USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 164 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.148) USER MOD Single : A 18 GLN : amide:sc= 0.0154 X(o=0.015,f=-0.063) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0213 K(o=-0.021,f=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.13) USER MOD Single : A 41 SER OG : rot -74:sc= 1.18 USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.864 USER MOD Single : A 44 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 45 ASN : amide:sc= -0.222 K(o=-0.22,f=-1) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 50 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.73) USER MOD Single : A 52 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 56 GLN : amide:sc= -1.99! C(o=-2!,f=-5.5!) USER MOD Single : A 57 ASN : amide:sc= -0.253 K(o=-0.25,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= -0.149 (180deg=-0.791) USER MOD Single : A 71 THR OG1 : rot 70:sc= 0.444 USER MOD Single : A 72 THR OG1 : rot -34:sc= 1.1 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 10 -10.029 -10.172 8.293 1.00 10.00 N ATOM 37 CA LYS A 10 -10.649 -9.049 7.602 1.00 10.00 C ATOM 38 C LYS A 10 -10.320 -9.123 6.114 1.00 10.00 C ATOM 39 O LYS A 10 -10.063 -10.211 5.592 1.00 10.00 O ATOM 40 CB LYS A 10 -10.127 -7.729 8.185 1.00 10.00 C ATOM 41 CG LYS A 10 -10.874 -7.244 9.419 1.00 10.00 C ATOM 42 CD LYS A 10 -10.011 -6.307 10.250 1.00 10.00 C ATOM 43 CE LYS A 10 -10.815 -5.662 11.364 1.00 10.00 C ATOM 44 NZ LYS A 10 -9.939 -5.019 12.377 1.00 10.00 N ATOM 0 HA LYS A 10 -11.730 -9.094 7.735 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -9.074 -7.850 8.438 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -10.184 -6.959 7.416 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -11.787 -6.730 9.117 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -11.175 -8.099 10.025 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -9.174 -6.861 10.676 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -9.588 -5.534 9.609 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -11.489 -4.917 10.941 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -11.436 -6.416 11.847 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -10.526 -4.590 13.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -9.313 -5.734 12.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -9.364 -4.282 11.921 1.00 10.00 H new ATOM 49 N ARG A 11 -10.319 -7.970 5.446 1.00 10.00 N ATOM 50 CA ARG A 11 -10.007 -7.895 4.019 1.00 10.00 C ATOM 51 C ARG A 11 -8.662 -8.563 3.750 1.00 10.00 C ATOM 52 O ARG A 11 -7.629 -8.124 4.259 1.00 10.00 O ATOM 53 CB ARG A 11 -9.959 -6.428 3.569 1.00 10.00 C ATOM 54 CG ARG A 11 -10.041 -6.224 2.063 1.00 10.00 C ATOM 55 CD ARG A 11 -9.754 -4.776 1.694 1.00 10.00 C ATOM 56 NE ARG A 11 -10.114 -4.469 0.307 1.00 10.00 N ATOM 57 CZ ARG A 11 -9.233 -4.132 -0.636 1.00 10.00 C ATOM 58 NH1 ARG A 11 -7.932 -4.133 -0.361 1.00 10.00 N ATOM 59 NH2 ARG A 11 -9.655 -3.809 -1.855 1.00 10.00 N ATOM 0 H ARG A 11 -10.532 -7.069 5.874 1.00 10.00 H new ATOM 0 HA ARG A 11 -10.784 -8.413 3.457 1.00 10.00 H new ATOM 0 HB2 ARG A 11 -10.781 -5.890 4.041 1.00 10.00 H new ATOM 0 HB3 ARG A 11 -9.034 -5.980 3.933 1.00 10.00 H new ATOM 0 HG2 ARG A 11 -9.327 -6.879 1.564 1.00 10.00 H new ATOM 0 HG3 ARG A 11 -11.033 -6.504 1.708 1.00 10.00 H new ATOM 0 HD2 ARG A 11 -10.307 -4.117 2.364 1.00 10.00 H new ATOM 0 HD3 ARG A 11 -8.695 -4.569 1.846 1.00 10.00 H new ATOM 0 HE ARG A 11 -11.099 -4.516 0.047 1.00 10.00 H new ATOM 0 HH11 ARG A 11 -7.608 -4.391 0.571 1.00 10.00 H new ATOM 0 HH12 ARG A 11 -7.258 -3.875 -1.082 1.00 10.00 H new ATOM 0 HH21 ARG A 11 -10.652 -3.819 -2.069 1.00 10.00 H new ATOM 0 HH22 ARG A 11 -8.981 -3.551 -2.576 1.00 10.00 H new ATOM 66 N VAL A 12 -8.682 -9.634 2.971 1.00 10.00 N ATOM 67 CA VAL A 12 -7.464 -10.367 2.653 1.00 10.00 C ATOM 68 C VAL A 12 -6.619 -9.621 1.628 1.00 10.00 C ATOM 69 O VAL A 12 -7.149 -9.003 0.707 1.00 10.00 O ATOM 70 CB VAL A 12 -7.757 -11.796 2.137 1.00 10.00 C ATOM 71 CG1 VAL A 12 -8.095 -12.728 3.290 1.00 10.00 C ATOM 72 CG2 VAL A 12 -8.876 -11.787 1.104 1.00 10.00 C ATOM 0 H VAL A 12 -9.528 -10.016 2.547 1.00 10.00 H new ATOM 0 HA VAL A 12 -6.906 -10.449 3.586 1.00 10.00 H new ATOM 0 HB VAL A 12 -6.855 -12.168 1.651 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -8.297 -13.727 2.903 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -7.254 -12.770 3.982 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -8.976 -12.356 3.812 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -9.061 -12.804 0.759 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -9.784 -11.386 1.555 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -8.585 -11.164 0.258 1.00 10.00 H new ATOM 74 N PRO A 13 -5.291 -9.652 1.798 1.00 10.00 N ATOM 75 CA PRO A 13 -4.362 -8.998 0.880 1.00 10.00 C ATOM 76 C PRO A 13 -4.071 -9.886 -0.326 1.00 10.00 C ATOM 77 O PRO A 13 -4.479 -11.054 -0.355 1.00 10.00 O ATOM 78 CB PRO A 13 -3.101 -8.846 1.731 1.00 10.00 C ATOM 79 CG PRO A 13 -3.133 -10.011 2.663 1.00 10.00 C ATOM 80 CD PRO A 13 -4.589 -10.319 2.911 1.00 10.00 C ATOM 0 HA PRO A 13 -4.745 -8.059 0.482 1.00 10.00 H new ATOM 0 HB2 PRO A 13 -2.203 -8.857 1.114 1.00 10.00 H new ATOM 0 HB3 PRO A 13 -3.102 -7.902 2.276 1.00 10.00 H new ATOM 0 HG2 PRO A 13 -2.623 -10.870 2.228 1.00 10.00 H new ATOM 0 HG3 PRO A 13 -2.621 -9.776 3.596 1.00 10.00 H new ATOM 0 HD2 PRO A 13 -4.775 -11.393 2.913 1.00 10.00 H new ATOM 0 HD3 PRO A 13 -4.919 -9.936 3.877 1.00 10.00 H new ATOM 81 N TYR A 14 -3.368 -9.329 -1.310 1.00 10.00 N ATOM 82 CA TYR A 14 -3.014 -10.061 -2.526 1.00 10.00 C ATOM 83 C TYR A 14 -2.352 -11.401 -2.212 1.00 10.00 C ATOM 84 O TYR A 14 -2.918 -12.461 -2.483 1.00 10.00 O ATOM 85 CB TYR A 14 -2.087 -9.223 -3.406 1.00 10.00 C ATOM 86 CG TYR A 14 -2.773 -8.516 -4.553 1.00 10.00 C ATOM 87 CD1 TYR A 14 -3.891 -7.724 -4.336 1.00 10.00 C ATOM 88 CD2 TYR A 14 -2.292 -8.631 -5.852 1.00 10.00 C ATOM 89 CE1 TYR A 14 -4.511 -7.064 -5.380 1.00 10.00 C ATOM 90 CE2 TYR A 14 -2.908 -7.977 -6.900 1.00 10.00 C ATOM 91 CZ TYR A 14 -4.015 -7.193 -6.658 1.00 10.00 C ATOM 92 OH TYR A 14 -4.624 -6.530 -7.703 1.00 10.00 O ATOM 0 H TYR A 14 -3.030 -8.367 -1.289 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.942 -10.260 -3.062 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -1.591 -8.479 -2.783 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -1.308 -9.870 -3.810 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -4.283 -7.621 -3.335 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.422 -9.242 -6.044 1.00 10.00 H new ATOM 0 HE1 TYR A 14 -5.380 -6.450 -5.194 1.00 10.00 H new ATOM 0 HE2 TYR A 14 -2.524 -8.079 -7.904 1.00 10.00 H new ATOM 0 HH TYR A 14 -4.149 -6.727 -8.537 1.00 10.00 H new ATOM 95 N THR A 15 -1.139 -11.356 -1.673 1.00 10.00 N ATOM 96 CA THR A 15 -0.413 -12.571 -1.327 1.00 10.00 C ATOM 97 C THR A 15 0.584 -12.304 -0.200 1.00 10.00 C ATOM 98 O THR A 15 1.280 -11.290 -0.201 1.00 10.00 O ATOM 99 CB THR A 15 0.332 -13.156 -2.548 1.00 10.00 C ATOM 100 OG1 THR A 15 -0.387 -12.837 -3.748 1.00 10.00 O ATOM 101 CG2 THR A 15 0.439 -14.670 -2.427 1.00 10.00 C ATOM 0 H THR A 15 -0.638 -10.492 -1.466 1.00 10.00 H new ATOM 0 HA THR A 15 -1.150 -13.301 -0.991 1.00 10.00 H new ATOM 0 HB THR A 15 1.332 -12.725 -2.584 1.00 10.00 H new ATOM 0 HG1 THR A 15 0.087 -13.207 -4.522 1.00 10.00 H new ATOM 0 HG21 THR A 15 0.966 -15.068 -3.294 1.00 10.00 H new ATOM 0 HG22 THR A 15 0.988 -14.925 -1.520 1.00 10.00 H new ATOM 0 HG23 THR A 15 -0.560 -15.103 -2.380 1.00 10.00 H new ATOM 104 N LYS A 16 0.641 -13.219 0.760 1.00 10.00 N ATOM 105 CA LYS A 16 1.545 -13.092 1.898 1.00 10.00 C ATOM 106 C LYS A 16 3.008 -13.095 1.463 1.00 10.00 C ATOM 107 O LYS A 16 3.822 -12.336 1.990 1.00 10.00 O ATOM 108 CB LYS A 16 1.278 -14.182 2.941 1.00 10.00 C ATOM 109 CG LYS A 16 1.147 -15.592 2.379 1.00 10.00 C ATOM 110 CD LYS A 16 0.874 -16.603 3.481 1.00 10.00 C ATOM 111 CE LYS A 16 -0.478 -16.362 4.142 1.00 10.00 C ATOM 112 NZ LYS A 16 -1.606 -16.574 3.199 1.00 10.00 N ATOM 0 H LYS A 16 0.068 -14.063 0.773 1.00 10.00 H new ATOM 0 HA LYS A 16 1.346 -12.126 2.362 1.00 10.00 H new ATOM 0 HB2 LYS A 16 2.088 -14.172 3.671 1.00 10.00 H new ATOM 0 HB3 LYS A 16 0.362 -13.934 3.477 1.00 10.00 H new ATOM 0 HG2 LYS A 16 0.339 -15.621 1.648 1.00 10.00 H new ATOM 0 HG3 LYS A 16 2.063 -15.863 1.853 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.902 -17.611 3.066 1.00 10.00 H new ATOM 0 HD3 LYS A 16 1.662 -16.545 4.232 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.588 -17.031 4.995 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.516 -15.344 4.529 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.501 -16.601 3.728 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -1.634 -15.795 2.511 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -1.474 -17.475 2.697 1.00 10.00 H new ATOM 117 N VAL A 17 3.335 -13.936 0.484 1.00 10.00 N ATOM 118 CA VAL A 17 4.703 -14.020 -0.014 1.00 10.00 C ATOM 119 C VAL A 17 5.088 -12.740 -0.751 1.00 10.00 C ATOM 120 O VAL A 17 6.258 -12.364 -0.796 1.00 10.00 O ATOM 121 CB VAL A 17 4.927 -15.251 -0.920 1.00 10.00 C ATOM 122 CG1 VAL A 17 4.721 -16.534 -0.129 1.00 10.00 C ATOM 123 CG2 VAL A 17 4.010 -15.219 -2.133 1.00 10.00 C ATOM 0 H VAL A 17 2.676 -14.564 0.024 1.00 10.00 H new ATOM 0 HA VAL A 17 5.349 -14.139 0.856 1.00 10.00 H new ATOM 0 HB VAL A 17 5.956 -15.221 -1.280 1.00 10.00 H new ATOM 0 HG11 VAL A 17 4.882 -17.393 -0.780 1.00 10.00 H new ATOM 0 HG12 VAL A 17 5.429 -16.569 0.699 1.00 10.00 H new ATOM 0 HG13 VAL A 17 3.704 -16.561 0.262 1.00 10.00 H new ATOM 0 HG21 VAL A 17 4.192 -16.099 -2.750 1.00 10.00 H new ATOM 0 HG22 VAL A 17 2.971 -15.216 -1.804 1.00 10.00 H new ATOM 0 HG23 VAL A 17 4.209 -14.319 -2.716 1.00 10.00 H new ATOM 125 N GLN A 18 4.088 -12.063 -1.304 1.00 10.00 N ATOM 126 CA GLN A 18 4.307 -10.815 -2.021 1.00 10.00 C ATOM 127 C GLN A 18 4.710 -9.731 -1.029 1.00 10.00 C ATOM 128 O GLN A 18 5.677 -8.998 -1.242 1.00 10.00 O ATOM 129 CB GLN A 18 3.026 -10.407 -2.752 1.00 10.00 C ATOM 130 CG GLN A 18 3.099 -9.069 -3.468 1.00 10.00 C ATOM 131 CD GLN A 18 1.729 -8.558 -3.857 1.00 10.00 C ATOM 132 OE1 GLN A 18 1.084 -7.850 -3.094 1.00 10.00 O ATOM 133 NE2 GLN A 18 1.270 -8.926 -5.044 1.00 10.00 N ATOM 0 H GLN A 18 3.113 -12.361 -1.268 1.00 10.00 H new ATOM 0 HA GLN A 18 5.103 -10.948 -2.754 1.00 10.00 H new ATOM 0 HB2 GLN A 18 2.778 -11.180 -3.480 1.00 10.00 H new ATOM 0 HB3 GLN A 18 2.208 -10.374 -2.032 1.00 10.00 H new ATOM 0 HG2 GLN A 18 3.588 -8.339 -2.823 1.00 10.00 H new ATOM 0 HG3 GLN A 18 3.716 -9.169 -4.361 1.00 10.00 H new ATOM 0 HE21 GLN A 18 1.839 -9.517 -5.650 1.00 10.00 H new ATOM 0 HE22 GLN A 18 0.347 -8.618 -5.352 1.00 10.00 H new ATOM 137 N LEU A 19 3.967 -9.657 0.070 1.00 10.00 N ATOM 138 CA LEU A 19 4.239 -8.680 1.114 1.00 10.00 C ATOM 139 C LEU A 19 5.599 -8.949 1.745 1.00 10.00 C ATOM 140 O LEU A 19 6.367 -8.022 2.005 1.00 10.00 O ATOM 141 CB LEU A 19 3.146 -8.706 2.189 1.00 10.00 C ATOM 142 CG LEU A 19 1.995 -7.705 2.023 1.00 10.00 C ATOM 143 CD1 LEU A 19 2.519 -6.287 1.850 1.00 10.00 C ATOM 144 CD2 LEU A 19 1.087 -8.093 0.866 1.00 10.00 C ATOM 0 H LEU A 19 3.170 -10.264 0.260 1.00 10.00 H new ATOM 0 HA LEU A 19 4.247 -7.690 0.658 1.00 10.00 H new ATOM 0 HB2 LEU A 19 2.723 -9.710 2.220 1.00 10.00 H new ATOM 0 HB3 LEU A 19 3.615 -8.528 3.156 1.00 10.00 H new ATOM 0 HG LEU A 19 1.402 -7.734 2.937 1.00 10.00 H new ATOM 0 HD11 LEU A 19 1.680 -5.601 1.735 1.00 10.00 H new ATOM 0 HD12 LEU A 19 3.101 -6.005 2.727 1.00 10.00 H new ATOM 0 HD13 LEU A 19 3.152 -6.239 0.964 1.00 10.00 H new ATOM 0 HD21 LEU A 19 0.282 -7.364 0.775 1.00 10.00 H new ATOM 0 HD22 LEU A 19 1.664 -8.113 -0.058 1.00 10.00 H new ATOM 0 HD23 LEU A 19 0.663 -9.080 1.051 1.00 10.00 H new ATOM 146 N LYS A 20 5.896 -10.226 1.972 1.00 10.00 N ATOM 147 CA LYS A 20 7.169 -10.623 2.562 1.00 10.00 C ATOM 148 C LYS A 20 8.337 -10.189 1.676 1.00 10.00 C ATOM 149 O LYS A 20 9.356 -9.703 2.173 1.00 10.00 O ATOM 150 CB LYS A 20 7.218 -12.134 2.805 1.00 10.00 C ATOM 151 CG LYS A 20 8.460 -12.595 3.552 1.00 10.00 C ATOM 152 CD LYS A 20 8.542 -14.109 3.620 1.00 10.00 C ATOM 153 CE LYS A 20 9.833 -14.559 4.287 1.00 10.00 C ATOM 154 NZ LYS A 20 9.993 -16.037 4.246 1.00 10.00 N ATOM 0 H LYS A 20 5.271 -11.003 1.756 1.00 10.00 H new ATOM 0 HA LYS A 20 7.259 -10.120 3.525 1.00 10.00 H new ATOM 0 HB2 LYS A 20 6.334 -12.431 3.370 1.00 10.00 H new ATOM 0 HB3 LYS A 20 7.170 -12.649 1.845 1.00 10.00 H new ATOM 0 HG2 LYS A 20 9.349 -12.204 3.057 1.00 10.00 H new ATOM 0 HG3 LYS A 20 8.451 -12.185 4.562 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.688 -14.498 4.175 1.00 10.00 H new ATOM 0 HD3 LYS A 20 8.485 -14.525 2.614 1.00 10.00 H new ATOM 0 HE2 LYS A 20 10.681 -14.088 3.790 1.00 10.00 H new ATOM 0 HE3 LYS A 20 9.843 -14.221 5.323 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 10.885 -16.303 4.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 9.197 -16.486 4.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 10.009 -16.357 3.257 1.00 10.00 H new ATOM 159 N GLU A 21 8.176 -10.360 0.365 1.00 10.00 N ATOM 160 CA GLU A 21 9.209 -9.981 -0.593 1.00 10.00 C ATOM 161 C GLU A 21 9.437 -8.475 -0.549 1.00 10.00 C ATOM 162 O GLU A 21 10.577 -8.011 -0.479 1.00 10.00 O ATOM 163 CB GLU A 21 8.826 -10.427 -2.009 1.00 10.00 C ATOM 164 CG GLU A 21 9.939 -10.272 -3.036 1.00 10.00 C ATOM 165 CD GLU A 21 10.999 -11.354 -2.937 1.00 10.00 C ATOM 166 OE1 GLU A 21 11.263 -11.843 -1.817 1.00 10.00 O ATOM 167 OE2 GLU A 21 11.582 -11.718 -3.978 1.00 10.00 O ATOM 0 H GLU A 21 7.338 -10.759 -0.057 1.00 10.00 H new ATOM 0 HA GLU A 21 10.137 -10.483 -0.320 1.00 10.00 H new ATOM 0 HB2 GLU A 21 8.519 -11.472 -1.978 1.00 10.00 H new ATOM 0 HB3 GLU A 21 7.961 -9.851 -2.338 1.00 10.00 H new ATOM 0 HG2 GLU A 21 9.506 -10.287 -4.036 1.00 10.00 H new ATOM 0 HG3 GLU A 21 10.410 -9.298 -2.907 1.00 10.00 H new ATOM 169 N LEU A 22 8.340 -7.721 -0.554 1.00 10.00 N ATOM 170 CA LEU A 22 8.403 -6.267 -0.500 1.00 10.00 C ATOM 171 C LEU A 22 9.119 -5.830 0.778 1.00 10.00 C ATOM 172 O LEU A 22 9.933 -4.906 0.767 1.00 10.00 O ATOM 173 CB LEU A 22 6.984 -5.683 -0.537 1.00 10.00 C ATOM 174 CG LEU A 22 6.754 -4.468 -1.444 1.00 10.00 C ATOM 175 CD1 LEU A 22 7.462 -3.235 -0.899 1.00 10.00 C ATOM 176 CD2 LEU A 22 7.192 -4.763 -2.872 1.00 10.00 C ATOM 0 H LEU A 22 7.393 -8.098 -0.595 1.00 10.00 H new ATOM 0 HA LEU A 22 8.959 -5.898 -1.362 1.00 10.00 H new ATOM 0 HB2 LEU A 22 6.301 -6.473 -0.849 1.00 10.00 H new ATOM 0 HB3 LEU A 22 6.706 -5.404 0.479 1.00 10.00 H new ATOM 0 HG LEU A 22 5.684 -4.259 -1.458 1.00 10.00 H new ATOM 0 HD11 LEU A 22 7.282 -2.389 -1.562 1.00 10.00 H new ATOM 0 HD12 LEU A 22 7.079 -3.005 0.095 1.00 10.00 H new ATOM 0 HD13 LEU A 22 8.533 -3.427 -0.839 1.00 10.00 H new ATOM 0 HD21 LEU A 22 7.018 -3.885 -3.495 1.00 10.00 H new ATOM 0 HD22 LEU A 22 8.253 -5.011 -2.883 1.00 10.00 H new ATOM 0 HD23 LEU A 22 6.618 -5.604 -3.262 1.00 10.00 H new ATOM 178 N GLU A 23 8.815 -6.518 1.875 1.00 10.00 N ATOM 179 CA GLU A 23 9.418 -6.231 3.172 1.00 10.00 C ATOM 180 C GLU A 23 10.936 -6.387 3.127 1.00 10.00 C ATOM 181 O GLU A 23 11.668 -5.566 3.675 1.00 10.00 O ATOM 182 CB GLU A 23 8.840 -7.170 4.233 1.00 10.00 C ATOM 183 CG GLU A 23 7.642 -6.614 4.986 1.00 10.00 C ATOM 184 CD GLU A 23 8.044 -5.903 6.261 1.00 10.00 C ATOM 185 OE1 GLU A 23 8.535 -4.760 6.178 1.00 10.00 O ATOM 186 OE2 GLU A 23 7.879 -6.490 7.353 1.00 10.00 O ATOM 0 H GLU A 23 8.146 -7.288 1.890 1.00 10.00 H new ATOM 0 HA GLU A 23 9.188 -5.197 3.427 1.00 10.00 H new ATOM 0 HB2 GLU A 23 8.549 -8.104 3.753 1.00 10.00 H new ATOM 0 HB3 GLU A 23 9.624 -7.412 4.951 1.00 10.00 H new ATOM 0 HG2 GLU A 23 7.100 -5.921 4.342 1.00 10.00 H new ATOM 0 HG3 GLU A 23 6.957 -7.427 5.227 1.00 10.00 H new ATOM 188 N ARG A 24 11.401 -7.433 2.452 1.00 10.00 N ATOM 189 CA ARG A 24 12.833 -7.702 2.349 1.00 10.00 C ATOM 190 C ARG A 24 13.560 -6.581 1.606 1.00 10.00 C ATOM 191 O ARG A 24 14.589 -6.086 2.068 1.00 10.00 O ATOM 192 CB ARG A 24 13.088 -9.048 1.668 1.00 10.00 C ATOM 193 CG ARG A 24 13.684 -10.103 2.588 1.00 10.00 C ATOM 194 CD ARG A 24 12.647 -11.134 3.016 1.00 10.00 C ATOM 195 NE ARG A 24 11.500 -10.525 3.690 1.00 10.00 N ATOM 196 CZ ARG A 24 11.288 -10.576 5.005 1.00 10.00 C ATOM 197 NH1 ARG A 24 12.133 -11.225 5.796 1.00 10.00 N ATOM 198 NH2 ARG A 24 10.219 -9.987 5.530 1.00 10.00 N ATOM 0 H ARG A 24 10.809 -8.108 1.968 1.00 10.00 H new ATOM 0 HA ARG A 24 13.231 -7.746 3.363 1.00 10.00 H new ATOM 0 HB2 ARG A 24 12.148 -9.423 1.263 1.00 10.00 H new ATOM 0 HB3 ARG A 24 13.760 -8.895 0.824 1.00 10.00 H new ATOM 0 HG2 ARG A 24 14.507 -10.605 2.079 1.00 10.00 H new ATOM 0 HG3 ARG A 24 14.102 -9.620 3.471 1.00 10.00 H new ATOM 0 HD2 ARG A 24 12.301 -11.682 2.140 1.00 10.00 H new ATOM 0 HD3 ARG A 24 13.113 -11.859 3.683 1.00 10.00 H new ATOM 0 HE ARG A 24 10.818 -10.029 3.116 1.00 10.00 H new ATOM 0 HH11 ARG A 24 12.950 -11.688 5.398 1.00 10.00 H new ATOM 0 HH12 ARG A 24 11.965 -11.260 6.802 1.00 10.00 H new ATOM 0 HH21 ARG A 24 9.560 -9.495 4.927 1.00 10.00 H new ATOM 0 HH22 ARG A 24 10.058 -10.027 6.536 1.00 10.00 H new ATOM 205 N GLU A 25 13.010 -6.175 0.467 1.00 10.00 N ATOM 206 CA GLU A 25 13.604 -5.109 -0.335 1.00 10.00 C ATOM 207 C GLU A 25 13.559 -3.776 0.413 1.00 10.00 C ATOM 208 O GLU A 25 14.507 -2.987 0.368 1.00 10.00 O ATOM 209 CB GLU A 25 12.869 -4.984 -1.671 1.00 10.00 C ATOM 210 CG GLU A 25 12.843 -6.266 -2.492 1.00 10.00 C ATOM 211 CD GLU A 25 14.110 -6.486 -3.293 1.00 10.00 C ATOM 212 OE1 GLU A 25 14.447 -5.628 -4.139 1.00 10.00 O ATOM 213 OE2 GLU A 25 14.773 -7.519 -3.098 1.00 10.00 O ATOM 0 H GLU A 25 12.153 -6.568 0.077 1.00 10.00 H new ATOM 0 HA GLU A 25 14.647 -5.363 -0.523 1.00 10.00 H new ATOM 0 HB2 GLU A 25 11.844 -4.667 -1.480 1.00 10.00 H new ATOM 0 HB3 GLU A 25 13.341 -4.198 -2.260 1.00 10.00 H new ATOM 0 HG2 GLU A 25 12.690 -7.114 -1.825 1.00 10.00 H new ATOM 0 HG3 GLU A 25 11.991 -6.238 -3.172 1.00 10.00 H new ATOM 215 N TYR A 26 12.454 -3.544 1.114 1.00 10.00 N ATOM 216 CA TYR A 26 12.266 -2.320 1.880 1.00 10.00 C ATOM 217 C TYR A 26 13.255 -2.251 3.038 1.00 10.00 C ATOM 218 O TYR A 26 13.730 -1.175 3.399 1.00 10.00 O ATOM 219 CB TYR A 26 10.829 -2.240 2.408 1.00 10.00 C ATOM 220 CG TYR A 26 10.407 -0.857 2.856 1.00 10.00 C ATOM 221 CD1 TYR A 26 9.840 0.039 1.959 1.00 10.00 C ATOM 222 CD2 TYR A 26 10.575 -0.447 4.173 1.00 10.00 C ATOM 223 CE1 TYR A 26 9.451 1.302 2.359 1.00 10.00 C ATOM 224 CE2 TYR A 26 10.188 0.816 4.582 1.00 10.00 C ATOM 225 CZ TYR A 26 9.627 1.686 3.672 1.00 10.00 C ATOM 226 OH TYR A 26 9.234 2.943 4.074 1.00 10.00 O ATOM 0 H TYR A 26 11.670 -4.194 1.166 1.00 10.00 H new ATOM 0 HA TYR A 26 12.448 -1.472 1.220 1.00 10.00 H new ATOM 0 HB2 TYR A 26 10.148 -2.580 1.628 1.00 10.00 H new ATOM 0 HB3 TYR A 26 10.723 -2.929 3.246 1.00 10.00 H new ATOM 0 HD1 TYR A 26 9.701 -0.258 0.930 1.00 10.00 H new ATOM 0 HD2 TYR A 26 11.015 -1.126 4.889 1.00 10.00 H new ATOM 0 HE1 TYR A 26 9.011 1.985 1.648 1.00 10.00 H new ATOM 0 HE2 TYR A 26 10.325 1.119 5.610 1.00 10.00 H new ATOM 0 HH TYR A 26 9.426 3.056 5.028 1.00 10.00 H new ATOM 229 N ALA A 27 13.574 -3.411 3.603 1.00 10.00 N ATOM 230 CA ALA A 27 14.506 -3.496 4.720 1.00 10.00 C ATOM 231 C ALA A 27 15.943 -3.233 4.278 1.00 10.00 C ATOM 232 O ALA A 27 16.814 -2.951 5.104 1.00 10.00 O ATOM 233 CB ALA A 27 14.400 -4.854 5.401 1.00 10.00 C ATOM 0 H ALA A 27 13.198 -4.310 3.303 1.00 10.00 H new ATOM 0 HA ALA A 27 14.233 -2.720 5.435 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.103 -4.900 6.233 1.00 10.00 H new ATOM 0 HB2 ALA A 27 13.386 -4.995 5.775 1.00 10.00 H new ATOM 0 HB3 ALA A 27 14.635 -5.640 4.684 1.00 10.00 H new ATOM 235 N THR A 28 16.192 -3.333 2.978 1.00 10.00 N ATOM 236 CA THR A 28 17.524 -3.098 2.440 1.00 10.00 C ATOM 237 C THR A 28 17.826 -1.598 2.410 1.00 10.00 C ATOM 238 O THR A 28 18.941 -1.173 2.704 1.00 10.00 O ATOM 239 CB THR A 28 17.670 -3.704 1.030 1.00 10.00 C ATOM 240 OG1 THR A 28 17.140 -5.039 1.039 1.00 10.00 O ATOM 241 CG2 THR A 28 19.133 -3.758 0.617 1.00 10.00 C ATOM 0 H THR A 28 15.490 -3.575 2.279 1.00 10.00 H new ATOM 0 HA THR A 28 18.245 -3.590 3.093 1.00 10.00 H new ATOM 0 HB THR A 28 17.126 -3.080 0.321 1.00 10.00 H new ATOM 0 HG1 THR A 28 17.227 -5.432 0.145 1.00 10.00 H new ATOM 0 HG21 THR A 28 19.214 -4.189 -0.381 1.00 10.00 H new ATOM 0 HG22 THR A 28 19.547 -2.750 0.611 1.00 10.00 H new ATOM 0 HG23 THR A 28 19.688 -4.374 1.324 1.00 10.00 H new ATOM 244 N ASN A 29 16.813 -0.804 2.076 1.00 10.00 N ATOM 245 CA ASN A 29 16.953 0.648 2.022 1.00 10.00 C ATOM 246 C ASN A 29 15.606 1.315 2.259 1.00 10.00 C ATOM 247 O ASN A 29 15.339 1.821 3.349 1.00 10.00 O ATOM 248 CB ASN A 29 17.557 1.100 0.683 1.00 10.00 C ATOM 249 CG ASN A 29 17.430 2.597 0.444 1.00 10.00 C ATOM 250 OD1 ASN A 29 16.541 3.045 -0.282 1.00 10.00 O ATOM 251 ND2 ASN A 29 18.310 3.379 1.054 1.00 10.00 N ATOM 0 H ASN A 29 15.881 -1.144 1.837 1.00 10.00 H new ATOM 0 HA ASN A 29 17.638 0.954 2.813 1.00 10.00 H new ATOM 0 HB2 ASN A 29 18.611 0.822 0.655 1.00 10.00 H new ATOM 0 HB3 ASN A 29 17.064 0.566 -0.129 1.00 10.00 H new ATOM 0 HD21 ASN A 29 18.266 4.390 0.930 1.00 10.00 H new ATOM 0 HD22 ASN A 29 19.031 2.969 1.647 1.00 10.00 H new ATOM 255 N LYS A 30 14.767 1.287 1.235 1.00 10.00 N ATOM 256 CA LYS A 30 13.426 1.863 1.282 1.00 10.00 C ATOM 257 C LYS A 30 12.795 1.720 -0.091 1.00 10.00 C ATOM 258 O LYS A 30 11.695 1.195 -0.235 1.00 10.00 O ATOM 259 CB LYS A 30 13.438 3.347 1.685 1.00 10.00 C ATOM 260 CG LYS A 30 12.076 3.856 2.144 1.00 10.00 C ATOM 261 CD LYS A 30 11.891 5.342 1.870 1.00 10.00 C ATOM 262 CE LYS A 30 10.475 5.785 2.217 1.00 10.00 C ATOM 263 NZ LYS A 30 10.208 7.204 1.849 1.00 10.00 N ATOM 0 H LYS A 30 14.997 0.860 0.338 1.00 10.00 H new ATOM 0 HA LYS A 30 12.853 1.328 2.039 1.00 10.00 H new ATOM 0 HB2 LYS A 30 14.162 3.493 2.486 1.00 10.00 H new ATOM 0 HB3 LYS A 30 13.775 3.944 0.838 1.00 10.00 H new ATOM 0 HG2 LYS A 30 11.291 3.295 1.636 1.00 10.00 H new ATOM 0 HG3 LYS A 30 11.962 3.669 3.212 1.00 10.00 H new ATOM 0 HD2 LYS A 30 12.610 5.916 2.455 1.00 10.00 H new ATOM 0 HD3 LYS A 30 12.095 5.551 0.820 1.00 10.00 H new ATOM 0 HE2 LYS A 30 9.761 5.141 1.703 1.00 10.00 H new ATOM 0 HE3 LYS A 30 10.310 5.654 3.287 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 9.231 7.452 2.107 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 10.869 7.825 2.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 10.337 7.327 0.824 1.00 10.00 H new ATOM 268 N PHE A 31 13.519 2.187 -1.101 1.00 10.00 N ATOM 269 CA PHE A 31 13.060 2.113 -2.480 1.00 10.00 C ATOM 270 C PHE A 31 14.148 1.504 -3.348 1.00 10.00 C ATOM 271 O PHE A 31 15.336 1.603 -3.028 1.00 10.00 O ATOM 272 CB PHE A 31 12.674 3.499 -3.001 1.00 10.00 C ATOM 273 CG PHE A 31 11.212 3.815 -2.863 1.00 10.00 C ATOM 274 CD1 PHE A 31 10.678 4.181 -1.638 1.00 10.00 C ATOM 275 CD2 PHE A 31 10.374 3.748 -3.962 1.00 10.00 C ATOM 276 CE1 PHE A 31 9.335 4.473 -1.512 1.00 10.00 C ATOM 277 CE2 PHE A 31 9.029 4.039 -3.844 1.00 10.00 C ATOM 278 CZ PHE A 31 8.508 4.403 -2.619 1.00 10.00 C ATOM 0 H PHE A 31 14.434 2.624 -0.988 1.00 10.00 H new ATOM 0 HA PHE A 31 12.173 1.481 -2.521 1.00 10.00 H new ATOM 0 HB2 PHE A 31 13.251 4.252 -2.464 1.00 10.00 H new ATOM 0 HB3 PHE A 31 12.954 3.572 -4.052 1.00 10.00 H new ATOM 0 HD1 PHE A 31 11.320 4.238 -0.772 1.00 10.00 H new ATOM 0 HD2 PHE A 31 10.776 3.465 -4.923 1.00 10.00 H new ATOM 0 HE1 PHE A 31 8.930 4.756 -0.551 1.00 10.00 H new ATOM 0 HE2 PHE A 31 8.386 3.982 -4.710 1.00 10.00 H new ATOM 0 HZ PHE A 31 7.457 4.633 -2.525 1.00 10.00 H new ATOM 280 N ILE A 32 13.750 0.873 -4.440 1.00 10.00 N ATOM 281 CA ILE A 32 14.702 0.237 -5.339 1.00 10.00 C ATOM 282 C ILE A 32 14.715 0.920 -6.703 1.00 10.00 C ATOM 283 O ILE A 32 14.003 1.898 -6.922 1.00 10.00 O ATOM 284 CB ILE A 32 14.394 -1.265 -5.511 1.00 10.00 C ATOM 285 CG1 ILE A 32 12.969 -1.466 -6.036 1.00 10.00 C ATOM 286 CG2 ILE A 32 14.592 -2.002 -4.194 1.00 10.00 C ATOM 287 CD1 ILE A 32 12.572 -2.916 -6.196 1.00 10.00 C ATOM 0 H ILE A 32 12.775 0.787 -4.726 1.00 10.00 H new ATOM 0 HA ILE A 32 15.688 0.341 -4.886 1.00 10.00 H new ATOM 0 HB ILE A 32 15.088 -1.679 -6.243 1.00 10.00 H new ATOM 0 HG12 ILE A 32 12.270 -0.982 -5.354 1.00 10.00 H new ATOM 0 HG13 ILE A 32 12.874 -0.965 -6.999 1.00 10.00 H new ATOM 0 HG21 ILE A 32 14.371 -3.060 -4.332 1.00 10.00 H new ATOM 0 HG22 ILE A 32 15.625 -1.887 -3.865 1.00 10.00 H new ATOM 0 HG23 ILE A 32 13.923 -1.587 -3.441 1.00 10.00 H new ATOM 0 HD11 ILE A 32 11.550 -2.974 -6.572 1.00 10.00 H new ATOM 0 HD12 ILE A 32 13.246 -3.402 -6.901 1.00 10.00 H new ATOM 0 HD13 ILE A 32 12.633 -3.419 -5.231 1.00 10.00 H new ATOM 289 N THR A 33 15.530 0.402 -7.607 1.00 10.00 N ATOM 290 CA THR A 33 15.642 0.955 -8.948 1.00 10.00 C ATOM 291 C THR A 33 14.677 0.243 -9.891 1.00 10.00 C ATOM 292 O THR A 33 14.091 -0.780 -9.530 1.00 10.00 O ATOM 293 CB THR A 33 17.076 0.755 -9.476 1.00 10.00 C ATOM 294 OG1 THR A 33 17.480 -0.600 -9.229 1.00 10.00 O ATOM 295 CG2 THR A 33 18.036 1.703 -8.775 1.00 10.00 C ATOM 0 H THR A 33 16.128 -0.406 -7.435 1.00 10.00 H new ATOM 0 HA THR A 33 15.402 2.017 -8.906 1.00 10.00 H new ATOM 0 HB THR A 33 17.095 0.964 -10.546 1.00 10.00 H new ATOM 0 HG1 THR A 33 18.391 -0.736 -9.564 1.00 10.00 H new ATOM 0 HG21 THR A 33 19.044 1.549 -9.159 1.00 10.00 H new ATOM 0 HG22 THR A 33 17.730 2.733 -8.960 1.00 10.00 H new ATOM 0 HG23 THR A 33 18.022 1.507 -7.703 1.00 10.00 H new ATOM 298 N LYS A 34 14.514 0.777 -11.095 1.00 10.00 N ATOM 299 CA LYS A 34 13.631 0.165 -12.080 1.00 10.00 C ATOM 300 C LYS A 34 14.165 -1.207 -12.474 1.00 10.00 C ATOM 301 O LYS A 34 13.407 -2.156 -12.654 1.00 10.00 O ATOM 302 CB LYS A 34 13.474 1.052 -13.319 1.00 10.00 C ATOM 303 CG LYS A 34 12.581 2.268 -13.118 1.00 10.00 C ATOM 304 CD LYS A 34 13.392 3.507 -12.777 1.00 10.00 C ATOM 305 CE LYS A 34 12.505 4.739 -12.690 1.00 10.00 C ATOM 306 NZ LYS A 34 13.297 5.981 -12.487 1.00 10.00 N ATOM 0 H LYS A 34 14.979 1.628 -11.412 1.00 10.00 H new ATOM 0 HA LYS A 34 12.646 0.051 -11.628 1.00 10.00 H new ATOM 0 HB2 LYS A 34 14.461 1.390 -13.635 1.00 10.00 H new ATOM 0 HB3 LYS A 34 13.068 0.450 -14.132 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.002 2.449 -14.024 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.867 2.068 -12.319 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.906 3.358 -11.827 1.00 10.00 H new ATOM 0 HD3 LYS A 34 14.160 3.662 -13.535 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.918 4.829 -13.604 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.799 4.620 -11.868 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.655 6.797 -12.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.838 5.907 -11.602 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.953 6.109 -13.284 1.00 10.00 H new ATOM 311 N ASP A 35 15.482 -1.304 -12.586 1.00 10.00 N ATOM 312 CA ASP A 35 16.128 -2.559 -12.939 1.00 10.00 C ATOM 313 C ASP A 35 15.909 -3.588 -11.835 1.00 10.00 C ATOM 314 O ASP A 35 15.692 -4.771 -12.104 1.00 10.00 O ATOM 315 CB ASP A 35 17.627 -2.335 -13.154 1.00 10.00 C ATOM 316 CG ASP A 35 18.387 -3.612 -13.455 1.00 10.00 C ATOM 317 OD1 ASP A 35 18.349 -4.073 -14.614 1.00 10.00 O ATOM 318 OD2 ASP A 35 19.036 -4.154 -12.538 1.00 10.00 O ATOM 0 H ASP A 35 16.125 -0.526 -12.437 1.00 10.00 H new ATOM 0 HA ASP A 35 15.689 -2.933 -13.864 1.00 10.00 H new ATOM 0 HB2 ASP A 35 17.768 -1.634 -13.977 1.00 10.00 H new ATOM 0 HB3 ASP A 35 18.049 -1.870 -12.263 1.00 10.00 H new ATOM 320 N LYS A 36 15.938 -3.124 -10.591 1.00 10.00 N ATOM 321 CA LYS A 36 15.752 -3.998 -9.440 1.00 10.00 C ATOM 322 C LYS A 36 14.283 -4.378 -9.255 1.00 10.00 C ATOM 323 O LYS A 36 13.976 -5.488 -8.815 1.00 10.00 O ATOM 324 CB LYS A 36 16.300 -3.342 -8.170 1.00 10.00 C ATOM 325 CG LYS A 36 16.558 -4.308 -7.025 1.00 10.00 C ATOM 326 CD LYS A 36 17.430 -3.668 -5.954 1.00 10.00 C ATOM 327 CE LYS A 36 17.828 -4.675 -4.882 1.00 10.00 C ATOM 328 NZ LYS A 36 16.862 -4.707 -3.753 1.00 10.00 N ATOM 0 H LYS A 36 16.089 -2.144 -10.354 1.00 10.00 H new ATOM 0 HA LYS A 36 16.311 -4.915 -9.629 1.00 10.00 H new ATOM 0 HB2 LYS A 36 17.231 -2.829 -8.413 1.00 10.00 H new ATOM 0 HB3 LYS A 36 15.595 -2.581 -7.835 1.00 10.00 H new ATOM 0 HG2 LYS A 36 15.610 -4.620 -6.588 1.00 10.00 H new ATOM 0 HG3 LYS A 36 17.044 -5.206 -7.405 1.00 10.00 H new ATOM 0 HD2 LYS A 36 18.326 -3.252 -6.414 1.00 10.00 H new ATOM 0 HD3 LYS A 36 16.893 -2.839 -5.494 1.00 10.00 H new ATOM 0 HE2 LYS A 36 17.897 -5.668 -5.327 1.00 10.00 H new ATOM 0 HE3 LYS A 36 18.819 -4.426 -4.503 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 17.076 -5.516 -3.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 16.937 -3.825 -3.207 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 15.896 -4.802 -4.126 1.00 10.00 H new ATOM 333 N ARG A 37 13.380 -3.463 -9.606 1.00 10.00 N ATOM 334 CA ARG A 37 11.943 -3.712 -9.469 1.00 10.00 C ATOM 335 C ARG A 37 11.485 -4.839 -10.387 1.00 10.00 C ATOM 336 O ARG A 37 10.501 -5.523 -10.104 1.00 10.00 O ATOM 337 CB ARG A 37 11.121 -2.439 -9.717 1.00 10.00 C ATOM 338 CG ARG A 37 10.765 -2.187 -11.175 1.00 10.00 C ATOM 339 CD ARG A 37 9.922 -0.934 -11.346 1.00 10.00 C ATOM 340 NE ARG A 37 9.722 -0.607 -12.759 1.00 10.00 N ATOM 341 CZ ARG A 37 9.099 0.487 -13.191 1.00 10.00 C ATOM 342 NH1 ARG A 37 8.545 1.329 -12.325 1.00 10.00 N ATOM 343 NH2 ARG A 37 9.008 0.726 -14.494 1.00 10.00 N ATOM 0 H ARG A 37 13.615 -2.546 -9.986 1.00 10.00 H new ATOM 0 HA ARG A 37 11.769 -4.024 -8.439 1.00 10.00 H new ATOM 0 HB2 ARG A 37 10.200 -2.499 -9.137 1.00 10.00 H new ATOM 0 HB3 ARG A 37 11.680 -1.582 -9.340 1.00 10.00 H new ATOM 0 HG2 ARG A 37 11.680 -2.092 -11.760 1.00 10.00 H new ATOM 0 HG3 ARG A 37 10.222 -3.046 -11.570 1.00 10.00 H new ATOM 0 HD2 ARG A 37 8.955 -1.077 -10.865 1.00 10.00 H new ATOM 0 HD3 ARG A 37 10.407 -0.097 -10.844 1.00 10.00 H new ATOM 0 HE ARG A 37 10.083 -1.258 -13.456 1.00 10.00 H new ATOM 0 HH11 ARG A 37 8.596 1.138 -11.324 1.00 10.00 H new ATOM 0 HH12 ARG A 37 8.069 2.166 -12.661 1.00 10.00 H new ATOM 0 HH21 ARG A 37 9.415 0.072 -15.162 1.00 10.00 H new ATOM 0 HH22 ARG A 37 8.531 1.564 -14.827 1.00 10.00 H new ATOM 350 N ARG A 38 12.217 -5.032 -11.478 1.00 10.00 N ATOM 351 CA ARG A 38 11.903 -6.069 -12.451 1.00 10.00 C ATOM 352 C ARG A 38 11.920 -7.448 -11.806 1.00 10.00 C ATOM 353 O ARG A 38 11.172 -8.339 -12.207 1.00 10.00 O ATOM 354 CB ARG A 38 12.883 -6.013 -13.621 1.00 10.00 C ATOM 355 CG ARG A 38 12.825 -4.711 -14.400 1.00 10.00 C ATOM 356 CD ARG A 38 13.808 -4.710 -15.558 1.00 10.00 C ATOM 357 NE ARG A 38 13.613 -5.858 -16.440 1.00 10.00 N ATOM 358 CZ ARG A 38 12.603 -5.979 -17.302 1.00 10.00 C ATOM 359 NH1 ARG A 38 11.678 -5.032 -17.401 1.00 10.00 N ATOM 360 NH2 ARG A 38 12.519 -7.058 -18.067 1.00 10.00 N ATOM 0 H ARG A 38 13.040 -4.477 -11.711 1.00 10.00 H new ATOM 0 HA ARG A 38 10.897 -5.887 -12.828 1.00 10.00 H new ATOM 0 HB2 ARG A 38 13.895 -6.156 -13.243 1.00 10.00 H new ATOM 0 HB3 ARG A 38 12.675 -6.842 -14.298 1.00 10.00 H new ATOM 0 HG2 ARG A 38 11.815 -4.557 -14.779 1.00 10.00 H new ATOM 0 HG3 ARG A 38 13.046 -3.877 -13.734 1.00 10.00 H new ATOM 0 HD2 ARG A 38 13.694 -3.789 -16.130 1.00 10.00 H new ATOM 0 HD3 ARG A 38 14.826 -4.720 -15.170 1.00 10.00 H new ATOM 0 HE ARG A 38 14.294 -6.616 -16.393 1.00 10.00 H new ATOM 0 HH11 ARG A 38 11.735 -4.200 -16.814 1.00 10.00 H new ATOM 0 HH12 ARG A 38 10.910 -5.136 -18.064 1.00 10.00 H new ATOM 0 HH21 ARG A 38 13.225 -7.791 -17.995 1.00 10.00 H new ATOM 0 HH22 ARG A 38 11.748 -7.156 -18.728 1.00 10.00 H new ATOM 367 N ARG A 39 12.765 -7.611 -10.794 1.00 10.00 N ATOM 368 CA ARG A 39 12.870 -8.880 -10.084 1.00 10.00 C ATOM 369 C ARG A 39 11.548 -9.212 -9.402 1.00 10.00 C ATOM 370 O ARG A 39 10.932 -10.237 -9.689 1.00 10.00 O ATOM 371 CB ARG A 39 13.976 -8.814 -9.033 1.00 10.00 C ATOM 372 CG ARG A 39 15.385 -8.753 -9.597 1.00 10.00 C ATOM 373 CD ARG A 39 16.375 -8.282 -8.545 1.00 10.00 C ATOM 374 NE ARG A 39 16.220 -8.993 -7.272 1.00 10.00 N ATOM 375 CZ ARG A 39 15.719 -8.442 -6.165 1.00 10.00 C ATOM 376 NH1 ARG A 39 15.269 -7.193 -6.192 1.00 10.00 N ATOM 377 NH2 ARG A 39 15.643 -9.146 -5.044 1.00 10.00 N ATOM 0 H ARG A 39 13.387 -6.881 -10.447 1.00 10.00 H new ATOM 0 HA ARG A 39 13.110 -9.658 -10.809 1.00 10.00 H new ATOM 0 HB2 ARG A 39 13.812 -7.937 -8.407 1.00 10.00 H new ATOM 0 HB3 ARG A 39 13.896 -9.687 -8.386 1.00 10.00 H new ATOM 0 HG2 ARG A 39 15.677 -9.738 -9.961 1.00 10.00 H new ATOM 0 HG3 ARG A 39 15.409 -8.077 -10.452 1.00 10.00 H new ATOM 0 HD2 ARG A 39 17.390 -8.424 -8.916 1.00 10.00 H new ATOM 0 HD3 ARG A 39 16.243 -7.213 -8.379 1.00 10.00 H new ATOM 0 HE ARG A 39 16.513 -9.969 -7.230 1.00 10.00 H new ATOM 0 HH11 ARG A 39 15.307 -6.656 -7.058 1.00 10.00 H new ATOM 0 HH12 ARG A 39 14.886 -6.771 -5.346 1.00 10.00 H new ATOM 0 HH21 ARG A 39 15.968 -10.113 -5.026 1.00 10.00 H new ATOM 0 HH22 ARG A 39 15.259 -8.721 -4.200 1.00 10.00 H new ATOM 384 N ILE A 40 11.108 -8.324 -8.514 1.00 10.00 N ATOM 385 CA ILE A 40 9.860 -8.520 -7.787 1.00 10.00 C ATOM 386 C ILE A 40 8.688 -8.602 -8.756 1.00 10.00 C ATOM 387 O ILE A 40 7.769 -9.400 -8.568 1.00 10.00 O ATOM 388 CB ILE A 40 9.593 -7.378 -6.785 1.00 10.00 C ATOM 389 CG1 ILE A 40 10.864 -7.022 -6.011 1.00 10.00 C ATOM 390 CG2 ILE A 40 8.478 -7.769 -5.824 1.00 10.00 C ATOM 391 CD1 ILE A 40 10.721 -5.782 -5.158 1.00 10.00 C ATOM 0 H ILE A 40 11.599 -7.461 -8.281 1.00 10.00 H new ATOM 0 HA ILE A 40 9.958 -9.454 -7.234 1.00 10.00 H new ATOM 0 HB ILE A 40 9.280 -6.498 -7.346 1.00 10.00 H new ATOM 0 HG12 ILE A 40 11.140 -7.862 -5.374 1.00 10.00 H new ATOM 0 HG13 ILE A 40 11.681 -6.876 -6.717 1.00 10.00 H new ATOM 0 HG21 ILE A 40 8.300 -6.954 -5.122 1.00 10.00 H new ATOM 0 HG22 ILE A 40 7.566 -7.969 -6.387 1.00 10.00 H new ATOM 0 HG23 ILE A 40 8.769 -8.664 -5.274 1.00 10.00 H new ATOM 0 HD11 ILE A 40 11.659 -5.588 -4.637 1.00 10.00 H new ATOM 0 HD12 ILE A 40 10.475 -4.930 -5.792 1.00 10.00 H new ATOM 0 HD13 ILE A 40 9.925 -5.932 -4.428 1.00 10.00 H new ATOM 393 N SER A 41 8.741 -7.783 -9.800 1.00 10.00 N ATOM 394 CA SER A 41 7.692 -7.751 -10.807 1.00 10.00 C ATOM 395 C SER A 41 7.547 -9.107 -11.489 1.00 10.00 C ATOM 396 O SER A 41 6.439 -9.565 -11.740 1.00 10.00 O ATOM 397 CB SER A 41 7.972 -6.657 -11.840 1.00 10.00 C ATOM 398 OG SER A 41 6.766 -6.177 -12.403 1.00 10.00 O ATOM 0 H SER A 41 9.505 -7.129 -9.970 1.00 10.00 H new ATOM 0 HA SER A 41 6.751 -7.522 -10.307 1.00 10.00 H new ATOM 0 HB2 SER A 41 8.511 -5.835 -11.369 1.00 10.00 H new ATOM 0 HB3 SER A 41 8.615 -7.050 -12.627 1.00 10.00 H new ATOM 0 HG SER A 41 6.411 -6.840 -13.031 1.00 10.00 H new ATOM 401 N ALA A 42 8.664 -9.753 -11.776 1.00 10.00 N ATOM 402 CA ALA A 42 8.637 -11.059 -12.420 1.00 10.00 C ATOM 403 C ALA A 42 8.145 -12.132 -11.455 1.00 10.00 C ATOM 404 O ALA A 42 7.428 -13.054 -11.844 1.00 10.00 O ATOM 405 CB ALA A 42 10.015 -11.408 -12.958 1.00 10.00 C ATOM 0 H ALA A 42 9.599 -9.398 -11.575 1.00 10.00 H new ATOM 0 HA ALA A 42 7.939 -11.017 -13.256 1.00 10.00 H new ATOM 0 HB1 ALA A 42 9.981 -12.387 -13.437 1.00 10.00 H new ATOM 0 HB2 ALA A 42 10.322 -10.658 -13.687 1.00 10.00 H new ATOM 0 HB3 ALA A 42 10.731 -11.430 -12.137 1.00 10.00 H new ATOM 407 N THR A 43 8.523 -11.997 -10.193 1.00 10.00 N ATOM 408 CA THR A 43 8.128 -12.954 -9.165 1.00 10.00 C ATOM 409 C THR A 43 6.637 -12.848 -8.833 1.00 10.00 C ATOM 410 O THR A 43 5.999 -13.841 -8.495 1.00 10.00 O ATOM 411 CB THR A 43 8.955 -12.764 -7.875 1.00 10.00 C ATOM 412 OG1 THR A 43 10.325 -12.531 -8.222 1.00 10.00 O ATOM 413 CG2 THR A 43 8.869 -13.999 -6.990 1.00 10.00 C ATOM 0 H THR A 43 9.105 -11.232 -9.853 1.00 10.00 H new ATOM 0 HA THR A 43 8.324 -13.946 -9.572 1.00 10.00 H new ATOM 0 HB THR A 43 8.553 -11.912 -7.327 1.00 10.00 H new ATOM 0 HG1 THR A 43 10.420 -11.628 -8.591 1.00 10.00 H new ATOM 0 HG21 THR A 43 9.459 -13.842 -6.087 1.00 10.00 H new ATOM 0 HG22 THR A 43 7.829 -14.179 -6.717 1.00 10.00 H new ATOM 0 HG23 THR A 43 9.257 -14.862 -7.531 1.00 10.00 H new ATOM 416 N THR A 44 6.080 -11.648 -8.944 1.00 10.00 N ATOM 417 CA THR A 44 4.671 -11.427 -8.632 1.00 10.00 C ATOM 418 C THR A 44 3.818 -11.321 -9.895 1.00 10.00 C ATOM 419 O THR A 44 2.603 -11.129 -9.811 1.00 10.00 O ATOM 420 CB THR A 44 4.481 -10.155 -7.786 1.00 10.00 C ATOM 421 OG1 THR A 44 5.153 -9.057 -8.417 1.00 10.00 O ATOM 422 CG2 THR A 44 5.045 -10.354 -6.386 1.00 10.00 C ATOM 0 H THR A 44 6.581 -10.813 -9.247 1.00 10.00 H new ATOM 0 HA THR A 44 4.341 -12.294 -8.060 1.00 10.00 H new ATOM 0 HB THR A 44 3.415 -9.943 -7.708 1.00 10.00 H new ATOM 0 HG1 THR A 44 6.098 -9.060 -8.158 1.00 10.00 H new ATOM 0 HG21 THR A 44 4.901 -9.444 -5.803 1.00 10.00 H new ATOM 0 HG22 THR A 44 4.529 -11.182 -5.900 1.00 10.00 H new ATOM 0 HG23 THR A 44 6.110 -10.579 -6.451 1.00 10.00 H new ATOM 425 N ASN A 45 4.460 -11.450 -11.056 1.00 10.00 N ATOM 426 CA ASN A 45 3.774 -11.361 -12.350 1.00 10.00 C ATOM 427 C ASN A 45 3.099 -9.996 -12.503 1.00 10.00 C ATOM 428 O ASN A 45 1.957 -9.882 -12.953 1.00 10.00 O ATOM 429 CB ASN A 45 2.763 -12.502 -12.520 1.00 10.00 C ATOM 430 CG ASN A 45 2.213 -12.604 -13.931 1.00 10.00 C ATOM 431 OD1 ASN A 45 2.898 -12.287 -14.905 1.00 10.00 O ATOM 432 ND2 ASN A 45 0.968 -13.039 -14.051 1.00 10.00 N ATOM 0 H ASN A 45 5.463 -11.618 -11.129 1.00 10.00 H new ATOM 0 HA ASN A 45 4.518 -11.464 -13.140 1.00 10.00 H new ATOM 0 HB2 ASN A 45 3.240 -13.445 -12.253 1.00 10.00 H new ATOM 0 HB3 ASN A 45 1.937 -12.355 -11.824 1.00 10.00 H new ATOM 0 HD21 ASN A 45 0.543 -13.121 -14.975 1.00 10.00 H new ATOM 0 HD22 ASN A 45 0.434 -13.292 -13.220 1.00 10.00 H new ATOM 436 N LEU A 46 3.823 -8.960 -12.114 1.00 10.00 N ATOM 437 CA LEU A 46 3.322 -7.596 -12.185 1.00 10.00 C ATOM 438 C LEU A 46 3.884 -6.879 -13.409 1.00 10.00 C ATOM 439 O LEU A 46 4.861 -7.334 -14.011 1.00 10.00 O ATOM 440 CB LEU A 46 3.672 -6.833 -10.900 1.00 10.00 C ATOM 441 CG LEU A 46 2.525 -6.587 -9.910 1.00 10.00 C ATOM 442 CD1 LEU A 46 1.716 -7.852 -9.679 1.00 10.00 C ATOM 443 CD2 LEU A 46 3.062 -6.058 -8.591 1.00 10.00 C ATOM 0 H LEU A 46 4.769 -9.039 -11.742 1.00 10.00 H new ATOM 0 HA LEU A 46 2.237 -7.630 -12.282 1.00 10.00 H new ATOM 0 HB2 LEU A 46 4.457 -7.383 -10.381 1.00 10.00 H new ATOM 0 HB3 LEU A 46 4.092 -5.867 -11.181 1.00 10.00 H new ATOM 0 HG LEU A 46 1.865 -5.838 -10.346 1.00 10.00 H new ATOM 0 HD11 LEU A 46 0.911 -7.645 -8.973 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.292 -8.190 -10.624 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.364 -8.629 -9.273 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.234 -5.890 -7.902 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.750 -6.785 -8.160 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.588 -5.119 -8.763 1.00 10.00 H new ATOM 445 N SER A 47 3.270 -5.759 -13.765 1.00 10.00 N ATOM 446 CA SER A 47 3.683 -4.978 -14.923 1.00 10.00 C ATOM 447 C SER A 47 4.609 -3.825 -14.534 1.00 10.00 C ATOM 448 O SER A 47 4.625 -2.790 -15.205 1.00 10.00 O ATOM 449 CB SER A 47 2.434 -4.415 -15.598 1.00 10.00 C ATOM 450 OG SER A 47 1.561 -3.864 -14.621 1.00 10.00 O ATOM 0 H SER A 47 2.474 -5.367 -13.261 1.00 10.00 H new ATOM 0 HA SER A 47 4.235 -5.631 -15.599 1.00 10.00 H new ATOM 0 HB2 SER A 47 2.715 -3.649 -16.320 1.00 10.00 H new ATOM 0 HB3 SER A 47 1.923 -5.203 -16.152 1.00 10.00 H new ATOM 0 HG SER A 47 0.763 -3.503 -15.061 1.00 10.00 H new ATOM 453 N GLU A 48 5.368 -4.005 -13.448 1.00 10.00 N ATOM 454 CA GLU A 48 6.306 -2.988 -12.947 1.00 10.00 C ATOM 455 C GLU A 48 5.583 -1.793 -12.316 1.00 10.00 C ATOM 456 O GLU A 48 5.934 -1.346 -11.225 1.00 10.00 O ATOM 457 CB GLU A 48 7.294 -2.530 -14.027 1.00 10.00 C ATOM 458 CG GLU A 48 8.363 -3.553 -14.380 1.00 10.00 C ATOM 459 CD GLU A 48 9.391 -3.000 -15.343 1.00 10.00 C ATOM 460 OE1 GLU A 48 10.252 -2.202 -14.911 1.00 10.00 O ATOM 461 OE2 GLU A 48 9.340 -3.353 -16.540 1.00 10.00 O ATOM 0 H GLU A 48 5.351 -4.859 -12.890 1.00 10.00 H new ATOM 0 HA GLU A 48 6.885 -3.470 -12.159 1.00 10.00 H new ATOM 0 HB2 GLU A 48 6.736 -2.280 -14.929 1.00 10.00 H new ATOM 0 HB3 GLU A 48 7.782 -1.615 -13.691 1.00 10.00 H new ATOM 0 HG2 GLU A 48 8.862 -3.883 -13.469 1.00 10.00 H new ATOM 0 HG3 GLU A 48 7.891 -4.431 -14.821 1.00 10.00 H new ATOM 463 N ARG A 49 4.571 -1.286 -13.009 1.00 10.00 N ATOM 464 CA ARG A 49 3.781 -0.157 -12.531 1.00 10.00 C ATOM 465 C ARG A 49 3.187 -0.454 -11.156 1.00 10.00 C ATOM 466 O ARG A 49 3.387 0.299 -10.203 1.00 10.00 O ATOM 467 CB ARG A 49 2.654 0.139 -13.527 1.00 10.00 C ATOM 468 CG ARG A 49 1.778 1.330 -13.161 1.00 10.00 C ATOM 469 CD ARG A 49 0.409 1.218 -13.813 1.00 10.00 C ATOM 470 NE ARG A 49 -0.343 2.471 -13.742 1.00 10.00 N ATOM 471 CZ ARG A 49 -1.578 2.579 -13.252 1.00 10.00 C ATOM 472 NH1 ARG A 49 -2.194 1.517 -12.741 1.00 10.00 N ATOM 473 NH2 ARG A 49 -2.198 3.750 -13.271 1.00 10.00 N ATOM 0 H ARG A 49 4.275 -1.645 -13.917 1.00 10.00 H new ATOM 0 HA ARG A 49 4.434 0.712 -12.445 1.00 10.00 H new ATOM 0 HB2 ARG A 49 3.093 0.316 -14.509 1.00 10.00 H new ATOM 0 HB3 ARG A 49 2.023 -0.746 -13.614 1.00 10.00 H new ATOM 0 HG2 ARG A 49 1.666 1.385 -12.078 1.00 10.00 H new ATOM 0 HG3 ARG A 49 2.262 2.254 -13.479 1.00 10.00 H new ATOM 0 HD2 ARG A 49 0.529 0.927 -14.857 1.00 10.00 H new ATOM 0 HD3 ARG A 49 -0.160 0.427 -13.325 1.00 10.00 H new ATOM 0 HE ARG A 49 0.107 3.317 -14.090 1.00 10.00 H new ATOM 0 HH11 ARG A 49 -1.721 0.613 -12.722 1.00 10.00 H new ATOM 0 HH12 ARG A 49 -3.139 1.606 -12.368 1.00 10.00 H new ATOM 0 HH21 ARG A 49 -1.730 4.568 -13.661 1.00 10.00 H new ATOM 0 HH22 ARG A 49 -3.143 3.833 -12.896 1.00 10.00 H new ATOM 480 N GLN A 50 2.490 -1.580 -11.054 1.00 10.00 N ATOM 481 CA GLN A 50 1.851 -1.978 -9.805 1.00 10.00 C ATOM 482 C GLN A 50 2.851 -2.226 -8.675 1.00 10.00 C ATOM 483 O GLN A 50 2.586 -1.883 -7.523 1.00 10.00 O ATOM 484 CB GLN A 50 0.958 -3.201 -10.018 1.00 10.00 C ATOM 485 CG GLN A 50 -0.391 -2.882 -10.645 1.00 10.00 C ATOM 486 CD GLN A 50 -1.202 -1.905 -9.812 1.00 10.00 C ATOM 487 OE1 GLN A 50 -1.105 -0.693 -9.991 1.00 10.00 O ATOM 488 NE2 GLN A 50 -2.013 -2.425 -8.906 1.00 10.00 N ATOM 0 H GLN A 50 2.353 -2.235 -11.824 1.00 10.00 H new ATOM 0 HA GLN A 50 1.231 -1.138 -9.492 1.00 10.00 H new ATOM 0 HB2 GLN A 50 1.483 -3.915 -10.653 1.00 10.00 H new ATOM 0 HB3 GLN A 50 0.794 -3.690 -9.058 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -0.236 -2.465 -11.640 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -0.957 -3.805 -10.771 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -2.064 -3.437 -8.788 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -2.587 -1.814 -8.325 1.00 10.00 H new ATOM 492 N VAL A 51 4.007 -2.799 -9.005 1.00 10.00 N ATOM 493 CA VAL A 51 5.020 -3.080 -7.990 1.00 10.00 C ATOM 494 C VAL A 51 5.549 -1.787 -7.372 1.00 10.00 C ATOM 495 O VAL A 51 5.939 -1.755 -6.206 1.00 10.00 O ATOM 496 CB VAL A 51 6.175 -3.980 -8.503 1.00 10.00 C ATOM 497 CG1 VAL A 51 7.288 -3.176 -9.157 1.00 10.00 C ATOM 498 CG2 VAL A 51 6.724 -4.840 -7.375 1.00 10.00 C ATOM 0 H VAL A 51 4.263 -3.074 -9.953 1.00 10.00 H new ATOM 0 HA VAL A 51 4.521 -3.656 -7.211 1.00 10.00 H new ATOM 0 HB VAL A 51 5.758 -4.630 -9.272 1.00 10.00 H new ATOM 0 HG11 VAL A 51 8.072 -3.851 -9.499 1.00 10.00 H new ATOM 0 HG12 VAL A 51 6.887 -2.625 -10.008 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.704 -2.475 -8.434 1.00 10.00 H new ATOM 0 HG21 VAL A 51 7.533 -5.464 -7.754 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.103 -4.198 -6.580 1.00 10.00 H new ATOM 0 HG23 VAL A 51 5.930 -5.475 -6.982 1.00 10.00 H new ATOM 500 N THR A 52 5.533 -0.717 -8.154 1.00 10.00 N ATOM 501 CA THR A 52 5.990 0.577 -7.677 1.00 10.00 C ATOM 502 C THR A 52 4.927 1.181 -6.761 1.00 10.00 C ATOM 503 O THR A 52 5.238 1.867 -5.786 1.00 10.00 O ATOM 504 CB THR A 52 6.275 1.532 -8.858 1.00 10.00 C ATOM 505 OG1 THR A 52 7.030 0.837 -9.867 1.00 10.00 O ATOM 506 CG2 THR A 52 7.066 2.746 -8.391 1.00 10.00 C ATOM 0 H THR A 52 5.208 -0.721 -9.121 1.00 10.00 H new ATOM 0 HA THR A 52 6.918 0.439 -7.123 1.00 10.00 H new ATOM 0 HB THR A 52 5.323 1.868 -9.268 1.00 10.00 H new ATOM 0 HG1 THR A 52 6.447 0.200 -10.331 1.00 10.00 H new ATOM 0 HG21 THR A 52 7.255 3.405 -9.238 1.00 10.00 H new ATOM 0 HG22 THR A 52 6.495 3.283 -7.634 1.00 10.00 H new ATOM 0 HG23 THR A 52 8.015 2.420 -7.965 1.00 10.00 H new ATOM 509 N ILE A 53 3.668 0.883 -7.073 1.00 10.00 N ATOM 510 CA ILE A 53 2.540 1.376 -6.294 1.00 10.00 C ATOM 511 C ILE A 53 2.528 0.745 -4.903 1.00 10.00 C ATOM 512 O ILE A 53 2.312 1.426 -3.901 1.00 10.00 O ATOM 513 CB ILE A 53 1.194 1.079 -7.004 1.00 10.00 C ATOM 514 CG1 ILE A 53 1.105 1.816 -8.346 1.00 10.00 C ATOM 515 CG2 ILE A 53 0.008 1.419 -6.114 1.00 10.00 C ATOM 516 CD1 ILE A 53 1.185 3.326 -8.240 1.00 10.00 C ATOM 0 H ILE A 53 3.405 0.298 -7.866 1.00 10.00 H new ATOM 0 HA ILE A 53 2.656 2.456 -6.200 1.00 10.00 H new ATOM 0 HB ILE A 53 1.158 0.008 -7.205 1.00 10.00 H new ATOM 0 HG12 ILE A 53 1.910 1.467 -8.992 1.00 10.00 H new ATOM 0 HG13 ILE A 53 0.167 1.548 -8.832 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -0.919 1.199 -6.643 1.00 10.00 H new ATOM 0 HG22 ILE A 53 0.055 0.824 -5.202 1.00 10.00 H new ATOM 0 HG23 ILE A 53 0.037 2.478 -5.858 1.00 10.00 H new ATOM 0 HD11 ILE A 53 1.114 3.765 -9.235 1.00 10.00 H new ATOM 0 HD12 ILE A 53 0.364 3.691 -7.623 1.00 10.00 H new ATOM 0 HD13 ILE A 53 2.134 3.609 -7.786 1.00 10.00 H new ATOM 518 N TRP A 54 2.781 -0.560 -4.841 1.00 10.00 N ATOM 519 CA TRP A 54 2.787 -1.265 -3.565 1.00 10.00 C ATOM 520 C TRP A 54 3.870 -0.761 -2.623 1.00 10.00 C ATOM 521 O TRP A 54 3.754 -0.905 -1.408 1.00 10.00 O ATOM 522 CB TRP A 54 2.834 -2.778 -3.737 1.00 10.00 C ATOM 523 CG TRP A 54 1.480 -3.400 -3.580 1.00 10.00 C ATOM 524 CD1 TRP A 54 0.810 -3.612 -2.408 1.00 10.00 C ATOM 525 CD2 TRP A 54 0.623 -3.870 -4.625 1.00 10.00 C ATOM 526 NE1 TRP A 54 -0.411 -4.185 -2.660 1.00 10.00 N ATOM 527 CE2 TRP A 54 -0.548 -4.358 -4.013 1.00 10.00 C ATOM 528 CE3 TRP A 54 0.732 -3.930 -6.015 1.00 10.00 C ATOM 529 CZ2 TRP A 54 -1.601 -4.895 -4.746 1.00 10.00 C ATOM 530 CZ3 TRP A 54 -0.315 -4.464 -6.740 1.00 10.00 C ATOM 531 CH2 TRP A 54 -1.464 -4.938 -6.103 1.00 10.00 C ATOM 0 H TRP A 54 2.983 -1.145 -5.652 1.00 10.00 H new ATOM 0 HA TRP A 54 1.834 -1.035 -3.089 1.00 10.00 H new ATOM 0 HB2 TRP A 54 3.232 -3.019 -4.723 1.00 10.00 H new ATOM 0 HB3 TRP A 54 3.517 -3.206 -3.003 1.00 10.00 H new ATOM 0 HD1 TRP A 54 1.187 -3.365 -1.427 1.00 10.00 H new ATOM 0 HE1 TRP A 54 -1.103 -4.440 -1.956 1.00 10.00 H new ATOM 0 HE3 TRP A 54 1.618 -3.566 -6.514 1.00 10.00 H new ATOM 0 HZ2 TRP A 54 -2.492 -5.264 -4.260 1.00 10.00 H new ATOM 0 HZ3 TRP A 54 -0.244 -4.516 -7.816 1.00 10.00 H new ATOM 0 HH2 TRP A 54 -2.265 -5.349 -6.700 1.00 10.00 H new ATOM 534 N PHE A 55 4.913 -0.156 -3.180 1.00 10.00 N ATOM 535 CA PHE A 55 5.981 0.398 -2.362 1.00 10.00 C ATOM 536 C PHE A 55 5.426 1.552 -1.534 1.00 10.00 C ATOM 537 O PHE A 55 5.765 1.723 -0.361 1.00 10.00 O ATOM 538 CB PHE A 55 7.145 0.875 -3.229 1.00 10.00 C ATOM 539 CG PHE A 55 8.300 -0.087 -3.269 1.00 10.00 C ATOM 540 CD1 PHE A 55 9.313 -0.011 -2.327 1.00 10.00 C ATOM 541 CD2 PHE A 55 8.368 -1.068 -4.243 1.00 10.00 C ATOM 542 CE1 PHE A 55 10.374 -0.897 -2.357 1.00 10.00 C ATOM 543 CE2 PHE A 55 9.427 -1.958 -4.278 1.00 10.00 C ATOM 544 CZ PHE A 55 10.430 -1.870 -3.334 1.00 10.00 C ATOM 0 H PHE A 55 5.040 -0.038 -4.185 1.00 10.00 H new ATOM 0 HA PHE A 55 6.361 -0.379 -1.699 1.00 10.00 H new ATOM 0 HB2 PHE A 55 6.786 1.041 -4.245 1.00 10.00 H new ATOM 0 HB3 PHE A 55 7.496 1.836 -2.854 1.00 10.00 H new ATOM 0 HD1 PHE A 55 9.273 0.749 -1.561 1.00 10.00 H new ATOM 0 HD2 PHE A 55 7.586 -1.140 -4.984 1.00 10.00 H new ATOM 0 HE1 PHE A 55 11.158 -0.828 -1.617 1.00 10.00 H new ATOM 0 HE2 PHE A 55 9.469 -2.720 -5.042 1.00 10.00 H new ATOM 0 HZ PHE A 55 11.258 -2.562 -3.360 1.00 10.00 H new ATOM 546 N GLN A 56 4.540 2.322 -2.155 1.00 10.00 N ATOM 547 CA GLN A 56 3.896 3.445 -1.498 1.00 10.00 C ATOM 548 C GLN A 56 2.773 2.921 -0.613 1.00 10.00 C ATOM 549 O GLN A 56 2.566 3.398 0.504 1.00 10.00 O ATOM 550 CB GLN A 56 3.322 4.402 -2.544 1.00 10.00 C ATOM 551 CG GLN A 56 4.338 4.889 -3.565 1.00 10.00 C ATOM 552 CD GLN A 56 3.731 5.084 -4.939 1.00 10.00 C ATOM 553 OE1 GLN A 56 2.814 4.374 -5.334 1.00 10.00 O ATOM 554 NE2 GLN A 56 4.231 6.061 -5.675 1.00 10.00 N ATOM 0 H GLN A 56 4.251 2.184 -3.123 1.00 10.00 H new ATOM 0 HA GLN A 56 4.626 3.982 -0.892 1.00 10.00 H new ATOM 0 HB2 GLN A 56 2.507 3.903 -3.068 1.00 10.00 H new ATOM 0 HB3 GLN A 56 2.893 5.265 -2.035 1.00 10.00 H new ATOM 0 HG2 GLN A 56 4.768 5.831 -3.224 1.00 10.00 H new ATOM 0 HG3 GLN A 56 5.155 4.171 -3.631 1.00 10.00 H new ATOM 0 HE21 GLN A 56 4.995 6.632 -5.313 1.00 10.00 H new ATOM 0 HE22 GLN A 56 3.853 6.244 -6.605 1.00 10.00 H new ATOM 558 N ASN A 57 2.069 1.912 -1.119 1.00 10.00 N ATOM 559 CA ASN A 57 0.968 1.287 -0.391 1.00 10.00 C ATOM 560 C ASN A 57 1.454 0.688 0.920 1.00 10.00 C ATOM 561 O ASN A 57 0.730 0.658 1.912 1.00 10.00 O ATOM 562 CB ASN A 57 0.300 0.199 -1.234 1.00 10.00 C ATOM 563 CG ASN A 57 -1.026 0.648 -1.807 1.00 10.00 C ATOM 564 OD1 ASN A 57 -1.677 1.531 -1.265 1.00 10.00 O ATOM 565 ND2 ASN A 57 -1.438 0.032 -2.901 1.00 10.00 N ATOM 0 H ASN A 57 2.244 1.507 -2.039 1.00 10.00 H new ATOM 0 HA ASN A 57 0.236 2.065 -0.175 1.00 10.00 H new ATOM 0 HB2 ASN A 57 0.966 -0.087 -2.048 1.00 10.00 H new ATOM 0 HB3 ASN A 57 0.146 -0.689 -0.621 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -2.330 0.288 -3.325 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.864 -0.699 -3.321 1.00 10.00 H new ATOM 569 N ARG A 58 2.686 0.205 0.920 1.00 10.00 N ATOM 570 CA ARG A 58 3.273 -0.373 2.114 1.00 10.00 C ATOM 571 C ARG A 58 3.428 0.694 3.195 1.00 10.00 C ATOM 572 O ARG A 58 3.230 0.429 4.383 1.00 10.00 O ATOM 573 CB ARG A 58 4.632 -1.000 1.785 1.00 10.00 C ATOM 574 CG ARG A 58 5.367 -1.564 2.988 1.00 10.00 C ATOM 575 CD ARG A 58 6.447 -0.610 3.475 1.00 10.00 C ATOM 576 NE ARG A 58 6.582 -0.631 4.930 1.00 10.00 N ATOM 577 CZ ARG A 58 7.195 -1.596 5.610 1.00 10.00 C ATOM 578 NH1 ARG A 58 7.736 -2.627 4.970 1.00 10.00 N ATOM 579 NH2 ARG A 58 7.269 -1.519 6.932 1.00 10.00 N ATOM 0 H ARG A 58 3.298 0.203 0.104 1.00 10.00 H new ATOM 0 HA ARG A 58 2.611 -1.154 2.488 1.00 10.00 H new ATOM 0 HB2 ARG A 58 4.484 -1.798 1.057 1.00 10.00 H new ATOM 0 HB3 ARG A 58 5.261 -0.247 1.310 1.00 10.00 H new ATOM 0 HG2 ARG A 58 4.658 -1.755 3.793 1.00 10.00 H new ATOM 0 HG3 ARG A 58 5.817 -2.522 2.726 1.00 10.00 H new ATOM 0 HD2 ARG A 58 7.400 -0.878 3.019 1.00 10.00 H new ATOM 0 HD3 ARG A 58 6.211 0.402 3.148 1.00 10.00 H new ATOM 0 HE ARG A 58 6.180 0.144 5.458 1.00 10.00 H new ATOM 0 HH11 ARG A 58 7.682 -2.681 3.953 1.00 10.00 H new ATOM 0 HH12 ARG A 58 8.205 -3.365 5.496 1.00 10.00 H new ATOM 0 HH21 ARG A 58 6.857 -0.724 7.420 1.00 10.00 H new ATOM 0 HH22 ARG A 58 7.737 -2.255 7.460 1.00 10.00 H new ATOM 586 N ARG A 59 3.757 1.903 2.763 1.00 10.00 N ATOM 587 CA ARG A 59 3.952 3.026 3.669 1.00 10.00 C ATOM 588 C ARG A 59 2.634 3.472 4.296 1.00 10.00 C ATOM 589 O ARG A 59 2.595 3.904 5.448 1.00 10.00 O ATOM 590 CB ARG A 59 4.643 4.185 2.945 1.00 10.00 C ATOM 591 CG ARG A 59 6.161 4.072 2.917 1.00 10.00 C ATOM 592 CD ARG A 59 6.815 5.044 3.890 1.00 10.00 C ATOM 593 NE ARG A 59 6.299 4.910 5.254 1.00 10.00 N ATOM 594 CZ ARG A 59 5.476 5.787 5.828 1.00 10.00 C ATOM 595 NH1 ARG A 59 5.060 6.851 5.155 1.00 10.00 N ATOM 596 NH2 ARG A 59 5.067 5.589 7.073 1.00 10.00 N ATOM 0 H ARG A 59 3.896 2.133 1.779 1.00 10.00 H new ATOM 0 HA ARG A 59 4.600 2.696 4.481 1.00 10.00 H new ATOM 0 HB2 ARG A 59 4.272 4.235 1.921 1.00 10.00 H new ATOM 0 HB3 ARG A 59 4.366 5.121 3.430 1.00 10.00 H new ATOM 0 HG2 ARG A 59 6.455 3.053 3.168 1.00 10.00 H new ATOM 0 HG3 ARG A 59 6.522 4.269 1.908 1.00 10.00 H new ATOM 0 HD2 ARG A 59 7.892 4.877 3.895 1.00 10.00 H new ATOM 0 HD3 ARG A 59 6.652 6.064 3.543 1.00 10.00 H new ATOM 0 HE ARG A 59 6.587 4.096 5.797 1.00 10.00 H new ATOM 0 HH11 ARG A 59 5.370 7.000 4.195 1.00 10.00 H new ATOM 0 HH12 ARG A 59 4.430 7.520 5.598 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.382 4.767 7.589 1.00 10.00 H new ATOM 0 HH22 ARG A 59 4.437 6.258 7.515 1.00 10.00 H new ATOM 603 N VAL A 60 1.547 3.357 3.543 1.00 10.00 N ATOM 604 CA VAL A 60 0.239 3.738 4.057 1.00 10.00 C ATOM 605 C VAL A 60 -0.364 2.592 4.875 1.00 10.00 C ATOM 606 O VAL A 60 -1.194 2.810 5.759 1.00 10.00 O ATOM 607 CB VAL A 60 -0.729 4.211 2.942 1.00 10.00 C ATOM 608 CG1 VAL A 60 -1.300 3.045 2.147 1.00 10.00 C ATOM 609 CG2 VAL A 60 -1.838 5.076 3.517 1.00 10.00 C ATOM 0 H VAL A 60 1.545 3.007 2.585 1.00 10.00 H new ATOM 0 HA VAL A 60 0.385 4.597 4.712 1.00 10.00 H new ATOM 0 HB VAL A 60 -0.148 4.817 2.247 1.00 10.00 H new ATOM 0 HG11 VAL A 60 -1.972 3.424 1.377 1.00 10.00 H new ATOM 0 HG12 VAL A 60 -0.487 2.492 1.678 1.00 10.00 H new ATOM 0 HG13 VAL A 60 -1.850 2.383 2.816 1.00 10.00 H new ATOM 0 HG21 VAL A 60 -2.504 5.395 2.715 1.00 10.00 H new ATOM 0 HG22 VAL A 60 -2.404 4.502 4.251 1.00 10.00 H new ATOM 0 HG23 VAL A 60 -1.404 5.952 3.998 1.00 10.00 H new ATOM 611 N LYS A 61 0.088 1.371 4.590 1.00 10.00 N ATOM 612 CA LYS A 61 -0.385 0.192 5.300 1.00 10.00 C ATOM 613 C LYS A 61 0.118 0.205 6.739 1.00 10.00 C ATOM 614 O LYS A 61 -0.654 -0.015 7.677 1.00 10.00 O ATOM 615 CB LYS A 61 0.082 -1.081 4.587 1.00 10.00 C ATOM 616 CG LYS A 61 -0.484 -2.368 5.165 1.00 10.00 C ATOM 617 CD LYS A 61 0.077 -3.591 4.454 1.00 10.00 C ATOM 618 CE LYS A 61 -0.467 -3.725 3.037 1.00 10.00 C ATOM 619 NZ LYS A 61 -1.857 -4.252 3.010 1.00 10.00 N ATOM 0 H LYS A 61 0.783 1.177 3.869 1.00 10.00 H new ATOM 0 HA LYS A 61 -1.475 0.206 5.311 1.00 10.00 H new ATOM 0 HB2 LYS A 61 -0.196 -1.016 3.535 1.00 10.00 H new ATOM 0 HB3 LYS A 61 1.170 -1.127 4.627 1.00 10.00 H new ATOM 0 HG2 LYS A 61 -0.250 -2.425 6.228 1.00 10.00 H new ATOM 0 HG3 LYS A 61 -1.570 -2.361 5.077 1.00 10.00 H new ATOM 0 HD2 LYS A 61 1.164 -3.524 4.420 1.00 10.00 H new ATOM 0 HD3 LYS A 61 -0.170 -4.487 5.024 1.00 10.00 H new ATOM 0 HE2 LYS A 61 -0.441 -2.751 2.547 1.00 10.00 H new ATOM 0 HE3 LYS A 61 0.181 -4.388 2.463 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 -2.182 -4.325 2.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 -1.880 -5.193 3.453 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 -2.483 -3.607 3.534 1.00 10.00 H new ATOM 624 N GLU A 62 1.411 0.481 6.910 1.00 10.00 N ATOM 625 CA GLU A 62 2.010 0.530 8.241 1.00 10.00 C ATOM 626 C GLU A 62 1.412 1.670 9.060 1.00 10.00 C ATOM 627 O GLU A 62 1.319 1.589 10.284 1.00 10.00 O ATOM 628 CB GLU A 62 3.537 0.636 8.172 1.00 10.00 C ATOM 629 CG GLU A 62 4.061 1.756 7.292 1.00 10.00 C ATOM 630 CD GLU A 62 5.559 1.936 7.414 1.00 10.00 C ATOM 631 OE1 GLU A 62 6.285 0.921 7.449 1.00 10.00 O ATOM 632 OE2 GLU A 62 6.020 3.090 7.493 1.00 10.00 O ATOM 0 H GLU A 62 2.060 0.673 6.147 1.00 10.00 H new ATOM 0 HA GLU A 62 1.777 -0.408 8.744 1.00 10.00 H new ATOM 0 HB2 GLU A 62 3.923 0.776 9.182 1.00 10.00 H new ATOM 0 HB3 GLU A 62 3.936 -0.310 7.807 1.00 10.00 H new ATOM 0 HG2 GLU A 62 3.807 1.547 6.253 1.00 10.00 H new ATOM 0 HG3 GLU A 62 3.563 2.688 7.560 1.00 10.00 H new ATOM 634 N LYS A 63 0.996 2.722 8.359 1.00 10.00 N ATOM 635 CA LYS A 63 0.373 3.885 8.981 1.00 10.00 C ATOM 636 C LYS A 63 -0.907 3.454 9.697 1.00 10.00 C ATOM 637 O LYS A 63 -1.191 3.883 10.818 1.00 10.00 O ATOM 638 CB LYS A 63 0.054 4.924 7.897 1.00 10.00 C ATOM 639 CG LYS A 63 -0.761 6.121 8.355 1.00 10.00 C ATOM 640 CD LYS A 63 -1.171 6.975 7.168 1.00 10.00 C ATOM 641 CE LYS A 63 -1.861 8.257 7.604 1.00 10.00 C ATOM 642 NZ LYS A 63 -2.302 9.061 6.435 1.00 10.00 N ATOM 0 H LYS A 63 1.082 2.791 7.345 1.00 10.00 H new ATOM 0 HA LYS A 63 1.052 4.327 9.710 1.00 10.00 H new ATOM 0 HB2 LYS A 63 0.993 5.285 7.478 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -0.485 4.427 7.090 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -1.648 5.781 8.889 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -0.177 6.719 9.055 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -0.290 7.220 6.576 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -1.839 6.404 6.523 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -2.722 8.015 8.226 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -1.181 8.847 8.218 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -2.769 9.929 6.767 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -1.476 9.312 5.855 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -2.970 8.505 5.864 1.00 10.00 H new ATOM 647 N LYS A 64 -1.656 2.570 9.046 1.00 10.00 N ATOM 648 CA LYS A 64 -2.899 2.055 9.598 1.00 10.00 C ATOM 649 C LYS A 64 -2.614 1.174 10.811 1.00 10.00 C ATOM 650 O LYS A 64 -3.356 1.200 11.794 1.00 10.00 O ATOM 651 CB LYS A 64 -3.658 1.253 8.538 1.00 10.00 C ATOM 652 CG LYS A 64 -4.989 0.695 9.012 1.00 10.00 C ATOM 653 CD LYS A 64 -5.204 -0.726 8.518 1.00 10.00 C ATOM 654 CE LYS A 64 -4.244 -1.704 9.178 1.00 10.00 C ATOM 655 NZ LYS A 64 -4.628 -3.117 8.921 1.00 10.00 N ATOM 0 H LYS A 64 -1.419 2.194 8.128 1.00 10.00 H new ATOM 0 HA LYS A 64 -3.515 2.898 9.911 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.832 1.891 7.672 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -3.029 0.428 8.204 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -5.025 0.712 10.101 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -5.799 1.332 8.656 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -6.231 -1.030 8.722 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.071 -0.759 7.437 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.235 -1.529 8.806 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -4.223 -1.523 10.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.949 -3.752 9.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.581 -3.292 9.299 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.623 -3.297 7.897 1.00 10.00 H new ATOM 660 N VAL A 65 -1.530 0.405 10.736 1.00 10.00 N ATOM 661 CA VAL A 65 -1.140 -0.484 11.826 1.00 10.00 C ATOM 662 C VAL A 65 -0.895 0.316 13.102 1.00 10.00 C ATOM 663 O VAL A 65 -1.416 -0.024 14.164 1.00 10.00 O ATOM 664 CB VAL A 65 0.123 -1.306 11.480 1.00 10.00 C ATOM 665 CG1 VAL A 65 0.483 -2.250 12.619 1.00 10.00 C ATOM 666 CG2 VAL A 65 -0.080 -2.083 10.187 1.00 10.00 C ATOM 0 H VAL A 65 -0.906 0.380 9.930 1.00 10.00 H new ATOM 0 HA VAL A 65 -1.963 -1.181 11.982 1.00 10.00 H new ATOM 0 HB VAL A 65 0.951 -0.611 11.338 1.00 10.00 H new ATOM 0 HG11 VAL A 65 1.375 -2.818 12.353 1.00 10.00 H new ATOM 0 HG12 VAL A 65 0.677 -1.672 13.523 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -0.344 -2.937 12.798 1.00 10.00 H new ATOM 0 HG21 VAL A 65 0.820 -2.655 9.961 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -0.924 -2.764 10.300 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -0.282 -1.387 9.372 1.00 10.00 H new ATOM 668 N ILE A 66 -0.125 1.394 12.982 1.00 10.00 N ATOM 669 CA ILE A 66 0.178 2.249 14.127 1.00 10.00 C ATOM 670 C ILE A 66 -1.100 2.911 14.642 1.00 10.00 C ATOM 671 O ILE A 66 -1.309 3.032 15.849 1.00 10.00 O ATOM 672 CB ILE A 66 1.208 3.343 13.759 1.00 10.00 C ATOM 673 CG1 ILE A 66 2.453 2.710 13.130 1.00 10.00 C ATOM 674 CG2 ILE A 66 1.589 4.159 14.989 1.00 10.00 C ATOM 675 CD1 ILE A 66 3.355 3.700 12.418 1.00 10.00 C ATOM 0 H ILE A 66 0.300 1.696 12.105 1.00 10.00 H new ATOM 0 HA ILE A 66 0.607 1.618 14.905 1.00 10.00 H new ATOM 0 HB ILE A 66 0.752 4.015 13.031 1.00 10.00 H new ATOM 0 HG12 ILE A 66 3.026 2.207 13.909 1.00 10.00 H new ATOM 0 HG13 ILE A 66 2.140 1.944 12.421 1.00 10.00 H new ATOM 0 HG21 ILE A 66 2.314 4.923 14.709 1.00 10.00 H new ATOM 0 HG22 ILE A 66 0.699 4.637 15.399 1.00 10.00 H new ATOM 0 HG23 ILE A 66 2.027 3.502 15.740 1.00 10.00 H new ATOM 0 HD11 ILE A 66 4.214 3.175 12.000 1.00 10.00 H new ATOM 0 HD12 ILE A 66 2.800 4.185 11.615 1.00 10.00 H new ATOM 0 HD13 ILE A 66 3.700 4.453 13.127 1.00 10.00 H new ATOM 677 N ASN A 67 -1.959 3.309 13.710 1.00 10.00 N ATOM 678 CA ASN A 67 -3.225 3.957 14.044 1.00 10.00 C ATOM 679 C ASN A 67 -4.089 3.070 14.943 1.00 10.00 C ATOM 680 O ASN A 67 -4.664 3.532 15.929 1.00 10.00 O ATOM 681 CB ASN A 67 -3.993 4.297 12.763 1.00 10.00 C ATOM 682 CG ASN A 67 -5.285 5.050 13.024 1.00 10.00 C ATOM 683 OD1 ASN A 67 -5.364 5.880 13.928 1.00 10.00 O ATOM 684 ND2 ASN A 67 -6.308 4.766 12.233 1.00 10.00 N ATOM 0 H ASN A 67 -1.801 3.194 12.709 1.00 10.00 H new ATOM 0 HA ASN A 67 -2.997 4.873 14.590 1.00 10.00 H new ATOM 0 HB2 ASN A 67 -3.356 4.896 12.113 1.00 10.00 H new ATOM 0 HB3 ASN A 67 -4.219 3.375 12.227 1.00 10.00 H new ATOM 0 HD21 ASN A 67 -7.201 5.242 12.363 1.00 10.00 H new ATOM 0 HD22 ASN A 67 -6.203 4.071 11.494 1.00 10.00 H new ATOM 688 N LYS A 68 -4.165 1.790 14.604 1.00 10.00 N ATOM 689 CA LYS A 68 -4.968 0.845 15.372 1.00 10.00 C ATOM 690 C LYS A 68 -4.242 0.354 16.621 1.00 10.00 C ATOM 691 O LYS A 68 -4.880 -0.031 17.603 1.00 10.00 O ATOM 692 CB LYS A 68 -5.424 -0.329 14.503 1.00 10.00 C ATOM 693 CG LYS A 68 -6.394 0.063 13.398 1.00 10.00 C ATOM 694 CD LYS A 68 -7.636 0.740 13.964 1.00 10.00 C ATOM 695 CE LYS A 68 -8.251 1.703 12.961 1.00 10.00 C ATOM 696 NZ LYS A 68 -9.366 1.089 12.195 1.00 10.00 N ATOM 0 H LYS A 68 -3.682 1.382 13.804 1.00 10.00 H new ATOM 0 HA LYS A 68 -5.855 1.382 15.708 1.00 10.00 H new ATOM 0 HB2 LYS A 68 -4.548 -0.798 14.055 1.00 10.00 H new ATOM 0 HB3 LYS A 68 -5.896 -1.077 15.139 1.00 10.00 H new ATOM 0 HG2 LYS A 68 -5.898 0.735 12.698 1.00 10.00 H new ATOM 0 HG3 LYS A 68 -6.685 -0.824 12.836 1.00 10.00 H new ATOM 0 HD2 LYS A 68 -8.370 -0.017 14.241 1.00 10.00 H new ATOM 0 HD3 LYS A 68 -7.375 1.279 14.875 1.00 10.00 H new ATOM 0 HE2 LYS A 68 -8.617 2.585 13.486 1.00 10.00 H new ATOM 0 HE3 LYS A 68 -7.481 2.042 12.268 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 -9.752 1.785 11.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 -9.014 0.263 11.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 -10.115 0.789 12.852 1.00 10.00 H new ATOM 701 N LEU A 69 -2.912 0.386 16.586 1.00 10.00 N ATOM 702 CA LEU A 69 -2.097 -0.050 17.717 1.00 10.00 C ATOM 703 C LEU A 69 -2.377 0.797 18.957 1.00 10.00 C ATOM 704 O LEU A 69 -2.198 0.343 20.089 1.00 10.00 O ATOM 705 CB LEU A 69 -0.610 0.016 17.356 1.00 10.00 C ATOM 706 CG LEU A 69 0.362 -0.634 18.345 1.00 10.00 C ATOM 707 CD1 LEU A 69 0.200 -2.148 18.337 1.00 10.00 C ATOM 708 CD2 LEU A 69 1.796 -0.244 18.028 1.00 10.00 C ATOM 0 H LEU A 69 -2.374 0.711 15.783 1.00 10.00 H new ATOM 0 HA LEU A 69 -2.362 -1.082 17.945 1.00 10.00 H new ATOM 0 HB2 LEU A 69 -0.474 -0.456 16.383 1.00 10.00 H new ATOM 0 HB3 LEU A 69 -0.332 1.064 17.243 1.00 10.00 H new ATOM 0 HG LEU A 69 0.126 -0.270 19.345 1.00 10.00 H new ATOM 0 HD11 LEU A 69 0.899 -2.592 19.046 1.00 10.00 H new ATOM 0 HD12 LEU A 69 -0.820 -2.406 18.622 1.00 10.00 H new ATOM 0 HD13 LEU A 69 0.405 -2.531 17.337 1.00 10.00 H new ATOM 0 HD21 LEU A 69 2.468 -0.717 18.743 1.00 10.00 H new ATOM 0 HD22 LEU A 69 2.048 -0.573 17.020 1.00 10.00 H new ATOM 0 HD23 LEU A 69 1.901 0.839 18.093 1.00 10.00 H new ATOM 710 N LYS A 70 -2.832 2.025 18.729 1.00 10.00 N ATOM 711 CA LYS A 70 -3.152 2.951 19.812 1.00 10.00 C ATOM 712 C LYS A 70 -4.202 2.357 20.748 1.00 10.00 C ATOM 713 O LYS A 70 -4.127 2.531 21.963 1.00 10.00 O ATOM 714 CB LYS A 70 -3.638 4.287 19.244 1.00 10.00 C ATOM 715 CG LYS A 70 -2.631 4.973 18.330 1.00 10.00 C ATOM 716 CD LYS A 70 -2.117 6.272 18.931 1.00 10.00 C ATOM 717 CE LYS A 70 -2.977 7.459 18.525 1.00 10.00 C ATOM 718 NZ LYS A 70 -2.993 7.659 17.051 1.00 10.00 N ATOM 0 H LYS A 70 -2.989 2.405 17.796 1.00 10.00 H new ATOM 0 HA LYS A 70 -2.244 3.125 20.389 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -4.562 4.120 18.690 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -3.878 4.956 20.070 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -1.793 4.302 18.144 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -3.096 5.177 17.365 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -2.101 6.189 20.018 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -1.089 6.440 18.609 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -3.996 7.307 18.881 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -2.602 8.361 19.009 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -3.155 8.664 16.839 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -2.080 7.363 16.651 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -3.756 7.090 16.632 1.00 10.00 H new ATOM 723 N THR A 71 -5.160 1.630 20.170 1.00 10.00 N ATOM 724 CA THR A 71 -6.234 0.992 20.934 1.00 10.00 C ATOM 725 C THR A 71 -6.962 1.982 21.849 1.00 10.00 C ATOM 726 O THR A 71 -6.912 1.879 23.076 1.00 10.00 O ATOM 727 CB THR A 71 -5.712 -0.208 21.746 1.00 10.00 C ATOM 728 OG1 THR A 71 -4.684 -0.867 20.995 1.00 10.00 O ATOM 729 CG2 THR A 71 -6.836 -1.195 22.020 1.00 10.00 C ATOM 0 H THR A 71 -5.214 1.467 19.164 1.00 10.00 H new ATOM 0 HA THR A 71 -6.957 0.626 20.205 1.00 10.00 H new ATOM 0 HB THR A 71 -5.318 0.152 22.697 1.00 10.00 H new ATOM 0 HG1 THR A 71 -3.891 -0.293 20.953 1.00 10.00 H new ATOM 0 HG21 THR A 71 -6.449 -2.037 22.595 1.00 10.00 H new ATOM 0 HG22 THR A 71 -7.625 -0.700 22.587 1.00 10.00 H new ATOM 0 HG23 THR A 71 -7.241 -1.557 21.075 1.00 10.00 H new ATOM 732 N THR A 72 -7.633 2.943 21.237 1.00 10.00 N ATOM 733 CA THR A 72 -8.375 3.954 21.977 1.00 10.00 C ATOM 734 C THR A 72 -9.802 4.060 21.435 1.00 10.00 C ATOM 735 O THR A 72 -10.555 4.974 21.782 1.00 10.00 O ATOM 736 CB THR A 72 -7.662 5.328 21.906 1.00 10.00 C ATOM 737 OG1 THR A 72 -8.419 6.331 22.595 1.00 10.00 O ATOM 738 CG2 THR A 72 -7.437 5.754 20.460 1.00 10.00 C ATOM 0 H THR A 72 -7.680 3.046 20.223 1.00 10.00 H new ATOM 0 HA THR A 72 -8.418 3.653 23.024 1.00 10.00 H new ATOM 0 HB THR A 72 -6.693 5.221 22.393 1.00 10.00 H new ATOM 0 HG1 THR A 72 -9.376 6.148 22.490 1.00 10.00 H new ATOM 0 HG21 THR A 72 -6.935 6.721 20.440 1.00 10.00 H new ATOM 0 HG22 THR A 72 -6.818 5.013 19.955 1.00 10.00 H new ATOM 0 HG23 THR A 72 -8.397 5.833 19.950 1.00 10.00 H new ATOM 741 N SER A 73 -10.170 3.103 20.596 1.00 10.00 N ATOM 742 CA SER A 73 -11.489 3.080 19.993 1.00 10.00 C ATOM 743 C SER A 73 -12.466 2.325 20.887 1.00 10.00 C ATOM 744 O SER A 73 -13.614 2.795 21.051 1.00 10.00 O ATOM 745 CB SER A 73 -11.417 2.428 18.614 1.00 10.00 C ATOM 746 OG SER A 73 -10.262 2.870 17.916 1.00 10.00 O ATOM 747 OXT SER A 73 -12.070 1.278 21.437 1.00 10.00 O ATOM 0 H SER A 73 -9.567 2.329 20.318 1.00 10.00 H new ATOM 0 HA SER A 73 -11.846 4.104 19.881 1.00 10.00 H new ATOM 0 HB2 SER A 73 -11.393 1.343 18.719 1.00 10.00 H new ATOM 0 HB3 SER A 73 -12.312 2.674 18.042 1.00 10.00 H new ATOM 0 HG SER A 73 -10.229 2.442 17.035 1.00 10.00 H new