USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 539 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 85 THR OG1 : rot -150:sc= -1.94 USER MOD Set 1.2: A 88 GLN : amide:sc= 0 K(o=-1.9,f=-3.4!) USER MOD Set 2.1: A 65 TYR OH : rot 180:sc= -2.41! USER MOD Set 2.2: A 69 LYS NZ :NH3+ 155:sc= -0.4! (180deg=0.133) USER MOD Single : A 40 THR OG1 : rot -33:sc= 0.181 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.13 X(o=0.13,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.845) USER MOD Single : A 47 ASN : amide:sc= -1.54! C(o=-1.5!,f=-4.9!) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc=-0.00212 (180deg=-0.196) USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0664 (180deg=-0.486) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 80:sc= 0.014 USER MOD Single : A 61 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 66 SER OG : rot 180:sc= -0.158 USER MOD Single : A 70 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.4!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.136 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.923 K(o=-0.92,f=-1.5) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.191) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.0774 (180deg=-0.439) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.7!) USER MOD Single : A 103 ASN : amide:sc= -1.57! C(o=-1.6!,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.5! C(o=-5.5!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 40 -51.051 -6.797 -4.283 1.00 0.00 N ATOM 2 CA THR A 40 -51.425 -6.601 -2.855 1.00 0.00 C ATOM 3 C THR A 40 -50.706 -5.373 -2.306 1.00 0.00 C ATOM 4 O THR A 40 -49.879 -4.769 -2.990 1.00 0.00 O ATOM 5 CB THR A 40 -51.025 -7.842 -2.052 1.00 0.00 C ATOM 6 OG1 THR A 40 -49.640 -8.102 -2.243 1.00 0.00 O ATOM 7 CG2 THR A 40 -51.841 -9.043 -2.528 1.00 0.00 C ATOM 0 HA THR A 40 -52.502 -6.451 -2.773 1.00 0.00 H new ATOM 0 HB THR A 40 -51.220 -7.669 -0.994 1.00 0.00 H new ATOM 0 HG1 THR A 40 -49.380 -7.838 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 40 -51.556 -9.926 -1.956 1.00 0.00 H new ATOM 0 HG22 THR A 40 -52.902 -8.843 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 40 -51.647 -9.218 -3.586 1.00 0.00 H new ATOM 14 N LYS A 41 -51.033 -5.004 -1.072 1.00 0.00 N ATOM 15 CA LYS A 41 -50.417 -3.840 -0.445 1.00 0.00 C ATOM 16 C LYS A 41 -48.895 -3.925 -0.517 1.00 0.00 C ATOM 17 O LYS A 41 -48.323 -5.013 -0.566 1.00 0.00 O ATOM 18 CB LYS A 41 -50.864 -3.737 1.016 1.00 0.00 C ATOM 19 CG LYS A 41 -50.408 -4.978 1.791 1.00 0.00 C ATOM 20 CD LYS A 41 -50.887 -4.880 3.242 1.00 0.00 C ATOM 21 CE LYS A 41 -50.430 -6.119 4.014 1.00 0.00 C ATOM 22 NZ LYS A 41 -50.891 -6.021 5.428 1.00 0.00 N ATOM 0 H LYS A 41 -51.716 -5.490 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 41 -50.738 -2.949 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -50.445 -2.839 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -51.949 -3.644 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -50.809 -5.878 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -49.321 -5.060 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -50.487 -3.980 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -51.974 -4.799 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -50.834 -7.019 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -49.344 -6.202 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -50.581 -6.863 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -50.486 -5.170 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -51.929 -5.962 5.451 1.00 0.00 H new ATOM 36 N GLN A 42 -48.247 -2.764 -0.526 1.00 0.00 N ATOM 37 CA GLN A 42 -46.792 -2.704 -0.592 1.00 0.00 C ATOM 38 C GLN A 42 -46.201 -2.556 0.806 1.00 0.00 C ATOM 39 O GLN A 42 -46.920 -2.273 1.764 1.00 0.00 O ATOM 40 CB GLN A 42 -46.355 -1.518 -1.459 1.00 0.00 C ATOM 41 CG GLN A 42 -46.947 -1.651 -2.867 1.00 0.00 C ATOM 42 CD GLN A 42 -46.462 -2.937 -3.528 1.00 0.00 C ATOM 43 OE1 GLN A 42 -45.256 -3.147 -3.667 1.00 0.00 O ATOM 44 NE2 GLN A 42 -47.332 -3.815 -3.944 1.00 0.00 N ATOM 0 H GLN A 42 -48.706 -1.854 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 42 -46.428 -3.631 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -46.684 -0.584 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -45.267 -1.479 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -48.036 -1.651 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -46.658 -0.792 -3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -48.330 -3.639 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -47.015 -4.678 -4.386 1.00 0.00 H new ATOM 53 N LYS A 43 -44.890 -2.755 0.912 1.00 0.00 N ATOM 54 CA LYS A 43 -44.207 -2.645 2.199 1.00 0.00 C ATOM 55 C LYS A 43 -44.776 -3.655 3.191 1.00 0.00 C ATOM 56 O LYS A 43 -45.379 -3.282 4.198 1.00 0.00 O ATOM 57 CB LYS A 43 -44.349 -1.225 2.767 1.00 0.00 C ATOM 58 CG LYS A 43 -43.843 -0.190 1.750 1.00 0.00 C ATOM 59 CD LYS A 43 -42.313 -0.110 1.792 1.00 0.00 C ATOM 60 CE LYS A 43 -41.839 1.018 0.872 1.00 0.00 C ATOM 61 NZ LYS A 43 -42.366 2.318 1.372 1.00 0.00 N ATOM 0 H LYS A 43 -44.282 -2.992 0.128 1.00 0.00 H new ATOM 0 HA LYS A 43 -43.150 -2.857 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -45.393 -1.026 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -43.784 -1.139 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -44.173 -0.463 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -44.272 0.787 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -41.975 0.071 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -41.879 -1.059 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -40.750 1.043 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -42.184 0.841 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -41.767 3.093 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -43.339 2.452 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -42.360 2.318 2.412 1.00 0.00 H new ATOM 75 N GLU A 44 -44.577 -4.935 2.897 1.00 0.00 N ATOM 76 CA GLU A 44 -45.068 -5.999 3.763 1.00 0.00 C ATOM 77 C GLU A 44 -44.401 -5.913 5.132 1.00 0.00 C ATOM 78 O GLU A 44 -43.394 -5.224 5.299 1.00 0.00 O ATOM 79 CB GLU A 44 -44.780 -7.367 3.137 1.00 0.00 C ATOM 80 CG GLU A 44 -45.518 -7.494 1.798 1.00 0.00 C ATOM 81 CD GLU A 44 -44.661 -6.940 0.662 1.00 0.00 C ATOM 82 OE1 GLU A 44 -43.651 -6.319 0.948 1.00 0.00 O ATOM 83 OE2 GLU A 44 -45.030 -7.148 -0.483 1.00 0.00 O ATOM 0 H GLU A 44 -44.080 -5.260 2.068 1.00 0.00 H new ATOM 0 HA GLU A 44 -46.145 -5.880 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -43.708 -7.488 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -45.097 -8.160 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -45.757 -8.540 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -46.464 -6.955 1.845 1.00 0.00 H new ATOM 90 N ALA A 45 -44.975 -6.603 6.112 1.00 0.00 N ATOM 91 CA ALA A 45 -44.431 -6.583 7.465 1.00 0.00 C ATOM 92 C ALA A 45 -42.999 -7.109 7.484 1.00 0.00 C ATOM 93 O ALA A 45 -42.146 -6.567 8.186 1.00 0.00 O ATOM 94 CB ALA A 45 -45.301 -7.439 8.389 1.00 0.00 C ATOM 0 H ALA A 45 -45.809 -7.178 5.997 1.00 0.00 H new ATOM 0 HA ALA A 45 -44.428 -5.551 7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -44.889 -7.420 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -46.316 -7.042 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -45.318 -8.466 8.024 1.00 0.00 H new ATOM 100 N VAL A 46 -42.741 -8.159 6.707 1.00 0.00 N ATOM 101 CA VAL A 46 -41.404 -8.743 6.641 1.00 0.00 C ATOM 102 C VAL A 46 -40.840 -8.624 5.229 1.00 0.00 C ATOM 103 O VAL A 46 -41.459 -9.070 4.263 1.00 0.00 O ATOM 104 CB VAL A 46 -41.460 -10.217 7.045 1.00 0.00 C ATOM 105 CG1 VAL A 46 -40.061 -10.827 6.948 1.00 0.00 C ATOM 106 CG2 VAL A 46 -41.966 -10.332 8.485 1.00 0.00 C ATOM 0 H VAL A 46 -43.435 -8.620 6.118 1.00 0.00 H new ATOM 0 HA VAL A 46 -40.755 -8.201 7.329 1.00 0.00 H new ATOM 0 HB VAL A 46 -42.136 -10.750 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -40.101 -11.877 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -39.699 -10.745 5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -39.384 -10.294 7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -42.006 -11.382 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -41.289 -9.798 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -42.963 -9.898 8.556 1.00 0.00 H new ATOM 116 N ASN A 47 -39.662 -8.018 5.117 1.00 0.00 N ATOM 117 CA ASN A 47 -39.025 -7.843 3.817 1.00 0.00 C ATOM 118 C ASN A 47 -38.217 -9.080 3.435 1.00 0.00 C ATOM 119 O ASN A 47 -38.148 -10.048 4.193 1.00 0.00 O ATOM 120 CB ASN A 47 -38.110 -6.617 3.848 1.00 0.00 C ATOM 121 CG ASN A 47 -36.954 -6.845 4.817 1.00 0.00 C ATOM 122 OD1 ASN A 47 -36.738 -7.966 5.277 1.00 0.00 O ATOM 123 ND2 ASN A 47 -36.194 -5.841 5.160 1.00 0.00 N ATOM 0 H ASN A 47 -39.133 -7.643 5.904 1.00 0.00 H new ATOM 0 HA ASN A 47 -39.805 -7.697 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -37.722 -6.418 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -38.679 -5.738 4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -35.421 -5.985 5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -36.373 -4.912 4.779 1.00 0.00 H new ATOM 130 N ASP A 48 -37.608 -9.037 2.255 1.00 0.00 N ATOM 131 CA ASP A 48 -36.803 -10.154 1.774 1.00 0.00 C ATOM 132 C ASP A 48 -36.097 -9.778 0.474 1.00 0.00 C ATOM 133 O ASP A 48 -34.881 -9.922 0.351 1.00 0.00 O ATOM 134 CB ASP A 48 -37.694 -11.377 1.540 1.00 0.00 C ATOM 135 CG ASP A 48 -37.374 -12.466 2.559 1.00 0.00 C ATOM 136 OD1 ASP A 48 -37.108 -12.126 3.701 1.00 0.00 O ATOM 137 OD2 ASP A 48 -37.402 -13.627 2.183 1.00 0.00 O ATOM 0 H ASP A 48 -37.656 -8.244 1.616 1.00 0.00 H new ATOM 0 HA ASP A 48 -36.053 -10.393 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -38.743 -11.092 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -37.543 -11.758 0.530 1.00 0.00 H new ATOM 142 N LYS A 49 -36.873 -9.295 -0.489 1.00 0.00 N ATOM 143 CA LYS A 49 -36.323 -8.895 -1.780 1.00 0.00 C ATOM 144 C LYS A 49 -35.322 -7.757 -1.593 1.00 0.00 C ATOM 145 O LYS A 49 -34.282 -7.717 -2.250 1.00 0.00 O ATOM 146 CB LYS A 49 -37.459 -8.445 -2.711 1.00 0.00 C ATOM 147 CG LYS A 49 -36.933 -8.203 -4.136 1.00 0.00 C ATOM 148 CD LYS A 49 -36.893 -9.523 -4.913 1.00 0.00 C ATOM 149 CE LYS A 49 -36.428 -9.259 -6.347 1.00 0.00 C ATOM 150 NZ LYS A 49 -34.985 -8.878 -6.339 1.00 0.00 N ATOM 0 H LYS A 49 -37.882 -9.171 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 49 -35.809 -9.746 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -38.241 -9.204 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -37.911 -7.531 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -37.573 -7.487 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -35.935 -7.766 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -36.217 -10.225 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -37.881 -9.984 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -36.577 -10.149 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -37.023 -8.462 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -34.607 -8.929 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -34.884 -7.908 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -34.457 -9.531 -5.726 1.00 0.00 H new ATOM 164 N GLY A 50 -35.649 -6.834 -0.696 1.00 0.00 N ATOM 165 CA GLY A 50 -34.776 -5.695 -0.431 1.00 0.00 C ATOM 166 C GLY A 50 -35.033 -4.568 -1.425 1.00 0.00 C ATOM 167 O GLY A 50 -34.381 -3.525 -1.377 1.00 0.00 O ATOM 0 H GLY A 50 -36.506 -6.850 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -34.941 -5.334 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -33.734 -6.009 -0.493 1.00 0.00 H new ATOM 171 N LYS A 51 -35.994 -4.780 -2.318 1.00 0.00 N ATOM 172 CA LYS A 51 -36.336 -3.767 -3.311 1.00 0.00 C ATOM 173 C LYS A 51 -36.814 -2.500 -2.609 1.00 0.00 C ATOM 174 O LYS A 51 -36.451 -1.387 -2.992 1.00 0.00 O ATOM 175 CB LYS A 51 -37.433 -4.296 -4.241 1.00 0.00 C ATOM 176 CG LYS A 51 -37.764 -3.244 -5.305 1.00 0.00 C ATOM 177 CD LYS A 51 -38.822 -3.803 -6.259 1.00 0.00 C ATOM 178 CE LYS A 51 -39.201 -2.734 -7.287 1.00 0.00 C ATOM 179 NZ LYS A 51 -38.004 -2.383 -8.104 1.00 0.00 N ATOM 0 H LYS A 51 -36.546 -5.636 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 51 -35.452 -3.535 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -37.104 -5.219 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.326 -4.537 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -38.130 -2.334 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -36.865 -2.975 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -38.438 -4.689 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -39.704 -4.113 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -40.000 -3.101 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -39.582 -1.847 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -38.307 -1.905 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -37.385 -1.749 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -37.483 -3.250 -8.347 1.00 0.00 H new ATOM 193 N ALA A 52 -37.626 -2.683 -1.574 1.00 0.00 N ATOM 194 CA ALA A 52 -38.154 -1.559 -0.809 1.00 0.00 C ATOM 195 C ALA A 52 -37.015 -0.764 -0.178 1.00 0.00 C ATOM 196 O ALA A 52 -37.069 0.465 -0.105 1.00 0.00 O ATOM 197 CB ALA A 52 -39.091 -2.068 0.288 1.00 0.00 C ATOM 0 H ALA A 52 -37.933 -3.598 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 52 -38.708 -0.909 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -39.481 -1.222 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -39.919 -2.614 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -38.542 -2.731 0.957 1.00 0.00 H new ATOM 203 N ALA A 53 -35.988 -1.472 0.281 1.00 0.00 N ATOM 204 CA ALA A 53 -34.845 -0.821 0.912 1.00 0.00 C ATOM 205 C ALA A 53 -34.255 0.240 -0.012 1.00 0.00 C ATOM 206 O ALA A 53 -34.231 0.075 -1.232 1.00 0.00 O ATOM 207 CB ALA A 53 -33.774 -1.859 1.247 1.00 0.00 C ATOM 0 H ALA A 53 -35.923 -2.489 0.229 1.00 0.00 H new ATOM 0 HA ALA A 53 -35.185 -0.340 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -32.924 -1.366 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -34.187 -2.601 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -33.446 -2.352 0.332 1.00 0.00 H new ATOM 213 N VAL A 54 -33.795 1.336 0.583 1.00 0.00 N ATOM 214 CA VAL A 54 -33.218 2.434 -0.184 1.00 0.00 C ATOM 215 C VAL A 54 -31.869 2.037 -0.779 1.00 0.00 C ATOM 216 O VAL A 54 -31.027 1.441 -0.107 1.00 0.00 O ATOM 217 CB VAL A 54 -33.044 3.662 0.711 1.00 0.00 C ATOM 218 CG1 VAL A 54 -32.376 4.785 -0.085 1.00 0.00 C ATOM 219 CG2 VAL A 54 -34.414 4.132 1.201 1.00 0.00 C ATOM 0 H VAL A 54 -33.810 1.487 1.592 1.00 0.00 H new ATOM 0 HA VAL A 54 -33.899 2.672 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 54 -32.420 3.402 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -32.252 5.660 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -31.400 4.451 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -33.000 5.045 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -34.292 5.007 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -35.037 4.391 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -34.891 3.333 1.769 1.00 0.00 H new ATOM 229 N VAL A 55 -31.679 2.376 -2.051 1.00 0.00 N ATOM 230 CA VAL A 55 -30.437 2.063 -2.754 1.00 0.00 C ATOM 231 C VAL A 55 -29.241 2.745 -2.093 1.00 0.00 C ATOM 232 O VAL A 55 -28.161 2.163 -1.996 1.00 0.00 O ATOM 233 CB VAL A 55 -30.541 2.513 -4.213 1.00 0.00 C ATOM 234 CG1 VAL A 55 -29.169 2.401 -4.879 1.00 0.00 C ATOM 235 CG2 VAL A 55 -31.539 1.621 -4.954 1.00 0.00 C ATOM 0 H VAL A 55 -32.370 2.868 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 55 -30.285 0.985 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 55 -30.882 3.548 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -29.242 2.721 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -28.456 3.036 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -28.830 1.366 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -31.612 1.942 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -31.199 0.586 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -32.518 1.698 -4.480 1.00 0.00 H new ATOM 245 N LYS A 56 -29.432 3.986 -1.658 1.00 0.00 N ATOM 246 CA LYS A 56 -28.350 4.740 -1.028 1.00 0.00 C ATOM 247 C LYS A 56 -27.830 3.995 0.201 1.00 0.00 C ATOM 248 O LYS A 56 -26.628 3.968 0.453 1.00 0.00 O ATOM 249 CB LYS A 56 -28.859 6.131 -0.612 1.00 0.00 C ATOM 250 CG LYS A 56 -27.716 7.011 -0.067 1.00 0.00 C ATOM 251 CD LYS A 56 -26.823 7.507 -1.214 1.00 0.00 C ATOM 252 CE LYS A 56 -25.854 8.563 -0.681 1.00 0.00 C ATOM 253 NZ LYS A 56 -25.041 9.102 -1.808 1.00 0.00 N ATOM 0 H LYS A 56 -30.317 4.489 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 56 -27.536 4.850 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -29.321 6.622 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -29.632 6.024 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.131 7.862 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.119 6.442 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.269 6.673 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.436 7.929 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -26.407 9.369 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -25.202 8.126 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -24.381 9.821 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -24.504 8.329 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -25.670 9.533 -2.515 1.00 0.00 H new ATOM 267 N VAL A 57 -28.742 3.396 0.960 1.00 0.00 N ATOM 268 CA VAL A 57 -28.365 2.655 2.163 1.00 0.00 C ATOM 269 C VAL A 57 -27.431 1.493 1.825 1.00 0.00 C ATOM 270 O VAL A 57 -26.460 1.237 2.536 1.00 0.00 O ATOM 271 CB VAL A 57 -29.619 2.117 2.855 1.00 0.00 C ATOM 272 CG1 VAL A 57 -29.215 1.155 3.972 1.00 0.00 C ATOM 273 CG2 VAL A 57 -30.412 3.282 3.450 1.00 0.00 C ATOM 0 H VAL A 57 -29.743 3.408 0.766 1.00 0.00 H new ATOM 0 HA VAL A 57 -27.839 3.338 2.830 1.00 0.00 H new ATOM 0 HB VAL A 57 -30.236 1.589 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -30.109 0.773 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -28.650 0.324 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -28.597 1.681 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -31.306 2.900 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -29.794 3.809 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -30.702 3.968 2.655 1.00 0.00 H new ATOM 283 N VAL A 58 -27.740 0.788 0.742 1.00 0.00 N ATOM 284 CA VAL A 58 -26.932 -0.355 0.318 1.00 0.00 C ATOM 285 C VAL A 58 -25.461 0.032 0.164 1.00 0.00 C ATOM 286 O VAL A 58 -24.584 -0.832 0.148 1.00 0.00 O ATOM 287 CB VAL A 58 -27.457 -0.904 -1.011 1.00 0.00 C ATOM 288 CG1 VAL A 58 -26.474 -1.938 -1.562 1.00 0.00 C ATOM 289 CG2 VAL A 58 -28.818 -1.567 -0.786 1.00 0.00 C ATOM 0 H VAL A 58 -28.541 0.985 0.142 1.00 0.00 H new ATOM 0 HA VAL A 58 -27.008 -1.122 1.089 1.00 0.00 H new ATOM 0 HB VAL A 58 -27.562 -0.086 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.849 -2.328 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.504 -1.468 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -26.368 -2.756 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -29.193 -1.958 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -28.711 -2.384 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -29.520 -0.832 -0.394 1.00 0.00 H new ATOM 299 N GLU A 59 -25.196 1.327 0.032 1.00 0.00 N ATOM 300 CA GLU A 59 -23.826 1.803 -0.144 1.00 0.00 C ATOM 301 C GLU A 59 -22.898 1.168 0.889 1.00 0.00 C ATOM 302 O GLU A 59 -21.681 1.129 0.699 1.00 0.00 O ATOM 303 CB GLU A 59 -23.781 3.328 0.000 1.00 0.00 C ATOM 304 CG GLU A 59 -24.034 3.724 1.459 1.00 0.00 C ATOM 305 CD GLU A 59 -24.257 5.229 1.559 1.00 0.00 C ATOM 306 OE1 GLU A 59 -24.222 5.883 0.529 1.00 0.00 O ATOM 307 OE2 GLU A 59 -24.457 5.707 2.663 1.00 0.00 O ATOM 0 H GLU A 59 -25.904 2.061 0.043 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.490 1.519 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.811 3.704 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -24.532 3.785 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.905 3.193 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.185 3.432 2.076 1.00 0.00 H new ATOM 314 N SER A 60 -23.473 0.670 1.978 1.00 0.00 N ATOM 315 CA SER A 60 -22.678 0.039 3.024 1.00 0.00 C ATOM 316 C SER A 60 -21.942 -1.177 2.470 1.00 0.00 C ATOM 317 O SER A 60 -20.782 -1.420 2.802 1.00 0.00 O ATOM 318 CB SER A 60 -23.582 -0.392 4.179 1.00 0.00 C ATOM 319 OG SER A 60 -24.137 0.762 4.797 1.00 0.00 O ATOM 0 H SER A 60 -24.477 0.690 2.158 1.00 0.00 H new ATOM 0 HA SER A 60 -21.947 0.761 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 60 -24.378 -1.040 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 -23.012 -0.969 4.906 1.00 0.00 H new ATOM 0 HG SER A 60 -24.897 1.083 4.268 1.00 0.00 H new ATOM 325 N GLN A 61 -22.627 -1.936 1.620 1.00 0.00 N ATOM 326 CA GLN A 61 -22.037 -3.125 1.014 1.00 0.00 C ATOM 327 C GLN A 61 -20.898 -2.732 0.076 1.00 0.00 C ATOM 328 O GLN A 61 -19.965 -3.505 -0.142 1.00 0.00 O ATOM 329 CB GLN A 61 -23.104 -3.897 0.228 1.00 0.00 C ATOM 330 CG GLN A 61 -24.141 -4.494 1.187 1.00 0.00 C ATOM 331 CD GLN A 61 -23.489 -5.522 2.107 1.00 0.00 C ATOM 332 OE1 GLN A 61 -23.455 -5.337 3.324 1.00 0.00 O ATOM 333 NE2 GLN A 61 -22.970 -6.606 1.596 1.00 0.00 N ATOM 0 H GLN A 61 -23.589 -1.750 1.336 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.642 -3.759 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -23.595 -3.232 -0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.635 -4.692 -0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -24.594 -3.701 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -24.943 -4.964 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.998 -6.759 0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.536 -7.300 2.205 1.00 0.00 H new ATOM 342 N ALA A 62 -20.990 -1.531 -0.480 1.00 0.00 N ATOM 343 CA ALA A 62 -19.972 -1.039 -1.403 1.00 0.00 C ATOM 344 C ALA A 62 -18.605 -0.977 -0.726 1.00 0.00 C ATOM 345 O ALA A 62 -17.584 -1.277 -1.344 1.00 0.00 O ATOM 346 CB ALA A 62 -20.354 0.354 -1.909 1.00 0.00 C ATOM 0 H ALA A 62 -21.756 -0.880 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 62 -19.914 -1.731 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -19.589 0.714 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -21.312 0.303 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -20.433 1.039 -1.065 1.00 0.00 H new ATOM 352 N GLU A 63 -18.587 -0.580 0.542 1.00 0.00 N ATOM 353 CA GLU A 63 -17.331 -0.479 1.278 1.00 0.00 C ATOM 354 C GLU A 63 -16.638 -1.837 1.339 1.00 0.00 C ATOM 355 O GLU A 63 -15.426 -1.932 1.145 1.00 0.00 O ATOM 356 CB GLU A 63 -17.603 0.027 2.698 1.00 0.00 C ATOM 357 CG GLU A 63 -16.280 0.188 3.456 1.00 0.00 C ATOM 358 CD GLU A 63 -16.542 0.756 4.847 1.00 0.00 C ATOM 359 OE1 GLU A 63 -17.697 0.997 5.158 1.00 0.00 O ATOM 360 OE2 GLU A 63 -15.585 0.940 5.579 1.00 0.00 O ATOM 0 H GLU A 63 -19.417 -0.325 1.077 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.678 0.224 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.129 0.981 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -18.251 -0.673 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.778 -0.776 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.613 0.850 2.904 1.00 0.00 H new ATOM 367 N LEU A 64 -17.412 -2.884 1.602 1.00 0.00 N ATOM 368 CA LEU A 64 -16.857 -4.231 1.675 1.00 0.00 C ATOM 369 C LEU A 64 -16.274 -4.640 0.327 1.00 0.00 C ATOM 370 O LEU A 64 -15.224 -5.278 0.261 1.00 0.00 O ATOM 371 CB LEU A 64 -17.942 -5.228 2.090 1.00 0.00 C ATOM 372 CG LEU A 64 -18.262 -5.055 3.579 1.00 0.00 C ATOM 373 CD1 LEU A 64 -18.851 -3.665 3.827 1.00 0.00 C ATOM 374 CD2 LEU A 64 -19.277 -6.118 4.006 1.00 0.00 C ATOM 0 H LEU A 64 -18.417 -2.828 1.767 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.062 -4.235 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.841 -5.070 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -17.606 -6.247 1.896 1.00 0.00 H new ATOM 0 HG LEU A 64 -17.345 -5.165 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -19.076 -3.549 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -18.131 -2.905 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -19.767 -3.549 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -19.507 -5.997 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -20.190 -6.005 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.858 -7.110 3.836 1.00 0.00 H new ATOM 386 N TYR A 65 -16.966 -4.265 -0.743 1.00 0.00 N ATOM 387 CA TYR A 65 -16.515 -4.593 -2.091 1.00 0.00 C ATOM 388 C TYR A 65 -15.134 -4.000 -2.354 1.00 0.00 C ATOM 389 O TYR A 65 -14.234 -4.689 -2.835 1.00 0.00 O ATOM 390 CB TYR A 65 -17.513 -4.049 -3.115 1.00 0.00 C ATOM 391 CG TYR A 65 -16.997 -4.295 -4.512 1.00 0.00 C ATOM 392 CD1 TYR A 65 -17.117 -5.564 -5.088 1.00 0.00 C ATOM 393 CD2 TYR A 65 -16.403 -3.251 -5.232 1.00 0.00 C ATOM 394 CE1 TYR A 65 -16.642 -5.790 -6.386 1.00 0.00 C ATOM 395 CE2 TYR A 65 -15.927 -3.478 -6.529 1.00 0.00 C ATOM 396 CZ TYR A 65 -16.047 -4.749 -7.106 1.00 0.00 C ATOM 397 OH TYR A 65 -15.580 -4.970 -8.386 1.00 0.00 O ATOM 0 H TYR A 65 -17.837 -3.736 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.452 -5.677 -2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.481 -4.532 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.665 -2.981 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -17.575 -6.369 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.312 -2.271 -4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.735 -6.769 -6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.468 -2.674 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.197 -4.141 -8.742 1.00 0.00 H new ATOM 407 N SER A 66 -14.974 -2.720 -2.035 1.00 0.00 N ATOM 408 CA SER A 66 -13.698 -2.043 -2.236 1.00 0.00 C ATOM 409 C SER A 66 -12.608 -2.704 -1.401 1.00 0.00 C ATOM 410 O SER A 66 -11.486 -2.906 -1.865 1.00 0.00 O ATOM 411 CB SER A 66 -13.821 -0.570 -1.846 1.00 0.00 C ATOM 412 OG SER A 66 -12.569 0.074 -2.045 1.00 0.00 O ATOM 0 H SER A 66 -15.708 -2.133 -1.638 1.00 0.00 H new ATOM 0 HA SER A 66 -13.429 -2.116 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.592 -0.086 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.127 -0.482 -0.803 1.00 0.00 H new ATOM 0 HG SER A 66 -12.644 1.019 -1.797 1.00 0.00 H new ATOM 418 N LEU A 67 -12.951 -3.034 -0.161 1.00 0.00 N ATOM 419 CA LEU A 67 -12.005 -3.666 0.749 1.00 0.00 C ATOM 420 C LEU A 67 -11.538 -5.006 0.184 1.00 0.00 C ATOM 421 O LEU A 67 -10.351 -5.329 0.226 1.00 0.00 O ATOM 422 CB LEU A 67 -12.676 -3.874 2.113 1.00 0.00 C ATOM 423 CG LEU A 67 -11.703 -4.534 3.097 1.00 0.00 C ATOM 424 CD1 LEU A 67 -10.479 -3.638 3.295 1.00 0.00 C ATOM 425 CD2 LEU A 67 -12.410 -4.726 4.441 1.00 0.00 C ATOM 0 H LEU A 67 -13.877 -2.874 0.236 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.135 -3.021 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.009 -2.915 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.563 -4.497 1.997 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.382 -5.498 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.791 -4.112 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.978 -3.489 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.795 -2.674 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.726 -5.195 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.724 -3.757 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.284 -5.363 4.305 1.00 0.00 H new ATOM 437 N GLU A 68 -12.480 -5.783 -0.342 1.00 0.00 N ATOM 438 CA GLU A 68 -12.151 -7.087 -0.910 1.00 0.00 C ATOM 439 C GLU A 68 -11.184 -6.934 -2.081 1.00 0.00 C ATOM 440 O GLU A 68 -10.236 -7.707 -2.220 1.00 0.00 O ATOM 441 CB GLU A 68 -13.430 -7.785 -1.383 1.00 0.00 C ATOM 442 CG GLU A 68 -13.093 -9.177 -1.924 1.00 0.00 C ATOM 443 CD GLU A 68 -14.371 -9.902 -2.330 1.00 0.00 C ATOM 444 OE1 GLU A 68 -15.433 -9.319 -2.181 1.00 0.00 O ATOM 445 OE2 GLU A 68 -14.272 -11.029 -2.785 1.00 0.00 O ATOM 0 H GLU A 68 -13.469 -5.536 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.672 -7.691 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.137 -7.867 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.914 -7.191 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.426 -9.091 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.564 -9.753 -1.165 1.00 0.00 H new ATOM 452 N LYS A 69 -11.435 -5.939 -2.924 1.00 0.00 N ATOM 453 CA LYS A 69 -10.583 -5.702 -4.086 1.00 0.00 C ATOM 454 C LYS A 69 -9.377 -4.841 -3.711 1.00 0.00 C ATOM 455 O LYS A 69 -8.484 -4.624 -4.528 1.00 0.00 O ATOM 456 CB LYS A 69 -11.388 -5.016 -5.193 1.00 0.00 C ATOM 457 CG LYS A 69 -12.528 -5.929 -5.660 1.00 0.00 C ATOM 458 CD LYS A 69 -12.014 -6.936 -6.698 1.00 0.00 C ATOM 459 CE LYS A 69 -13.189 -7.755 -7.236 1.00 0.00 C ATOM 460 NZ LYS A 69 -14.124 -6.858 -7.970 1.00 0.00 N ATOM 0 H LYS A 69 -12.214 -5.288 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.220 -6.664 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.794 -4.073 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.736 -4.777 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.950 -6.460 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.330 -5.329 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.517 -6.412 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.273 -7.596 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.826 -8.540 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.710 -8.247 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.660 -7.412 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.784 -6.419 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.582 -6.116 -8.458 1.00 0.00 H new ATOM 474 N ASN A 70 -9.353 -4.362 -2.471 1.00 0.00 N ATOM 475 CA ASN A 70 -8.241 -3.537 -2.006 1.00 0.00 C ATOM 476 C ASN A 70 -8.024 -2.336 -2.924 1.00 0.00 C ATOM 477 O ASN A 70 -6.903 -2.069 -3.356 1.00 0.00 O ATOM 478 CB ASN A 70 -6.961 -4.372 -1.953 1.00 0.00 C ATOM 479 CG ASN A 70 -5.909 -3.664 -1.107 1.00 0.00 C ATOM 480 OD1 ASN A 70 -6.242 -3.020 -0.112 1.00 0.00 O ATOM 481 ND2 ASN A 70 -4.651 -3.745 -1.445 1.00 0.00 N ATOM 0 H ASN A 70 -10.081 -4.528 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.486 -3.171 -1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.176 -5.355 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.580 -4.533 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.941 -3.274 -0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.378 -4.279 -2.270 1.00 0.00 H new ATOM 488 N GLU A 71 -9.100 -1.616 -3.218 1.00 0.00 N ATOM 489 CA GLU A 71 -9.012 -0.445 -4.086 1.00 0.00 C ATOM 490 C GLU A 71 -8.589 0.787 -3.291 1.00 0.00 C ATOM 491 O GLU A 71 -8.462 1.878 -3.846 1.00 0.00 O ATOM 492 CB GLU A 71 -10.361 -0.187 -4.759 1.00 0.00 C ATOM 493 CG GLU A 71 -10.631 -1.282 -5.792 1.00 0.00 C ATOM 494 CD GLU A 71 -12.057 -1.163 -6.319 1.00 0.00 C ATOM 495 OE1 GLU A 71 -12.834 -0.445 -5.712 1.00 0.00 O ATOM 496 OE2 GLU A 71 -12.350 -1.792 -7.322 1.00 0.00 O ATOM 0 H GLU A 71 -10.038 -1.819 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.260 -0.642 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.155 -0.172 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.358 0.791 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.922 -1.199 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.482 -2.263 -5.341 1.00 0.00 H new ATOM 503 N ASP A 72 -8.360 0.604 -1.994 1.00 0.00 N ATOM 504 CA ASP A 72 -7.935 1.706 -1.139 1.00 0.00 C ATOM 505 C ASP A 72 -7.283 1.162 0.130 1.00 0.00 C ATOM 506 O ASP A 72 -7.829 0.276 0.786 1.00 0.00 O ATOM 507 CB ASP A 72 -9.136 2.582 -0.774 1.00 0.00 C ATOM 508 CG ASP A 72 -10.198 1.749 -0.064 1.00 0.00 C ATOM 509 OD1 ASP A 72 -10.030 0.543 0.011 1.00 0.00 O ATOM 510 OD2 ASP A 72 -11.167 2.330 0.398 1.00 0.00 O ATOM 0 H ASP A 72 -8.461 -0.291 -1.515 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.208 2.311 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.816 3.401 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.556 3.030 -1.675 1.00 0.00 H new ATOM 515 N ALA A 73 -6.108 1.684 0.468 1.00 0.00 N ATOM 516 CA ALA A 73 -5.406 1.217 1.657 1.00 0.00 C ATOM 517 C ALA A 73 -4.424 2.265 2.177 1.00 0.00 C ATOM 518 O ALA A 73 -3.993 3.153 1.443 1.00 0.00 O ATOM 519 CB ALA A 73 -4.657 -0.079 1.340 1.00 0.00 C ATOM 0 H ALA A 73 -5.629 2.418 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.148 1.035 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.134 -0.424 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.367 -0.841 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.935 0.103 0.544 1.00 0.00 H new ATOM 525 N SER A 74 -4.077 2.140 3.456 1.00 0.00 N ATOM 526 CA SER A 74 -3.144 3.062 4.097 1.00 0.00 C ATOM 527 C SER A 74 -1.700 2.657 3.807 1.00 0.00 C ATOM 528 O SER A 74 -1.428 1.514 3.445 1.00 0.00 O ATOM 529 CB SER A 74 -3.376 3.074 5.609 1.00 0.00 C ATOM 530 OG SER A 74 -2.409 3.912 6.224 1.00 0.00 O ATOM 0 H SER A 74 -4.430 1.406 4.070 1.00 0.00 H new ATOM 0 HA SER A 74 -3.318 4.060 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.381 3.434 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.304 2.062 6.008 1.00 0.00 H new ATOM 0 HG SER A 74 -2.555 3.924 7.193 1.00 0.00 H new ATOM 536 N LEU A 75 -0.779 3.603 3.966 1.00 0.00 N ATOM 537 CA LEU A 75 0.633 3.329 3.708 1.00 0.00 C ATOM 538 C LEU A 75 1.051 2.059 4.433 1.00 0.00 C ATOM 539 O LEU A 75 1.725 1.204 3.859 1.00 0.00 O ATOM 540 CB LEU A 75 1.486 4.508 4.191 1.00 0.00 C ATOM 541 CG LEU A 75 2.975 4.238 3.932 1.00 0.00 C ATOM 542 CD1 LEU A 75 3.218 4.056 2.431 1.00 0.00 C ATOM 543 CD2 LEU A 75 3.796 5.428 4.431 1.00 0.00 C ATOM 0 H LEU A 75 -0.980 4.556 4.269 1.00 0.00 H new ATOM 0 HA LEU A 75 0.782 3.195 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.181 5.419 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.320 4.672 5.256 1.00 0.00 H new ATOM 0 HG LEU A 75 3.273 3.331 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.276 3.865 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.631 3.213 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.920 4.961 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.854 5.241 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.490 6.329 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.629 5.562 5.500 1.00 0.00 H new ATOM 555 N ARG A 76 0.662 1.939 5.694 1.00 0.00 N ATOM 556 CA ARG A 76 1.028 0.759 6.462 1.00 0.00 C ATOM 557 C ARG A 76 0.470 -0.499 5.801 1.00 0.00 C ATOM 558 O ARG A 76 1.171 -1.505 5.688 1.00 0.00 O ATOM 559 CB ARG A 76 0.478 0.875 7.886 1.00 0.00 C ATOM 560 CG ARG A 76 1.234 1.972 8.637 1.00 0.00 C ATOM 561 CD ARG A 76 0.558 2.228 9.985 1.00 0.00 C ATOM 562 NE ARG A 76 -0.759 2.822 9.783 1.00 0.00 N ATOM 563 CZ ARG A 76 -1.560 3.078 10.811 1.00 0.00 C ATOM 564 NH1 ARG A 76 -2.732 3.615 10.606 1.00 0.00 N ATOM 565 NH2 ARG A 76 -1.174 2.796 12.027 1.00 0.00 N ATOM 0 H ARG A 76 0.105 2.629 6.198 1.00 0.00 H new ATOM 0 HA ARG A 76 2.115 0.689 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.587 1.106 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.584 -0.077 8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.271 1.674 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.249 2.888 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.462 1.292 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.176 2.892 10.590 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.070 3.044 8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.032 3.838 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.348 3.812 11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.257 2.379 12.187 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.790 2.993 12.816 1.00 0.00 H new ATOM 579 N LYS A 77 -0.780 -0.440 5.345 1.00 0.00 N ATOM 580 CA LYS A 77 -1.374 -1.595 4.680 1.00 0.00 C ATOM 581 C LYS A 77 -0.675 -1.837 3.343 1.00 0.00 C ATOM 582 O LYS A 77 -0.266 -2.957 3.037 1.00 0.00 O ATOM 583 CB LYS A 77 -2.868 -1.359 4.451 1.00 0.00 C ATOM 584 CG LYS A 77 -3.596 -1.348 5.796 1.00 0.00 C ATOM 585 CD LYS A 77 -5.091 -1.114 5.565 1.00 0.00 C ATOM 586 CE LYS A 77 -5.819 -1.107 6.911 1.00 0.00 C ATOM 587 NZ LYS A 77 -7.274 -0.871 6.689 1.00 0.00 N ATOM 0 H LYS A 77 -1.388 0.375 5.421 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.249 -2.473 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.022 -0.412 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.276 -2.141 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.441 -2.295 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.189 -0.565 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.247 -0.166 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.498 -1.896 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.668 -2.057 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.408 -0.329 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.768 -0.866 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.409 0.046 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.661 -1.628 6.090 1.00 0.00 H new ATOM 601 N LEU A 78 -0.561 -0.774 2.546 1.00 0.00 N ATOM 602 CA LEU A 78 0.070 -0.864 1.232 1.00 0.00 C ATOM 603 C LEU A 78 1.276 -1.787 1.276 1.00 0.00 C ATOM 604 O LEU A 78 1.470 -2.616 0.387 1.00 0.00 O ATOM 605 CB LEU A 78 0.526 0.524 0.781 1.00 0.00 C ATOM 606 CG LEU A 78 -0.352 1.028 -0.369 1.00 0.00 C ATOM 607 CD1 LEU A 78 -1.805 1.140 0.091 1.00 0.00 C ATOM 608 CD2 LEU A 78 0.147 2.403 -0.819 1.00 0.00 C ATOM 0 H LEU A 78 -0.898 0.158 2.789 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.661 -1.265 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.475 1.220 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.567 0.486 0.462 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.295 0.324 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.421 1.499 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.162 0.161 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.870 1.840 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.475 2.766 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.092 3.101 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.180 2.322 -1.157 1.00 0.00 H new ATOM 620 N GLN A 79 2.091 -1.636 2.311 1.00 0.00 N ATOM 621 CA GLN A 79 3.282 -2.467 2.446 1.00 0.00 C ATOM 622 C GLN A 79 2.894 -3.939 2.585 1.00 0.00 C ATOM 623 O GLN A 79 3.519 -4.814 1.986 1.00 0.00 O ATOM 624 CB GLN A 79 4.103 -2.023 3.660 1.00 0.00 C ATOM 625 CG GLN A 79 5.466 -2.727 3.652 1.00 0.00 C ATOM 626 CD GLN A 79 6.272 -2.312 4.879 1.00 0.00 C ATOM 627 OE1 GLN A 79 6.043 -1.241 5.438 1.00 0.00 O ATOM 628 NE2 GLN A 79 7.207 -3.102 5.331 1.00 0.00 N ATOM 0 H GLN A 79 1.954 -0.957 3.060 1.00 0.00 H new ATOM 0 HA GLN A 79 3.888 -2.350 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.242 -0.942 3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.567 -2.259 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.327 -3.808 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.012 -2.471 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.394 -3.990 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.751 -2.832 6.151 1.00 0.00 H new ATOM 637 N ALA A 80 1.855 -4.204 3.372 1.00 0.00 N ATOM 638 CA ALA A 80 1.391 -5.572 3.575 1.00 0.00 C ATOM 639 C ALA A 80 0.591 -6.054 2.365 1.00 0.00 C ATOM 640 O ALA A 80 0.300 -7.242 2.230 1.00 0.00 O ATOM 641 CB ALA A 80 0.517 -5.643 4.827 1.00 0.00 C ATOM 0 H ALA A 80 1.322 -3.495 3.876 1.00 0.00 H new ATOM 0 HA ALA A 80 2.261 -6.217 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.173 -6.667 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.097 -5.327 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.344 -4.985 4.708 1.00 0.00 H new ATOM 647 N ASP A 81 0.228 -5.115 1.498 1.00 0.00 N ATOM 648 CA ASP A 81 -0.553 -5.442 0.309 1.00 0.00 C ATOM 649 C ASP A 81 0.352 -5.695 -0.893 1.00 0.00 C ATOM 650 O ASP A 81 -0.130 -5.908 -2.005 1.00 0.00 O ATOM 651 CB ASP A 81 -1.520 -4.305 -0.016 1.00 0.00 C ATOM 652 CG ASP A 81 -2.469 -4.078 1.155 1.00 0.00 C ATOM 653 OD1 ASP A 81 -3.003 -5.053 1.658 1.00 0.00 O ATOM 654 OD2 ASP A 81 -2.649 -2.931 1.534 1.00 0.00 O ATOM 0 H ASP A 81 0.460 -4.126 1.594 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.115 -6.352 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.963 -3.392 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.089 -4.545 -0.914 1.00 0.00 H new ATOM 659 N GLY A 82 1.662 -5.701 -0.665 1.00 0.00 N ATOM 660 CA GLY A 82 2.611 -5.967 -1.738 1.00 0.00 C ATOM 661 C GLY A 82 2.844 -4.743 -2.619 1.00 0.00 C ATOM 662 O GLY A 82 3.630 -4.797 -3.564 1.00 0.00 O ATOM 0 H GLY A 82 2.087 -5.526 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.560 -6.290 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.242 -6.789 -2.351 1.00 0.00 H new ATOM 666 N ARG A 83 2.163 -3.643 -2.317 1.00 0.00 N ATOM 667 CA ARG A 83 2.328 -2.434 -3.115 1.00 0.00 C ATOM 668 C ARG A 83 3.749 -1.896 -2.981 1.00 0.00 C ATOM 669 O ARG A 83 4.366 -1.499 -3.969 1.00 0.00 O ATOM 670 CB ARG A 83 1.309 -1.385 -2.682 1.00 0.00 C ATOM 671 CG ARG A 83 -0.080 -1.799 -3.190 1.00 0.00 C ATOM 672 CD ARG A 83 -0.375 -1.118 -4.531 1.00 0.00 C ATOM 673 NE ARG A 83 0.565 -1.568 -5.552 1.00 0.00 N ATOM 674 CZ ARG A 83 0.397 -2.730 -6.176 1.00 0.00 C ATOM 675 NH1 ARG A 83 1.252 -3.110 -7.087 1.00 0.00 N ATOM 676 NH2 ARG A 83 -0.622 -3.490 -5.881 1.00 0.00 N ATOM 0 H ARG A 83 1.505 -3.563 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 83 2.156 -2.675 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.301 -1.293 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.581 -0.408 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.126 -2.882 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.840 -1.524 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.395 -1.343 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.308 -0.036 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 83 1.364 -0.981 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.048 -2.516 -7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.124 -4.001 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.291 -3.193 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.749 -4.381 -6.361 1.00 0.00 H new ATOM 690 N ILE A 84 4.275 -1.916 -1.760 1.00 0.00 N ATOM 691 CA ILE A 84 5.639 -1.455 -1.518 1.00 0.00 C ATOM 692 C ILE A 84 6.349 -2.439 -0.594 1.00 0.00 C ATOM 693 O ILE A 84 5.737 -2.978 0.325 1.00 0.00 O ATOM 694 CB ILE A 84 5.638 -0.048 -0.892 1.00 0.00 C ATOM 695 CG1 ILE A 84 4.969 -0.072 0.487 1.00 0.00 C ATOM 696 CG2 ILE A 84 4.869 0.922 -1.791 1.00 0.00 C ATOM 697 CD1 ILE A 84 5.055 1.320 1.118 1.00 0.00 C ATOM 0 H ILE A 84 3.783 -2.243 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 84 6.167 -1.402 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 84 6.673 0.278 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.927 -0.377 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.459 -0.805 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.873 1.915 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.345 0.965 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.841 0.578 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.580 1.305 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.101 1.606 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.545 2.041 0.479 1.00 0.00 H new ATOM 709 N THR A 85 7.636 -2.669 -0.834 1.00 0.00 N ATOM 710 CA THR A 85 8.397 -3.591 0.006 1.00 0.00 C ATOM 711 C THR A 85 9.472 -2.853 0.791 1.00 0.00 C ATOM 712 O THR A 85 10.153 -1.977 0.259 1.00 0.00 O ATOM 713 CB THR A 85 9.050 -4.674 -0.853 1.00 0.00 C ATOM 714 OG1 THR A 85 9.906 -4.068 -1.804 1.00 0.00 O ATOM 715 CG2 THR A 85 7.971 -5.475 -1.576 1.00 0.00 C ATOM 0 H THR A 85 8.168 -2.238 -1.590 1.00 0.00 H new ATOM 0 HA THR A 85 7.703 -4.052 0.709 1.00 0.00 H new ATOM 0 HB THR A 85 9.629 -5.342 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.946 -4.625 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.439 -6.246 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.313 -5.942 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.390 -4.809 -2.214 1.00 0.00 H new ATOM 723 N GLU A 86 9.626 -3.218 2.058 1.00 0.00 N ATOM 724 CA GLU A 86 10.627 -2.591 2.906 1.00 0.00 C ATOM 725 C GLU A 86 12.022 -2.838 2.344 1.00 0.00 C ATOM 726 O GLU A 86 12.871 -1.948 2.351 1.00 0.00 O ATOM 727 CB GLU A 86 10.537 -3.158 4.326 1.00 0.00 C ATOM 728 CG GLU A 86 11.553 -2.456 5.231 1.00 0.00 C ATOM 729 CD GLU A 86 11.420 -2.970 6.660 1.00 0.00 C ATOM 730 OE1 GLU A 86 10.568 -3.816 6.889 1.00 0.00 O ATOM 731 OE2 GLU A 86 12.170 -2.513 7.507 1.00 0.00 O ATOM 0 H GLU A 86 9.073 -3.941 2.517 1.00 0.00 H new ATOM 0 HA GLU A 86 10.440 -1.518 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.530 -3.020 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.729 -4.231 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.564 -2.635 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.391 -1.378 5.207 1.00 0.00 H new ATOM 738 N GLU A 87 12.257 -4.054 1.865 1.00 0.00 N ATOM 739 CA GLU A 87 13.561 -4.402 1.314 1.00 0.00 C ATOM 740 C GLU A 87 13.888 -3.520 0.111 1.00 0.00 C ATOM 741 O GLU A 87 15.011 -3.030 -0.018 1.00 0.00 O ATOM 742 CB GLU A 87 13.575 -5.873 0.885 1.00 0.00 C ATOM 743 CG GLU A 87 13.522 -6.789 2.117 1.00 0.00 C ATOM 744 CD GLU A 87 12.086 -6.923 2.622 1.00 0.00 C ATOM 745 OE1 GLU A 87 11.201 -6.364 1.995 1.00 0.00 O ATOM 746 OE2 GLU A 87 11.896 -7.583 3.630 1.00 0.00 O ATOM 0 H GLU A 87 11.570 -4.808 1.847 1.00 0.00 H new ATOM 0 HA GLU A 87 14.313 -4.241 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.724 -6.077 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.475 -6.082 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.918 -7.772 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.155 -6.384 2.906 1.00 0.00 H new ATOM 753 N GLN A 88 12.908 -3.312 -0.766 1.00 0.00 N ATOM 754 CA GLN A 88 13.128 -2.474 -1.942 1.00 0.00 C ATOM 755 C GLN A 88 13.363 -1.023 -1.536 1.00 0.00 C ATOM 756 O GLN A 88 14.207 -0.339 -2.114 1.00 0.00 O ATOM 757 CB GLN A 88 11.931 -2.553 -2.892 1.00 0.00 C ATOM 758 CG GLN A 88 12.236 -1.761 -4.167 1.00 0.00 C ATOM 759 CD GLN A 88 11.091 -1.910 -5.161 1.00 0.00 C ATOM 760 OE1 GLN A 88 10.132 -2.639 -4.901 1.00 0.00 O ATOM 761 NE2 GLN A 88 11.132 -1.259 -6.291 1.00 0.00 N ATOM 0 H GLN A 88 11.970 -3.704 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 88 14.015 -2.846 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.718 -3.593 -3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.041 -2.152 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.383 -0.709 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.164 -2.118 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.927 -0.656 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.369 -1.353 -6.962 1.00 0.00 H new ATOM 770 N ALA A 89 12.603 -0.552 -0.550 1.00 0.00 N ATOM 771 CA ALA A 89 12.738 0.829 -0.099 1.00 0.00 C ATOM 772 C ALA A 89 14.153 1.089 0.411 1.00 0.00 C ATOM 773 O ALA A 89 14.780 2.084 0.049 1.00 0.00 O ATOM 774 CB ALA A 89 11.724 1.107 1.016 1.00 0.00 C ATOM 0 H ALA A 89 11.898 -1.098 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 89 12.545 1.494 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.826 2.139 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.714 0.947 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.909 0.433 1.853 1.00 0.00 H new ATOM 780 N LYS A 90 14.646 0.198 1.263 1.00 0.00 N ATOM 781 CA LYS A 90 15.983 0.351 1.826 1.00 0.00 C ATOM 782 C LYS A 90 17.024 0.515 0.722 1.00 0.00 C ATOM 783 O LYS A 90 17.997 1.252 0.883 1.00 0.00 O ATOM 784 CB LYS A 90 16.332 -0.863 2.690 1.00 0.00 C ATOM 785 CG LYS A 90 16.176 -0.509 4.173 1.00 0.00 C ATOM 786 CD LYS A 90 14.741 -0.047 4.451 1.00 0.00 C ATOM 787 CE LYS A 90 14.341 -0.450 5.872 1.00 0.00 C ATOM 788 NZ LYS A 90 15.274 0.180 6.849 1.00 0.00 N ATOM 0 H LYS A 90 14.145 -0.633 1.578 1.00 0.00 H new ATOM 0 HA LYS A 90 15.990 1.249 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.681 -1.700 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.355 -1.182 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.414 -1.376 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.880 0.278 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.667 1.034 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.058 -0.494 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.317 -0.136 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.368 -1.535 5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.859 0.138 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.180 -0.331 6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.435 1.173 6.585 1.00 0.00 H new ATOM 802 N ALA A 91 16.819 -0.168 -0.400 1.00 0.00 N ATOM 803 CA ALA A 91 17.757 -0.075 -1.513 1.00 0.00 C ATOM 804 C ALA A 91 17.840 1.366 -2.015 1.00 0.00 C ATOM 805 O ALA A 91 18.921 1.859 -2.335 1.00 0.00 O ATOM 806 CB ALA A 91 17.309 -0.990 -2.654 1.00 0.00 C ATOM 0 H ALA A 91 16.022 -0.784 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 91 18.741 -0.389 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.016 -0.914 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 91 17.273 -2.021 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.318 -0.689 -2.995 1.00 0.00 H new ATOM 812 N TYR A 92 16.692 2.035 -2.072 1.00 0.00 N ATOM 813 CA TYR A 92 16.646 3.420 -2.527 1.00 0.00 C ATOM 814 C TYR A 92 17.501 4.303 -1.622 1.00 0.00 C ATOM 815 O TYR A 92 18.300 5.111 -2.097 1.00 0.00 O ATOM 816 CB TYR A 92 15.204 3.929 -2.524 1.00 0.00 C ATOM 817 CG TYR A 92 15.183 5.382 -2.936 1.00 0.00 C ATOM 818 CD1 TYR A 92 15.299 5.728 -4.287 1.00 0.00 C ATOM 819 CD2 TYR A 92 15.049 6.382 -1.965 1.00 0.00 C ATOM 820 CE1 TYR A 92 15.282 7.076 -4.668 1.00 0.00 C ATOM 821 CE2 TYR A 92 15.033 7.729 -2.346 1.00 0.00 C ATOM 822 CZ TYR A 92 15.149 8.075 -3.698 1.00 0.00 C ATOM 823 OH TYR A 92 15.134 9.403 -4.073 1.00 0.00 O ATOM 0 H TYR A 92 15.787 1.643 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 92 17.039 3.463 -3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.596 3.337 -3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.769 3.815 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.402 4.956 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.958 6.114 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.372 7.344 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.931 8.501 -1.598 1.00 0.00 H new ATOM 0 HH TYR A 92 15.034 9.966 -3.277 1.00 0.00 H new ATOM 833 N LYS A 93 17.324 4.142 -0.315 1.00 0.00 N ATOM 834 CA LYS A 93 18.078 4.925 0.658 1.00 0.00 C ATOM 835 C LYS A 93 19.573 4.681 0.490 1.00 0.00 C ATOM 836 O LYS A 93 20.379 5.603 0.611 1.00 0.00 O ATOM 837 CB LYS A 93 17.647 4.548 2.079 1.00 0.00 C ATOM 838 CG LYS A 93 18.400 5.414 3.097 1.00 0.00 C ATOM 839 CD LYS A 93 17.929 5.070 4.510 1.00 0.00 C ATOM 840 CE LYS A 93 18.654 5.960 5.522 1.00 0.00 C ATOM 841 NZ LYS A 93 20.116 5.672 5.483 1.00 0.00 N ATOM 0 H LYS A 93 16.667 3.478 0.095 1.00 0.00 H new ATOM 0 HA LYS A 93 17.873 5.982 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.572 4.689 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.851 3.493 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.473 5.246 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.225 6.470 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.851 5.213 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.128 4.020 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.474 7.010 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.264 5.781 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.564 6.032 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.266 4.645 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.540 6.138 4.655 1.00 0.00 H new ATOM 855 N GLU A 94 19.937 3.432 0.219 1.00 0.00 N ATOM 856 CA GLU A 94 21.339 3.070 0.045 1.00 0.00 C ATOM 857 C GLU A 94 21.959 3.863 -1.104 1.00 0.00 C ATOM 858 O GLU A 94 23.111 4.286 -1.022 1.00 0.00 O ATOM 859 CB GLU A 94 21.453 1.569 -0.239 1.00 0.00 C ATOM 860 CG GLU A 94 22.927 1.169 -0.307 1.00 0.00 C ATOM 861 CD GLU A 94 23.047 -0.332 -0.553 1.00 0.00 C ATOM 862 OE1 GLU A 94 22.019 -0.979 -0.658 1.00 0.00 O ATOM 863 OE2 GLU A 94 24.167 -0.811 -0.632 1.00 0.00 O ATOM 0 H GLU A 94 19.283 2.656 0.115 1.00 0.00 H new ATOM 0 HA GLU A 94 21.878 3.308 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.948 1.002 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.957 1.328 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 94 23.425 1.718 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 94 23.428 1.435 0.624 1.00 0.00 H new ATOM 870 N TYR A 95 21.188 4.067 -2.167 1.00 0.00 N ATOM 871 CA TYR A 95 21.675 4.817 -3.321 1.00 0.00 C ATOM 872 C TYR A 95 22.115 6.211 -2.885 1.00 0.00 C ATOM 873 O TYR A 95 23.177 6.690 -3.276 1.00 0.00 O ATOM 874 CB TYR A 95 20.579 4.935 -4.381 1.00 0.00 C ATOM 875 CG TYR A 95 21.094 5.753 -5.541 1.00 0.00 C ATOM 876 CD1 TYR A 95 21.961 5.174 -6.474 1.00 0.00 C ATOM 877 CD2 TYR A 95 20.706 7.091 -5.682 1.00 0.00 C ATOM 878 CE1 TYR A 95 22.440 5.932 -7.550 1.00 0.00 C ATOM 879 CE2 TYR A 95 21.185 7.850 -6.757 1.00 0.00 C ATOM 880 CZ TYR A 95 22.052 7.269 -7.690 1.00 0.00 C ATOM 881 OH TYR A 95 22.526 8.017 -8.750 1.00 0.00 O ATOM 0 H TYR A 95 20.230 3.727 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 95 22.525 4.285 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 95 20.280 3.944 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 95 19.693 5.405 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 95 22.261 4.142 -6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 95 20.037 7.538 -4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 95 23.108 5.485 -8.271 1.00 0.00 H new ATOM 0 HE2 TYR A 95 20.886 8.882 -6.866 1.00 0.00 H new ATOM 0 HH TYR A 95 22.159 8.924 -8.700 1.00 0.00 H new ATOM 891 N ASN A 96 21.295 6.846 -2.058 1.00 0.00 N ATOM 892 CA ASN A 96 21.620 8.174 -1.555 1.00 0.00 C ATOM 893 C ASN A 96 22.926 8.114 -0.767 1.00 0.00 C ATOM 894 O ASN A 96 23.779 8.993 -0.879 1.00 0.00 O ATOM 895 CB ASN A 96 20.494 8.683 -0.652 1.00 0.00 C ATOM 896 CG ASN A 96 20.828 10.080 -0.140 1.00 0.00 C ATOM 897 OD1 ASN A 96 21.360 10.229 0.959 1.00 0.00 O ATOM 898 ND2 ASN A 96 20.542 11.119 -0.877 1.00 0.00 N ATOM 0 H ASN A 96 20.409 6.468 -1.724 1.00 0.00 H new ATOM 0 HA ASN A 96 21.734 8.858 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 96 19.555 8.704 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.354 8.002 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.760 12.057 -0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.101 10.992 -1.788 1.00 0.00 H new ATOM 905 N ASP A 97 23.059 7.070 0.041 1.00 0.00 N ATOM 906 CA ASP A 97 24.247 6.880 0.867 1.00 0.00 C ATOM 907 C ASP A 97 25.510 6.804 0.008 1.00 0.00 C ATOM 908 O ASP A 97 26.575 7.266 0.417 1.00 0.00 O ATOM 909 CB ASP A 97 24.109 5.602 1.694 1.00 0.00 C ATOM 910 CG ASP A 97 25.222 5.534 2.732 1.00 0.00 C ATOM 911 OD1 ASP A 97 25.271 6.414 3.576 1.00 0.00 O ATOM 912 OD2 ASP A 97 26.009 4.604 2.670 1.00 0.00 O ATOM 0 H ASP A 97 22.356 6.338 0.143 1.00 0.00 H new ATOM 0 HA ASP A 97 24.336 7.738 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 97 23.137 5.581 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 97 24.154 4.730 1.042 1.00 0.00 H new ATOM 917 N LYS A 98 25.389 6.216 -1.179 1.00 0.00 N ATOM 918 CA LYS A 98 26.536 6.086 -2.076 1.00 0.00 C ATOM 919 C LYS A 98 27.058 7.461 -2.480 1.00 0.00 C ATOM 920 O LYS A 98 28.087 7.572 -3.147 1.00 0.00 O ATOM 921 CB LYS A 98 26.146 5.309 -3.337 1.00 0.00 C ATOM 922 CG LYS A 98 25.859 3.848 -2.984 1.00 0.00 C ATOM 923 CD LYS A 98 25.481 3.087 -4.258 1.00 0.00 C ATOM 924 CE LYS A 98 25.205 1.621 -3.920 1.00 0.00 C ATOM 925 NZ LYS A 98 24.837 0.886 -5.163 1.00 0.00 N ATOM 0 H LYS A 98 24.519 5.825 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 98 27.318 5.544 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 98 25.266 5.761 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.950 5.363 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 98 26.736 3.394 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 98 25.049 3.789 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 98 24.599 3.537 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 98 26.288 3.156 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 98 26.087 1.169 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 98 24.398 1.550 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 24.649 -0.111 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 23.984 1.312 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 25.620 0.943 -5.845 1.00 0.00 H new ATOM 939 N ASN A 99 26.349 8.504 -2.067 1.00 0.00 N ATOM 940 CA ASN A 99 26.760 9.867 -2.389 1.00 0.00 C ATOM 941 C ASN A 99 28.127 10.169 -1.777 1.00 0.00 C ATOM 942 O ASN A 99 28.927 10.903 -2.357 1.00 0.00 O ATOM 943 CB ASN A 99 25.731 10.869 -1.864 1.00 0.00 C ATOM 944 CG ASN A 99 26.107 12.280 -2.304 1.00 0.00 C ATOM 945 OD1 ASN A 99 27.231 12.516 -2.746 1.00 0.00 O ATOM 946 ND2 ASN A 99 25.226 13.239 -2.208 1.00 0.00 N ATOM 0 H ASN A 99 25.495 8.435 -1.514 1.00 0.00 H new ATOM 0 HA ASN A 99 26.827 9.958 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 99 24.739 10.614 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 99 25.684 10.819 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 99 25.469 14.186 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 99 24.295 13.041 -1.841 1.00 0.00 H new ATOM 953 N GLY A 100 28.384 9.601 -0.600 1.00 0.00 N ATOM 954 CA GLY A 100 29.657 9.818 0.084 1.00 0.00 C ATOM 955 C GLY A 100 30.245 8.501 0.585 1.00 0.00 C ATOM 956 O GLY A 100 29.515 7.550 0.863 1.00 0.00 O ATOM 0 H GLY A 100 27.734 8.992 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 100 30.361 10.299 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 100 29.511 10.497 0.924 1.00 0.00 H new ATOM 960 N GLY A 101 31.571 8.456 0.696 1.00 0.00 N ATOM 961 CA GLY A 101 32.251 7.251 1.162 1.00 0.00 C ATOM 962 C GLY A 101 32.416 7.263 2.680 1.00 0.00 C ATOM 963 O GLY A 101 32.932 6.312 3.266 1.00 0.00 O ATOM 0 H GLY A 101 32.191 9.234 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 101 31.683 6.370 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 101 33.229 7.176 0.688 1.00 0.00 H new ATOM 967 N ALA A 102 31.962 8.336 3.314 1.00 0.00 N ATOM 968 CA ALA A 102 32.047 8.444 4.766 1.00 0.00 C ATOM 969 C ALA A 102 31.161 7.388 5.424 1.00 0.00 C ATOM 970 O ALA A 102 31.525 6.789 6.437 1.00 0.00 O ATOM 971 CB ALA A 102 31.606 9.838 5.215 1.00 0.00 C ATOM 0 H ALA A 102 31.534 9.138 2.851 1.00 0.00 H new ATOM 0 HA ALA A 102 33.081 8.281 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 102 31.673 9.909 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 102 32.254 10.588 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 102 30.576 10.012 4.903 1.00 0.00 H new ATOM 977 N ASN A 103 29.996 7.178 4.825 1.00 0.00 N ATOM 978 CA ASN A 103 29.035 6.201 5.328 1.00 0.00 C ATOM 979 C ASN A 103 29.522 4.770 5.113 1.00 0.00 C ATOM 980 O ASN A 103 29.278 3.892 5.942 1.00 0.00 O ATOM 981 CB ASN A 103 27.690 6.390 4.628 1.00 0.00 C ATOM 982 CG ASN A 103 27.054 7.705 5.068 1.00 0.00 C ATOM 983 OD1 ASN A 103 26.809 8.583 4.241 1.00 0.00 O ATOM 984 ND2 ASN A 103 26.774 7.894 6.328 1.00 0.00 N ATOM 0 H ASN A 103 29.691 7.673 3.987 1.00 0.00 H new ATOM 0 HA ASN A 103 28.925 6.365 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 103 27.830 6.388 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 103 27.027 5.558 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 103 26.351 8.771 6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 103 26.978 7.164 7.011 1.00 0.00 H new ATOM 991 N ARG A 104 30.195 4.534 3.990 1.00 0.00 N ATOM 992 CA ARG A 104 30.690 3.197 3.672 1.00 0.00 C ATOM 993 C ARG A 104 31.862 3.273 2.698 1.00 0.00 C ATOM 994 O ARG A 104 32.208 4.349 2.216 1.00 0.00 O ATOM 995 CB ARG A 104 29.559 2.352 3.077 1.00 0.00 C ATOM 996 CG ARG A 104 29.062 2.987 1.776 1.00 0.00 C ATOM 997 CD ARG A 104 27.908 2.153 1.215 1.00 0.00 C ATOM 998 NE ARG A 104 28.370 0.813 0.871 1.00 0.00 N ATOM 999 CZ ARG A 104 27.511 -0.143 0.538 1.00 0.00 C ATOM 1000 NH1 ARG A 104 27.943 -1.338 0.244 1.00 0.00 N ATOM 1001 NH2 ARG A 104 26.231 0.113 0.505 1.00 0.00 N ATOM 0 H ARG A 104 30.409 5.244 3.290 1.00 0.00 H new ATOM 0 HA ARG A 104 31.041 2.727 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 104 29.913 1.339 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 104 28.738 2.274 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 104 28.731 4.009 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 104 29.874 3.040 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 104 27.105 2.090 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 104 27.495 2.640 0.332 1.00 0.00 H new ATOM 0 HE ARG A 104 29.369 0.607 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 104 28.943 -1.540 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 104 27.281 -2.071 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 104 25.892 1.047 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.571 -0.621 0.249 1.00 0.00 H new ATOM 1015 N LYS A 105 32.464 2.126 2.402 1.00 0.00 N ATOM 1016 CA LYS A 105 33.587 2.085 1.478 1.00 0.00 C ATOM 1017 C LYS A 105 33.101 2.239 0.043 1.00 0.00 C ATOM 1018 O LYS A 105 31.908 2.423 -0.203 1.00 0.00 O ATOM 1019 CB LYS A 105 34.350 0.765 1.636 1.00 0.00 C ATOM 1020 CG LYS A 105 33.433 -0.414 1.293 1.00 0.00 C ATOM 1021 CD LYS A 105 34.198 -1.724 1.481 1.00 0.00 C ATOM 1022 CE LYS A 105 33.286 -2.904 1.139 1.00 0.00 C ATOM 1023 NZ LYS A 105 34.036 -4.180 1.315 1.00 0.00 N ATOM 0 H LYS A 105 32.195 1.220 2.786 1.00 0.00 H new ATOM 0 HA LYS A 105 34.258 2.913 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 105 35.223 0.759 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 105 34.716 0.667 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 105 32.550 -0.401 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 105 33.083 -0.329 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 105 35.081 -1.736 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 105 34.548 -1.808 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 105 32.406 -2.895 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 105 32.931 -2.817 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.416 -4.982 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 34.862 -4.187 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 34.354 -4.263 2.302 1.00 0.00 H new ATOM 1037 N VAL A 106 34.028 2.162 -0.900 1.00 0.00 N ATOM 1038 CA VAL A 106 33.685 2.292 -2.309 1.00 0.00 C ATOM 1039 C VAL A 106 32.620 1.271 -2.698 1.00 0.00 C ATOM 1040 O VAL A 106 31.716 1.573 -3.479 1.00 0.00 O ATOM 1041 CB VAL A 106 34.933 2.072 -3.158 1.00 0.00 C ATOM 1042 CG1 VAL A 106 35.444 0.647 -2.938 1.00 0.00 C ATOM 1043 CG2 VAL A 106 34.586 2.268 -4.635 1.00 0.00 C ATOM 0 H VAL A 106 35.020 2.011 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 106 33.290 3.293 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 106 35.704 2.787 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 106 36.336 0.483 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 106 35.688 0.506 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 106 34.672 -0.065 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 106 35.478 2.111 -5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 106 33.818 1.552 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 106 34.215 3.281 -4.790 1.00 0.00 H new ATOM 1053 N ASN A 107 32.732 0.065 -2.153 1.00 0.00 N ATOM 1054 CA ASN A 107 31.776 -0.995 -2.451 1.00 0.00 C ATOM 1055 C ASN A 107 31.846 -1.388 -3.923 1.00 0.00 C ATOM 1056 O ASN A 107 32.286 -2.487 -4.260 1.00 0.00 O ATOM 1057 CB ASN A 107 30.359 -0.531 -2.111 1.00 0.00 C ATOM 1058 CG ASN A 107 29.445 -1.737 -1.934 1.00 0.00 C ATOM 1059 OD1 ASN A 107 29.874 -2.774 -1.427 1.00 0.00 O ATOM 1060 ND2 ASN A 107 28.201 -1.664 -2.322 1.00 0.00 N ATOM 0 H ASN A 107 33.473 -0.203 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 107 32.029 -1.865 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 107 30.371 0.064 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 107 29.978 0.112 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 107 27.582 -2.467 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 107 27.847 -0.804 -2.742 1.00 0.00 H new ATOM 1067 N ASP A 108 31.411 -0.484 -4.793 1.00 0.00 N ATOM 1068 CA ASP A 108 31.430 -0.750 -6.227 1.00 0.00 C ATOM 1069 C ASP A 108 32.843 -0.592 -6.781 1.00 0.00 C ATOM 1070 O ASP A 108 33.168 0.497 -7.221 1.00 0.00 O ATOM 1071 CB ASP A 108 30.487 0.213 -6.949 1.00 0.00 C ATOM 1072 CG ASP A 108 30.492 -0.077 -8.447 1.00 0.00 C ATOM 1073 OD1 ASP A 108 31.279 -0.909 -8.868 1.00 0.00 O ATOM 1074 OD2 ASP A 108 29.709 0.538 -9.152 1.00 0.00 O ATOM 0 H ASP A 108 31.044 0.432 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 108 31.098 -1.775 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 108 29.476 0.110 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 108 30.797 1.242 -6.768 1.00 0.00 H new TER 1079 ASP A 108