 C ATOM 1015 OH TYR A 61 -0.447 9.821 -0.541 1.00 41.31 O ATOM 0 H TYR A 61 -1.932 8.855 -8.505 1.00 25.13 H new ATOM 0 HA TYR A 61 -2.019 10.767 -6.496 1.00 64.42 H new ATOM 0 HB2 TYR A 61 -2.416 8.341 -6.151 1.00 43.31 H new ATOM 0 HB3 TYR A 61 -0.713 8.020 -6.407 1.00 43.31 H new ATOM 0 HD1 TYR A 61 -3.127 9.694 -4.155 1.00 42.30 H new ATOM 0 HD2 TYR A 61 0.905 8.411 -4.613 1.00 54.51 H new ATOM 0 HE1 TYR A 61 -2.711 10.145 -1.791 1.00 33.33 H new ATOM 0 HE2 TYR A 61 1.325 8.885 -2.241 1.00 54.52 H new ATOM 0 HH TYR A 61 0.482 9.607 -0.315 1.00 41.31 H new ATOM 1025 N LEU A 62 1.076 9.952 -7.411 1.00 41.31 N ATOM 1026 CA LEU A 62 2.465 10.418 -7.353 1.00 34.40 C ATOM 1027 C LEU A 62 2.625 11.775 -7.995 1.00 23.14 C ATOM 1028 O LEU A 62 3.372 12.615 -7.501 1.00 43.10 O ATOM 1029 CB LEU A 62 3.466 9.407 -7.944 1.00 51.53 C ATOM 1030 CG LEU A 62 3.880 8.215 -7.050 1.00 13.40 C ATOM 1031 CD1 LEU A 62 2.718 7.342 -6.664 1.00 42.51 C ATOM 1032 CD2 LEU A 62 4.959 7.406 -7.720 1.00 13.31 C ATOM 0 H LEU A 62 0.932 9.106 -7.963 1.00 41.31 H new ATOM 0 HA LEU A 62 2.704 10.512 -6.294 1.00 34.40 H new ATOM 0 HB2 LEU A 62 3.038 9.007 -8.863 1.00 51.53 H new ATOM 0 HB3 LEU A 62 4.369 9.950 -8.222 1.00 51.53 H new ATOM 0 HG LEU A 62 4.272 8.635 -6.123 1.00 13.40 H new ATOM 0 HD11 LEU A 62 3.071 6.523 -6.037 1.00 42.51 H new ATOM 0 HD12 LEU A 62 1.987 7.933 -6.112 1.00 42.51 H new ATOM 0 HD13 LEU A 62 2.253 6.937 -7.563 1.00 42.51 H new ATOM 0 HD21 LEU A 62 5.239 6.571 -7.078 1.00 13.31 H new ATOM 0 HD22 LEU A 62 4.589 7.024 -8.672 1.00 13.31 H new ATOM 0 HD23 LEU A 62 5.830 8.037 -7.896 1.00 13.31 H new ATOM 1044 N GLU A 63 1.901 11.995 -9.073 1.00 13.24 N ATOM 1045 CA GLU A 63 1.934 13.243 -9.773 1.00 25.22 C ATOM 1046 C GLU A 63 1.427 14.385 -8.875 1.00 1.12 C ATOM 1047 O GLU A 63 2.106 15.411 -8.712 1.00 60.24 O ATOM 1048 CB GLU A 63 1.089 13.118 -11.029 1.00 72.14 C ATOM 1049 CG GLU A 63 0.996 14.371 -11.841 1.00 43.54 C ATOM 1050 CD GLU A 63 0.162 14.177 -13.067 1.00 53.14 C ATOM 1051 OE1 GLU A 63 -1.078 14.173 -12.955 1.00 43.44 O ATOM 1052 OE2 GLU A 63 0.735 14.022 -14.163 1.00 3.23 O ATOM 0 H GLU A 63 1.273 11.304 -9.483 1.00 13.24 H new ATOM 0 HA GLU A 63 2.960 13.482 -10.051 1.00 25.22 H new ATOM 0 HB2 GLU A 63 1.503 12.326 -11.653 1.00 72.14 H new ATOM 0 HB3 GLU A 63 0.083 12.808 -10.746 1.00 72.14 H new ATOM 0 HG2 GLU A 63 0.568 15.168 -11.232 1.00 43.54 H new ATOM 0 HG3 GLU A 63 1.997 14.693 -12.129 1.00 43.54 H new ATOM 1059 N LYS A 64 0.269 14.192 -8.256 1.00 43.22 N ATOM 1060 CA LYS A 64 -0.283 15.229 -7.408 1.00 63.13 C ATOM 1061 C LYS A 64 0.476 15.359 -6.104 1.00 51.15 C ATOM 1062 O LYS A 64 0.571 16.428 -5.561 1.00 10.53 O ATOM 1063 CB LYS A 64 -1.789 15.082 -7.180 1.00 64.01 C ATOM 1064 CG LYS A 64 -2.236 13.803 -6.515 1.00 34.20 C ATOM 1065 CD LYS A 64 -3.733 13.819 -6.356 1.00 24.31 C ATOM 1066 CE LYS A 64 -4.262 12.528 -5.758 1.00 74.54 C ATOM 1067 NZ LYS A 64 -5.728 12.569 -5.594 1.00 1.13 N ATOM 0 H LYS A 64 -0.293 13.344 -8.325 1.00 43.22 H new ATOM 0 HA LYS A 64 -0.152 16.163 -7.954 1.00 63.13 H new ATOM 0 HB2 LYS A 64 -2.128 15.921 -6.573 1.00 64.01 H new ATOM 0 HB3 LYS A 64 -2.292 15.162 -8.144 1.00 64.01 H new ATOM 0 HG2 LYS A 64 -1.932 12.944 -7.113 1.00 34.20 H new ATOM 0 HG3 LYS A 64 -1.757 13.700 -5.541 1.00 34.20 H new ATOM 0 HD2 LYS A 64 -4.020 14.656 -5.719 1.00 24.31 H new ATOM 0 HD3 LYS A 64 -4.198 13.984 -7.328 1.00 24.31 H new ATOM 0 HE2 LYS A 64 -3.990 11.690 -6.400 1.00 74.54 H new ATOM 0 HE3 LYS A 64 -3.791 12.354 -4.790 1.00 74.54 H new ATOM 0 HZ1 LYS A 64 -6.057 11.672 -5.183 1.00 1.13 H new ATOM 0 HZ2 LYS A 64 -5.985 13.354 -4.962 1.00 1.13 H new ATOM 0 HZ3 LYS A 64 -6.177 12.710 -6.521 1.00 1.13 H new ATOM 1081 N ALA A 65 1.040 14.267 -5.619 1.00 34.42 N ATOM 1082 CA ALA A 65 1.828 14.307 -4.393 1.00 12.20 C ATOM 1083 C ALA A 65 3.126 15.078 -4.614 1.00 41.20 C ATOM 1084 O ALA A 65 3.601 15.794 -3.724 1.00 63.41 O ATOM 1085 CB ALA A 65 2.121 12.903 -3.884 1.00 12.11 C ATOM 0 H ALA A 65 0.970 13.345 -6.050 1.00 34.42 H new ATOM 0 HA ALA A 65 1.242 14.825 -3.634 1.00 12.20 H new ATOM 0 HB1 ALA A 65 2.710 12.963 -2.969 1.00 12.11 H new ATOM 0 HB2 ALA A 65 1.183 12.387 -3.679 1.00 12.11 H new ATOM 0 HB3 ALA A 65 2.680 12.351 -4.640 1.00 12.11 H new ATOM 1091 N LEU A 66 3.686 14.944 -5.803 1.00 50.33 N ATOM 1092 CA LEU A 66 4.905 15.616 -6.157 1.00 51.33 C ATOM 1093 C LEU A 66 4.642 17.083 -6.516 1.00 13.23 C ATOM 1094 O LEU A 66 5.491 17.955 -6.287 1.00 31.41 O ATOM 1095 CB LEU A 66 5.562 14.887 -7.336 1.00 45.42 C ATOM 1096 CG LEU A 66 6.853 15.484 -7.880 1.00 45.50 C ATOM 1097 CD1 LEU A 66 7.959 15.471 -6.829 1.00 75.04 C ATOM 1098 CD2 LEU A 66 7.290 14.765 -9.148 1.00 24.32 C ATOM 0 H LEU A 66 3.300 14.362 -6.547 1.00 50.33 H new ATOM 0 HA LEU A 66 5.577 15.600 -5.299 1.00 51.33 H new ATOM 0 HB2 LEU A 66 5.765 13.861 -7.030 1.00 45.42 H new ATOM 0 HB3 LEU A 66 4.840 14.840 -8.151 1.00 45.42 H new ATOM 0 HG LEU A 66 6.657 16.526 -8.134 1.00 45.50 H new ATOM 0 HD11 LEU A 66 8.866 15.904 -7.250 1.00 75.04 H new ATOM 0 HD12 LEU A 66 7.646 16.055 -5.964 1.00 75.04 H new ATOM 0 HD13 LEU A 66 8.156 14.444 -6.521 1.00 75.04 H new ATOM 0 HD21 LEU A 66 8.214 15.209 -9.518 1.00 24.32 H new ATOM 0 HD22 LEU A 66 7.456 13.710 -8.929 1.00 24.32 H new ATOM 0 HD23 LEU A 66 6.513 14.860 -9.906 1.00 24.32 H new ATOM 1110 N ASN A 67 3.484 17.360 -7.074 1.00 1.14 N ATOM 1111 CA ASN A 67 3.170 18.719 -7.488 1.00 63.50 C ATOM 1112 C ASN A 67 2.434 19.530 -6.420 1.00 55.05 C ATOM 1113 O ASN A 67 2.818 20.664 -6.131 1.00 54.34 O ATOM 1114 CB ASN A 67 2.376 18.731 -8.791 1.00 11.12 C ATOM 1115 CG ASN A 67 2.056 20.143 -9.257 1.00 61.12 C ATOM 1116 OD1 ASN A 67 1.026 20.711 -8.898 1.00 60.34 O ATOM 1117 ND2 ASN A 67 2.916 20.706 -10.060 1.00 2.15 N ATOM 0 H ASN A 67 2.749 16.675 -7.252 1.00 1.14 H new ATOM 0 HA ASN A 67 4.133 19.204 -7.646 1.00 63.50 H new ATOM 0 HB2 ASN A 67 2.944 18.215 -9.565 1.00 11.12 H new ATOM 0 HB3 ASN A 67 1.448 18.177 -8.654 1.00 11.12 H new ATOM 0 HD21 ASN A 67 2.745 21.648 -10.411 1.00 2.15 H new ATOM 0 HD22 ASN A 67 3.760 20.204 -10.336 1.00 2.15 H new ATOM 1124 N LYS A 68 1.409 18.967 -5.832 1.00 54.33 N ATOM 1125 CA LYS A 68 0.570 19.703 -4.914 1.00 71.23 C ATOM 1126 C LYS A 68 0.195 18.817 -3.717 1.00 1.03 C ATOM 1127 O LYS A 68 1.037 18.657 -2.806 1.00 38.05 O ATOM 1128 CB LYS A 68 -0.686 20.168 -5.680 1.00 34.54 C ATOM 1129 CG LYS A 68 -1.654 21.035 -4.900 1.00 73.21 C ATOM 1130 CD LYS A 68 -2.822 21.440 -5.776 1.00 74.41 C ATOM 1131 CE LYS A 68 -3.805 22.312 -5.029 1.00 1.34 C ATOM 1132 NZ LYS A 68 -4.912 22.756 -5.898 1.00 33.54 N ATOM 1133 OXT LYS A 68 -0.931 18.276 -3.677 1.00 38.05 O ATOM 0 H LYS A 68 1.132 17.995 -5.972 1.00 54.33 H new ATOM 0 HA LYS A 68 1.099 20.572 -4.524 1.00 71.23 H new ATOM 0 HB2 LYS A 68 -0.365 20.720 -6.564 1.00 34.54 H new ATOM 0 HB3 LYS A 68 -1.221 19.286 -6.032 1.00 34.54 H new ATOM 0 HG2 LYS A 68 -2.017 20.492 -4.027 1.00 73.21 H new ATOM 0 HG3 LYS A 68 -1.141 21.924 -4.532 1.00 73.21 H new ATOM 0 HD2 LYS A 68 -2.452 21.975 -6.651 1.00 74.41 H new ATOM 0 HD3 LYS A 68 -3.331 20.547 -6.140 1.00 74.41 H new ATOM 0 HE2 LYS A 68 -4.208 21.760 -4.180 1.00 1.34 H new ATOM 0 HE3 LYS A 68 -3.287 23.182 -4.627 1.00 1.34 H new ATOM 0 HZ1 LYS A 68 -5.566 23.352 -5.351 1.00 33.54 H new ATOM 0 HZ2 LYS A 68 -4.529 23.304 -6.695 1.00 33.54 H new ATOM 0 HZ3 LYS A 68 -5.422 21.926 -6.262 1.00 33.54 H new TER 1147 LYS A 68