USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 623 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 1 GLU N :NH3+ -171:sc= 0.981 (180deg=0.595) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 60:sc= 0.00765 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 10 THR OG1 : rot 97:sc= 0.907 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= -1.2! (180deg=-1.79!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.47 K(o=-0.47,f=-3.2!) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0466 (180deg=-0.376) USER MOD Single : A 25 TYR OH : rot 180:sc= -2.67! USER MOD Single : A 28 SER OG : rot 180:sc= -0.697 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0.811 (180deg=0.655) USER MOD Single : A 31 SER OG : rot -17:sc= 0.898 USER MOD Single : A 32 THR OG1 : rot -108:sc= -0.117 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.9!) USER MOD Single : A 45 TYR OH : rot -47:sc= 0.364 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0.867) USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= 0.832 (180deg=-1.17) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.15) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 25.731 -4.959 -10.312 1.00 0.00 N ATOM 2 CA GLU A 1 24.715 -5.367 -9.352 1.00 0.00 C ATOM 3 C GLU A 1 23.631 -4.333 -9.292 1.00 0.00 C ATOM 4 O GLU A 1 23.807 -3.258 -8.702 1.00 0.00 O ATOM 5 CB GLU A 1 25.290 -5.618 -7.943 1.00 0.00 C ATOM 6 CG GLU A 1 26.182 -6.853 -7.801 1.00 0.00 C ATOM 7 CD GLU A 1 27.489 -6.753 -8.532 1.00 0.00 C ATOM 8 OE1 GLU A 1 27.495 -6.844 -9.773 1.00 0.00 O ATOM 9 OE2 GLU A 1 28.532 -6.565 -7.882 1.00 0.00 O ATOM 0 H1 GLU A 1 26.399 -5.742 -10.465 1.00 0.00 H new ATOM 0 H2 GLU A 1 25.277 -4.711 -11.214 1.00 0.00 H new ATOM 0 H3 GLU A 1 26.244 -4.133 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 1 24.306 -6.316 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 1 25.864 -4.741 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 1 24.460 -5.710 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 1 26.382 -7.024 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 1 25.639 -7.724 -8.167 1.00 0.00 H new ATOM 18 N ASP A 2 22.525 -4.629 -9.908 1.00 0.00 N ATOM 19 CA ASP A 2 21.410 -3.720 -9.941 1.00 0.00 C ATOM 20 C ASP A 2 20.139 -4.499 -10.032 1.00 0.00 C ATOM 21 O ASP A 2 20.162 -5.722 -10.194 1.00 0.00 O ATOM 22 CB ASP A 2 21.502 -2.744 -11.129 1.00 0.00 C ATOM 23 CG ASP A 2 21.416 -3.430 -12.475 1.00 0.00 C ATOM 24 OD1 ASP A 2 20.307 -3.611 -12.999 1.00 0.00 O ATOM 25 OD2 ASP A 2 22.469 -3.788 -13.043 1.00 0.00 O ATOM 0 H ASP A 2 22.367 -5.507 -10.403 1.00 0.00 H new ATOM 0 HA ASP A 2 21.429 -3.131 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.699 -2.011 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 2 22.442 -2.196 -11.068 1.00 0.00 H new ATOM 30 N MET A 3 19.056 -3.806 -9.921 1.00 0.00 N ATOM 31 CA MET A 3 17.742 -4.356 -10.006 1.00 0.00 C ATOM 32 C MET A 3 16.835 -3.220 -10.350 1.00 0.00 C ATOM 33 O MET A 3 17.081 -2.094 -9.896 1.00 0.00 O ATOM 34 CB MET A 3 17.342 -4.978 -8.659 1.00 0.00 C ATOM 35 CG MET A 3 15.926 -5.526 -8.584 1.00 0.00 C ATOM 36 SD MET A 3 15.585 -6.277 -6.979 1.00 0.00 S ATOM 37 CE MET A 3 13.863 -6.706 -7.172 1.00 0.00 C ATOM 0 H MET A 3 19.061 -2.799 -9.762 1.00 0.00 H new ATOM 0 HA MET A 3 17.685 -5.144 -10.757 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.038 -5.786 -8.431 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.463 -4.224 -7.881 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.214 -4.721 -8.768 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.780 -6.266 -9.371 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.502 -7.182 -6.260 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.283 -5.804 -7.365 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.751 -7.395 -8.009 1.00 0.00 H new ATOM 47 N GLU A 4 15.848 -3.475 -11.174 1.00 0.00 N ATOM 48 CA GLU A 4 14.897 -2.457 -11.555 1.00 0.00 C ATOM 49 C GLU A 4 14.087 -2.071 -10.332 1.00 0.00 C ATOM 50 O GLU A 4 13.456 -2.944 -9.716 1.00 0.00 O ATOM 51 CB GLU A 4 13.963 -2.994 -12.621 1.00 0.00 C ATOM 52 CG GLU A 4 14.658 -3.474 -13.874 1.00 0.00 C ATOM 53 CD GLU A 4 13.697 -4.128 -14.811 1.00 0.00 C ATOM 54 OE1 GLU A 4 13.079 -3.432 -15.635 1.00 0.00 O ATOM 55 OE2 GLU A 4 13.507 -5.364 -14.708 1.00 0.00 O ATOM 0 H GLU A 4 15.681 -4.388 -11.598 1.00 0.00 H new ATOM 0 HA GLU A 4 15.427 -1.590 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.387 -3.819 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.252 -2.213 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.138 -2.631 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.446 -4.178 -13.608 1.00 0.00 H new ATOM 62 N PRO A 5 14.135 -0.798 -9.911 1.00 0.00 N ATOM 63 CA PRO A 5 13.384 -0.331 -8.766 1.00 0.00 C ATOM 64 C PRO A 5 11.892 -0.291 -9.054 1.00 0.00 C ATOM 65 O PRO A 5 11.344 0.723 -9.529 1.00 0.00 O ATOM 66 CB PRO A 5 13.926 1.082 -8.492 1.00 0.00 C ATOM 67 CG PRO A 5 15.165 1.176 -9.311 1.00 0.00 C ATOM 68 CD PRO A 5 14.943 0.281 -10.491 1.00 0.00 C ATOM 0 HA PRO A 5 13.501 -0.995 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.203 1.846 -8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.139 1.226 -7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.347 2.203 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.037 0.859 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.420 0.793 -11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.881 -0.089 -10.904 1.00 0.00 H new ATOM 76 N CYS A 6 11.260 -1.399 -8.849 1.00 0.00 N ATOM 77 CA CYS A 6 9.859 -1.511 -9.050 1.00 0.00 C ATOM 78 C CYS A 6 9.133 -1.130 -7.779 1.00 0.00 C ATOM 79 O CYS A 6 9.651 -1.331 -6.674 1.00 0.00 O ATOM 80 CB CYS A 6 9.493 -2.922 -9.512 1.00 0.00 C ATOM 81 SG CYS A 6 10.234 -3.375 -11.103 1.00 0.00 S ATOM 0 H CYS A 6 11.709 -2.259 -8.534 1.00 0.00 H new ATOM 0 HA CYS A 6 9.549 -0.825 -9.838 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.812 -3.638 -8.755 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.409 -3.001 -9.589 1.00 0.00 H new ATOM 0 HG CYS A 6 11.529 -3.312 -11.012 1.00 0.00 H new ATOM 87 N LEU A 7 7.976 -0.532 -7.921 1.00 0.00 N ATOM 88 CA LEU A 7 7.210 -0.133 -6.760 1.00 0.00 C ATOM 89 C LEU A 7 6.408 -1.313 -6.243 1.00 0.00 C ATOM 90 O LEU A 7 6.041 -1.369 -5.072 1.00 0.00 O ATOM 91 CB LEU A 7 6.298 1.093 -7.037 1.00 0.00 C ATOM 92 CG LEU A 7 5.014 0.902 -7.889 1.00 0.00 C ATOM 93 CD1 LEU A 7 4.254 2.206 -7.951 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.311 0.419 -9.300 1.00 0.00 C ATOM 0 H LEU A 7 7.545 -0.311 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 7 7.915 0.184 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.995 1.501 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.908 1.852 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 7 4.415 0.131 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.352 2.074 -8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.979 2.515 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.882 2.972 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.377 0.303 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.943 1.147 -9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.827 -0.540 -9.255 1.00 0.00 H new ATOM 106 N THR A 8 6.186 -2.266 -7.105 1.00 0.00 N ATOM 107 CA THR A 8 5.469 -3.456 -6.781 1.00 0.00 C ATOM 108 C THR A 8 6.303 -4.359 -5.868 1.00 0.00 C ATOM 109 O THR A 8 7.529 -4.468 -6.026 1.00 0.00 O ATOM 110 CB THR A 8 5.075 -4.170 -8.078 1.00 0.00 C ATOM 111 OG1 THR A 8 6.194 -4.134 -8.986 1.00 0.00 O ATOM 112 CG2 THR A 8 3.888 -3.477 -8.720 1.00 0.00 C ATOM 0 H THR A 8 6.508 -2.231 -8.072 1.00 0.00 H new ATOM 0 HA THR A 8 4.562 -3.202 -6.233 1.00 0.00 H new ATOM 0 HB THR A 8 4.802 -5.201 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.954 -4.590 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.619 -3.995 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.042 -3.494 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.150 -2.444 -8.948 1.00 0.00 H new ATOM 120 N GLY A 9 5.658 -4.940 -4.884 1.00 0.00 N ATOM 121 CA GLY A 9 6.346 -5.788 -3.939 1.00 0.00 C ATOM 122 C GLY A 9 6.766 -5.025 -2.698 1.00 0.00 C ATOM 123 O GLY A 9 7.070 -5.622 -1.662 1.00 0.00 O ATOM 0 H GLY A 9 4.657 -4.841 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.697 -6.616 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.226 -6.222 -4.414 1.00 0.00 H new ATOM 127 N THR A 10 6.790 -3.709 -2.805 1.00 0.00 N ATOM 128 CA THR A 10 7.158 -2.848 -1.703 1.00 0.00 C ATOM 129 C THR A 10 6.096 -2.924 -0.622 1.00 0.00 C ATOM 130 O THR A 10 4.907 -2.719 -0.896 1.00 0.00 O ATOM 131 CB THR A 10 7.270 -1.398 -2.184 1.00 0.00 C ATOM 132 OG1 THR A 10 8.123 -1.349 -3.338 1.00 0.00 O ATOM 133 CG2 THR A 10 7.826 -0.478 -1.102 1.00 0.00 C ATOM 0 H THR A 10 6.554 -3.209 -3.662 1.00 0.00 H new ATOM 0 HA THR A 10 8.119 -3.176 -1.307 1.00 0.00 H new ATOM 0 HB THR A 10 6.268 -1.048 -2.433 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.575 -1.348 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.888 0.540 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.168 -0.498 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.820 -0.817 -0.811 1.00 0.00 H new ATOM 141 N LYS A 11 6.517 -3.243 0.566 1.00 0.00 N ATOM 142 CA LYS A 11 5.621 -3.347 1.682 1.00 0.00 C ATOM 143 C LYS A 11 5.489 -1.994 2.338 1.00 0.00 C ATOM 144 O LYS A 11 6.439 -1.462 2.916 1.00 0.00 O ATOM 145 CB LYS A 11 6.073 -4.437 2.659 1.00 0.00 C ATOM 146 CG LYS A 11 6.165 -5.808 1.998 1.00 0.00 C ATOM 147 CD LYS A 11 6.599 -6.894 2.960 1.00 0.00 C ATOM 148 CE LYS A 11 6.664 -8.243 2.252 1.00 0.00 C ATOM 149 NZ LYS A 11 7.104 -9.334 3.138 1.00 0.00 N ATOM 0 H LYS A 11 7.493 -3.439 0.790 1.00 0.00 H new ATOM 0 HA LYS A 11 4.635 -3.652 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.046 -4.170 3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.374 -4.485 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.194 -6.069 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.871 -5.760 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.576 -6.649 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.900 -6.949 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.681 -8.484 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.347 -8.171 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.129 -10.226 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.054 -9.122 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.439 -9.425 3.933 1.00 0.00 H new ATOM 163 N VAL A 12 4.326 -1.429 2.188 1.00 0.00 N ATOM 164 CA VAL A 12 4.028 -0.103 2.642 1.00 0.00 C ATOM 165 C VAL A 12 2.970 -0.141 3.739 1.00 0.00 C ATOM 166 O VAL A 12 2.472 -1.221 4.127 1.00 0.00 O ATOM 167 CB VAL A 12 3.492 0.776 1.470 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.522 0.889 0.356 1.00 0.00 C ATOM 169 CG2 VAL A 12 2.184 0.205 0.920 1.00 0.00 C ATOM 0 H VAL A 12 3.538 -1.891 1.734 1.00 0.00 H new ATOM 0 HA VAL A 12 4.951 0.327 3.030 1.00 0.00 H new ATOM 0 HB VAL A 12 3.301 1.774 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.122 1.507 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.432 1.345 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.751 -0.104 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.828 0.833 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.355 -0.806 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.436 0.181 1.712 1.00 0.00 H new ATOM 179 N LYS A 13 2.625 1.010 4.212 1.00 0.00 N ATOM 180 CA LYS A 13 1.611 1.175 5.191 1.00 0.00 C ATOM 181 C LYS A 13 0.444 1.894 4.498 1.00 0.00 C ATOM 182 O LYS A 13 0.676 2.784 3.695 1.00 0.00 O ATOM 183 CB LYS A 13 2.185 2.025 6.310 1.00 0.00 C ATOM 184 CG LYS A 13 2.212 1.395 7.684 1.00 0.00 C ATOM 185 CD LYS A 13 0.830 1.097 8.163 1.00 0.00 C ATOM 186 CE LYS A 13 0.754 0.962 9.667 1.00 0.00 C ATOM 187 NZ LYS A 13 1.596 -0.124 10.226 1.00 0.00 N ATOM 0 H LYS A 13 3.056 1.886 3.917 1.00 0.00 H new ATOM 0 HA LYS A 13 1.266 0.230 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.204 2.302 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.609 2.948 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.797 0.476 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.707 2.066 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.158 1.891 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.480 0.174 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.053 1.907 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.283 0.785 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.020 -0.722 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.978 -0.702 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.381 0.290 10.768 1.00 0.00 H new ATOM 201 N VAL A 14 -0.779 1.499 4.765 1.00 0.00 N ATOM 202 CA VAL A 14 -1.946 2.079 4.077 1.00 0.00 C ATOM 203 C VAL A 14 -3.012 2.504 5.092 1.00 0.00 C ATOM 204 O VAL A 14 -3.286 1.780 6.030 1.00 0.00 O ATOM 205 CB VAL A 14 -2.574 1.044 3.078 1.00 0.00 C ATOM 206 CG1 VAL A 14 -3.786 1.620 2.366 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.549 0.567 2.056 1.00 0.00 C ATOM 0 H VAL A 14 -1.008 0.780 5.451 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.604 2.952 3.522 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.898 0.189 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.194 0.876 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.544 1.893 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.491 2.506 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.016 -0.149 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.181 1.419 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.716 0.089 2.572 1.00 0.00 H new ATOM 217 N LYS A 15 -3.612 3.663 4.894 1.00 0.00 N ATOM 218 CA LYS A 15 -4.657 4.150 5.794 1.00 0.00 C ATOM 219 C LYS A 15 -5.992 4.068 5.097 1.00 0.00 C ATOM 220 O LYS A 15 -6.274 4.863 4.224 1.00 0.00 O ATOM 221 CB LYS A 15 -4.405 5.608 6.193 1.00 0.00 C ATOM 222 CG LYS A 15 -3.112 5.828 6.926 1.00 0.00 C ATOM 223 CD LYS A 15 -2.973 7.244 7.488 1.00 0.00 C ATOM 224 CE LYS A 15 -3.005 8.325 6.411 1.00 0.00 C ATOM 225 NZ LYS A 15 -2.810 9.672 6.993 1.00 0.00 N ATOM 0 H LYS A 15 -3.398 4.290 4.119 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.650 3.531 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.411 6.226 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.229 5.950 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.038 5.111 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.280 5.629 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.778 7.426 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.036 7.318 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.227 8.129 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.959 8.289 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.837 10.385 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.567 9.867 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.889 9.712 7.474 1.00 0.00 H new ATOM 239 N TYR A 16 -6.814 3.134 5.472 1.00 0.00 N ATOM 240 CA TYR A 16 -8.052 2.944 4.762 1.00 0.00 C ATOM 241 C TYR A 16 -9.218 2.670 5.702 1.00 0.00 C ATOM 242 O TYR A 16 -9.242 1.678 6.440 1.00 0.00 O ATOM 243 CB TYR A 16 -7.885 1.827 3.713 1.00 0.00 C ATOM 244 CG TYR A 16 -9.111 1.525 2.858 1.00 0.00 C ATOM 245 CD1 TYR A 16 -9.400 2.284 1.730 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.956 0.464 3.163 1.00 0.00 C ATOM 247 CE1 TYR A 16 -10.493 1.995 0.935 1.00 0.00 C ATOM 248 CE2 TYR A 16 -11.048 0.173 2.379 1.00 0.00 C ATOM 249 CZ TYR A 16 -11.315 0.938 1.266 1.00 0.00 C ATOM 250 OH TYR A 16 -12.407 0.637 0.472 1.00 0.00 O ATOM 0 H TYR A 16 -6.657 2.498 6.254 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.295 3.872 4.245 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.062 2.098 3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.592 0.912 4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.759 3.114 1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.751 -0.143 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.702 2.593 0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.694 -0.653 2.636 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.880 -0.136 0.845 1.00 0.00 H new ATOM 260 N GLY A 17 -10.066 3.631 5.816 1.00 0.00 N ATOM 261 CA GLY A 17 -11.330 3.442 6.446 1.00 0.00 C ATOM 262 C GLY A 17 -12.066 4.738 6.499 1.00 0.00 C ATOM 263 O GLY A 17 -11.480 5.781 6.187 1.00 0.00 O ATOM 0 H GLY A 17 -9.903 4.578 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.914 2.704 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.190 3.051 7.454 1.00 0.00 H new ATOM 267 N ARG A 18 -13.317 4.711 6.878 1.00 0.00 N ATOM 268 CA ARG A 18 -14.061 5.939 7.022 1.00 0.00 C ATOM 269 C ARG A 18 -14.507 6.151 8.479 1.00 0.00 C ATOM 270 O ARG A 18 -15.243 5.342 9.026 1.00 0.00 O ATOM 271 CB ARG A 18 -15.209 6.046 5.967 1.00 0.00 C ATOM 272 CG ARG A 18 -16.305 4.954 5.972 1.00 0.00 C ATOM 273 CD ARG A 18 -17.424 5.251 6.969 1.00 0.00 C ATOM 274 NE ARG A 18 -18.546 4.309 6.852 1.00 0.00 N ATOM 275 CZ ARG A 18 -19.779 4.521 7.345 1.00 0.00 C ATOM 276 NH1 ARG A 18 -20.063 5.664 7.980 1.00 0.00 N ATOM 277 NH2 ARG A 18 -20.729 3.605 7.173 1.00 0.00 N ATOM 0 H ARG A 18 -13.840 3.862 7.091 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.400 6.776 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.698 7.011 6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.753 6.056 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.729 4.865 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.853 3.992 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.024 5.211 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.788 6.266 6.810 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.377 3.431 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.343 6.378 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -20.999 5.821 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -20.521 2.744 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -21.665 3.764 7.546 1.00 0.00 H new ATOM 291 N GLY A 19 -13.980 7.201 9.106 1.00 0.00 N ATOM 292 CA GLY A 19 -14.316 7.562 10.492 1.00 0.00 C ATOM 293 C GLY A 19 -14.088 6.441 11.509 1.00 0.00 C ATOM 294 O GLY A 19 -12.959 6.131 11.875 1.00 0.00 O ATOM 0 H GLY A 19 -13.306 7.830 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.721 8.428 10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.362 7.866 10.532 1.00 0.00 H new ATOM 298 N LYS A 20 -15.168 5.818 11.920 1.00 0.00 N ATOM 299 CA LYS A 20 -15.159 4.730 12.897 1.00 0.00 C ATOM 300 C LYS A 20 -14.530 3.484 12.263 1.00 0.00 C ATOM 301 O LYS A 20 -13.904 2.661 12.932 1.00 0.00 O ATOM 302 CB LYS A 20 -16.632 4.492 13.367 1.00 0.00 C ATOM 303 CG LYS A 20 -16.892 3.377 14.392 1.00 0.00 C ATOM 304 CD LYS A 20 -16.994 1.989 13.756 1.00 0.00 C ATOM 305 CE LYS A 20 -17.280 0.937 14.810 1.00 0.00 C ATOM 306 NZ LYS A 20 -17.370 -0.427 14.242 1.00 0.00 N ATOM 0 H LYS A 20 -16.102 6.051 11.583 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.557 4.977 13.772 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.003 5.426 13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.234 4.280 12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.089 3.374 15.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.816 3.593 14.929 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.785 1.984 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.064 1.751 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.494 0.961 15.565 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.215 1.179 15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.567 -1.108 15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.137 -0.461 13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.470 -0.672 13.783 1.00 0.00 H new ATOM 320 N THR A 21 -14.655 3.408 10.972 1.00 0.00 N ATOM 321 CA THR A 21 -14.172 2.307 10.184 1.00 0.00 C ATOM 322 C THR A 21 -12.692 2.567 9.756 1.00 0.00 C ATOM 323 O THR A 21 -12.071 1.745 9.076 1.00 0.00 O ATOM 324 CB THR A 21 -15.084 2.216 8.937 1.00 0.00 C ATOM 325 OG1 THR A 21 -16.452 2.331 9.365 1.00 0.00 O ATOM 326 CG2 THR A 21 -14.919 0.903 8.186 1.00 0.00 C ATOM 0 H THR A 21 -15.110 4.133 10.417 1.00 0.00 H new ATOM 0 HA THR A 21 -14.195 1.376 10.750 1.00 0.00 H new ATOM 0 HB THR A 21 -14.802 3.021 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.044 2.277 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.582 0.893 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.886 0.802 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.171 0.072 8.846 1.00 0.00 H new ATOM 334 N GLN A 22 -12.132 3.708 10.187 1.00 0.00 N ATOM 335 CA GLN A 22 -10.778 4.099 9.806 1.00 0.00 C ATOM 336 C GLN A 22 -9.774 3.195 10.484 1.00 0.00 C ATOM 337 O GLN A 22 -9.690 3.150 11.725 1.00 0.00 O ATOM 338 CB GLN A 22 -10.520 5.573 10.175 1.00 0.00 C ATOM 339 CG GLN A 22 -9.379 6.289 9.420 1.00 0.00 C ATOM 340 CD GLN A 22 -7.989 5.722 9.633 1.00 0.00 C ATOM 341 OE1 GLN A 22 -7.302 6.072 10.581 1.00 0.00 O ATOM 342 NE2 GLN A 22 -7.527 4.943 8.697 1.00 0.00 N ATOM 0 H GLN A 22 -12.602 4.373 10.801 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.669 3.996 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.441 6.131 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.306 5.624 11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.602 6.263 8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.373 7.337 9.719 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.127 4.669 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.565 4.606 8.742 1.00 0.00 H new ATOM 351 N LYS A 23 -9.049 2.453 9.681 1.00 0.00 N ATOM 352 CA LYS A 23 -8.000 1.612 10.181 1.00 0.00 C ATOM 353 C LYS A 23 -6.807 1.659 9.276 1.00 0.00 C ATOM 354 O LYS A 23 -6.916 2.039 8.111 1.00 0.00 O ATOM 355 CB LYS A 23 -8.468 0.191 10.490 1.00 0.00 C ATOM 356 CG LYS A 23 -9.307 -0.467 9.454 1.00 0.00 C ATOM 357 CD LYS A 23 -9.710 -1.809 9.980 1.00 0.00 C ATOM 358 CE LYS A 23 -10.748 -2.476 9.120 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.009 -1.701 9.050 1.00 0.00 N ATOM 0 H LYS A 23 -9.172 2.418 8.669 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.690 2.014 11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.588 -0.429 10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.031 0.212 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.187 0.137 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.751 -0.572 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.830 -2.449 10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.098 -1.697 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.351 -2.609 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.958 -3.470 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.777 -2.318 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.244 -1.334 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.892 -0.906 8.389 1.00 0.00 H new ATOM 373 N ILE A 24 -5.671 1.341 9.807 1.00 0.00 N ATOM 374 CA ILE A 24 -4.457 1.443 9.060 1.00 0.00 C ATOM 375 C ILE A 24 -3.876 0.040 8.897 1.00 0.00 C ATOM 376 O ILE A 24 -3.695 -0.676 9.884 1.00 0.00 O ATOM 377 CB ILE A 24 -3.406 2.417 9.741 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.986 3.830 10.048 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.192 2.580 8.863 1.00 0.00 C ATOM 380 CD1 ILE A 24 -4.888 3.927 11.276 1.00 0.00 C ATOM 0 H ILE A 24 -5.557 1.006 10.763 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.680 1.877 8.085 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.139 1.950 10.689 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.155 4.523 10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.551 4.167 9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.482 3.251 9.345 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.724 1.608 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.491 2.998 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.234 4.954 11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.746 3.267 11.150 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.329 3.629 12.163 1.00 0.00 H new ATOM 392 N TYR A 25 -3.614 -0.346 7.673 1.00 0.00 N ATOM 393 CA TYR A 25 -3.146 -1.682 7.355 1.00 0.00 C ATOM 394 C TYR A 25 -1.713 -1.636 6.877 1.00 0.00 C ATOM 395 O TYR A 25 -1.193 -0.576 6.536 1.00 0.00 O ATOM 396 CB TYR A 25 -3.930 -2.284 6.204 1.00 0.00 C ATOM 397 CG TYR A 25 -5.430 -2.288 6.296 1.00 0.00 C ATOM 398 CD1 TYR A 25 -6.110 -3.187 7.106 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.169 -1.423 5.510 1.00 0.00 C ATOM 400 CE1 TYR A 25 -7.492 -3.207 7.127 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.533 -1.452 5.518 1.00 0.00 C ATOM 402 CZ TYR A 25 -8.191 -2.334 6.318 1.00 0.00 C ATOM 403 OH TYR A 25 -9.565 -2.358 6.295 1.00 0.00 O ATOM 0 H TYR A 25 -3.719 0.260 6.859 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.262 -2.271 8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.653 -1.749 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.601 -3.316 6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.555 -3.876 7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.657 -0.712 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.019 -3.898 7.769 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.091 -0.774 4.889 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.894 -1.677 5.672 1.00 0.00 H new ATOM 413 N GLU A 26 -1.099 -2.781 6.844 1.00 0.00 N ATOM 414 CA GLU A 26 0.219 -2.959 6.281 1.00 0.00 C ATOM 415 C GLU A 26 0.046 -3.802 5.017 1.00 0.00 C ATOM 416 O GLU A 26 -0.592 -4.865 5.062 1.00 0.00 O ATOM 417 CB GLU A 26 1.105 -3.653 7.312 1.00 0.00 C ATOM 418 CG GLU A 26 1.213 -2.833 8.580 1.00 0.00 C ATOM 419 CD GLU A 26 1.959 -3.503 9.694 1.00 0.00 C ATOM 420 OE1 GLU A 26 1.379 -4.362 10.363 1.00 0.00 O ATOM 421 OE2 GLU A 26 3.113 -3.127 9.956 1.00 0.00 O ATOM 0 H GLU A 26 -1.504 -3.641 7.214 1.00 0.00 H new ATOM 0 HA GLU A 26 0.696 -2.013 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.695 -4.636 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.099 -3.813 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.706 -1.889 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.209 -2.591 8.927 1.00 0.00 H new ATOM 428 N ALA A 27 0.555 -3.334 3.904 1.00 0.00 N ATOM 429 CA ALA A 27 0.308 -3.986 2.628 1.00 0.00 C ATOM 430 C ALA A 27 1.515 -3.893 1.719 1.00 0.00 C ATOM 431 O ALA A 27 2.537 -3.402 2.103 1.00 0.00 O ATOM 432 CB ALA A 27 -0.907 -3.354 1.952 1.00 0.00 C ATOM 0 H ALA A 27 1.144 -2.503 3.849 1.00 0.00 H new ATOM 0 HA ALA A 27 0.112 -5.041 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.088 -3.846 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.781 -3.471 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.720 -2.293 1.785 1.00 0.00 H new ATOM 438 N SER A 28 1.393 -4.415 0.544 1.00 0.00 N ATOM 439 CA SER A 28 2.411 -4.347 -0.464 1.00 0.00 C ATOM 440 C SER A 28 1.806 -3.710 -1.704 1.00 0.00 C ATOM 441 O SER A 28 0.600 -3.737 -1.868 1.00 0.00 O ATOM 442 CB SER A 28 2.887 -5.760 -0.781 1.00 0.00 C ATOM 443 OG SER A 28 3.254 -6.434 0.418 1.00 0.00 O ATOM 0 H SER A 28 0.558 -4.918 0.244 1.00 0.00 H new ATOM 0 HA SER A 28 3.260 -3.755 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.097 -6.312 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.738 -5.721 -1.461 1.00 0.00 H new ATOM 0 HG SER A 28 3.557 -7.341 0.204 1.00 0.00 H new ATOM 449 N ILE A 29 2.604 -3.111 -2.537 1.00 0.00 N ATOM 450 CA ILE A 29 2.082 -2.531 -3.758 1.00 0.00 C ATOM 451 C ILE A 29 1.944 -3.615 -4.826 1.00 0.00 C ATOM 452 O ILE A 29 2.899 -4.351 -5.109 1.00 0.00 O ATOM 453 CB ILE A 29 2.949 -1.350 -4.265 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.063 -0.266 -3.174 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.381 -0.756 -5.558 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.723 0.290 -2.700 1.00 0.00 C ATOM 0 H ILE A 29 3.610 -3.007 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 29 1.097 -2.118 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 29 3.945 -1.733 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.594 -0.683 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.669 0.555 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.012 0.070 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.356 -1.524 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.370 -0.391 -5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.893 1.046 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.197 0.739 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.120 -0.518 -2.285 1.00 0.00 H new ATOM 468 N LYS A 30 0.755 -3.720 -5.372 1.00 0.00 N ATOM 469 CA LYS A 30 0.408 -4.735 -6.345 1.00 0.00 C ATOM 470 C LYS A 30 0.408 -4.154 -7.770 1.00 0.00 C ATOM 471 O LYS A 30 0.937 -4.766 -8.699 1.00 0.00 O ATOM 472 CB LYS A 30 -0.976 -5.307 -5.977 1.00 0.00 C ATOM 473 CG LYS A 30 -1.540 -6.363 -6.905 1.00 0.00 C ATOM 474 CD LYS A 30 -0.682 -7.607 -6.952 1.00 0.00 C ATOM 475 CE LYS A 30 -1.349 -8.678 -7.783 1.00 0.00 C ATOM 476 NZ LYS A 30 -2.578 -9.194 -7.143 1.00 0.00 N ATOM 0 H LYS A 30 -0.016 -3.090 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 30 1.150 -5.533 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.914 -5.731 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.685 -4.481 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.545 -6.630 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.631 -5.949 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.294 -7.367 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.511 -7.977 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.595 -8.274 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.651 -9.500 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.937 -10.005 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.363 -9.495 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.299 -8.445 -7.122 1.00 0.00 H new ATOM 490 N SER A 31 -0.208 -2.995 -7.948 1.00 0.00 N ATOM 491 CA SER A 31 -0.267 -2.310 -9.250 1.00 0.00 C ATOM 492 C SER A 31 -0.586 -0.831 -9.011 1.00 0.00 C ATOM 493 O SER A 31 -0.858 -0.439 -7.868 1.00 0.00 O ATOM 494 CB SER A 31 -1.358 -2.940 -10.157 1.00 0.00 C ATOM 495 OG SER A 31 -1.139 -4.340 -10.367 1.00 0.00 O ATOM 0 H SER A 31 -0.685 -2.494 -7.198 1.00 0.00 H new ATOM 0 HA SER A 31 0.694 -2.414 -9.753 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.338 -2.790 -9.703 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.371 -2.427 -11.119 1.00 0.00 H new ATOM 0 HG SER A 31 -0.217 -4.567 -10.126 1.00 0.00 H new ATOM 501 N THR A 32 -0.509 -0.006 -10.035 1.00 0.00 N ATOM 502 CA THR A 32 -0.887 1.397 -9.924 1.00 0.00 C ATOM 503 C THR A 32 -1.373 1.875 -11.282 1.00 0.00 C ATOM 504 O THR A 32 -0.868 1.425 -12.316 1.00 0.00 O ATOM 505 CB THR A 32 0.306 2.276 -9.521 1.00 0.00 C ATOM 506 OG1 THR A 32 1.087 1.610 -8.531 1.00 0.00 O ATOM 507 CG2 THR A 32 -0.191 3.551 -8.909 1.00 0.00 C ATOM 0 H THR A 32 -0.186 -0.281 -10.963 1.00 0.00 H new ATOM 0 HA THR A 32 -1.660 1.479 -9.160 1.00 0.00 H new ATOM 0 HB THR A 32 0.901 2.476 -10.412 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.961 2.050 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.658 4.173 -8.624 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.806 4.086 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.786 3.322 -8.025 1.00 0.00 H new ATOM 515 N GLU A 33 -2.330 2.750 -11.280 1.00 0.00 N ATOM 516 CA GLU A 33 -2.855 3.315 -12.488 1.00 0.00 C ATOM 517 C GLU A 33 -3.439 4.659 -12.217 1.00 0.00 C ATOM 518 O GLU A 33 -3.652 5.016 -11.082 1.00 0.00 O ATOM 519 CB GLU A 33 -3.879 2.415 -13.122 1.00 0.00 C ATOM 520 CG GLU A 33 -5.140 2.157 -12.316 1.00 0.00 C ATOM 521 CD GLU A 33 -6.119 1.272 -13.061 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.831 0.081 -13.258 1.00 0.00 O ATOM 523 OE2 GLU A 33 -7.208 1.754 -13.461 1.00 0.00 O ATOM 0 H GLU A 33 -2.775 3.097 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.030 3.421 -13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.168 2.847 -14.080 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.407 1.456 -13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.875 1.687 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.619 3.107 -12.078 1.00 0.00 H new ATOM 530 N ILE A 34 -3.676 5.401 -13.241 1.00 0.00 N ATOM 531 CA ILE A 34 -4.211 6.722 -13.095 1.00 0.00 C ATOM 532 C ILE A 34 -5.615 6.709 -13.636 1.00 0.00 C ATOM 533 O ILE A 34 -5.843 6.277 -14.768 1.00 0.00 O ATOM 534 CB ILE A 34 -3.367 7.819 -13.846 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.926 7.968 -13.292 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.066 9.176 -13.797 1.00 0.00 C ATOM 537 CD1 ILE A 34 -1.024 6.761 -13.464 1.00 0.00 C ATOM 0 H ILE A 34 -3.507 5.116 -14.206 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.184 6.986 -12.038 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.290 7.476 -14.878 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.456 8.822 -13.780 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.988 8.203 -12.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.462 9.916 -14.323 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.043 9.099 -14.274 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.193 9.483 -12.759 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.043 6.977 -13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.460 5.905 -12.950 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.920 6.533 -14.525 1.00 0.00 H new ATOM 549 N ASP A 35 -6.543 7.143 -12.853 1.00 0.00 N ATOM 550 CA ASP A 35 -7.912 7.159 -13.284 1.00 0.00 C ATOM 551 C ASP A 35 -8.449 8.545 -13.083 1.00 0.00 C ATOM 552 O ASP A 35 -8.729 8.954 -11.949 1.00 0.00 O ATOM 553 CB ASP A 35 -8.746 6.152 -12.477 1.00 0.00 C ATOM 554 CG ASP A 35 -10.092 5.823 -13.105 1.00 0.00 C ATOM 555 OD1 ASP A 35 -11.019 6.688 -13.131 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.274 4.656 -13.535 1.00 0.00 O ATOM 0 H ASP A 35 -6.385 7.493 -11.908 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.970 6.877 -14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.175 5.231 -12.363 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.911 6.551 -11.476 1.00 0.00 H new ATOM 561 N ASP A 36 -8.553 9.273 -14.176 1.00 0.00 N ATOM 562 CA ASP A 36 -9.080 10.639 -14.203 1.00 0.00 C ATOM 563 C ASP A 36 -8.294 11.567 -13.263 1.00 0.00 C ATOM 564 O ASP A 36 -8.769 11.936 -12.179 1.00 0.00 O ATOM 565 CB ASP A 36 -10.583 10.685 -13.889 1.00 0.00 C ATOM 566 CG ASP A 36 -11.257 12.000 -14.234 1.00 0.00 C ATOM 567 OD1 ASP A 36 -10.848 13.067 -13.732 1.00 0.00 O ATOM 568 OD2 ASP A 36 -12.217 11.969 -15.036 1.00 0.00 O ATOM 0 H ASP A 36 -8.270 8.932 -15.095 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.949 11.004 -15.222 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.080 9.882 -14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.726 10.485 -12.827 1.00 0.00 H new ATOM 573 N GLY A 37 -7.040 11.774 -13.593 1.00 0.00 N ATOM 574 CA GLY A 37 -6.214 12.737 -12.881 1.00 0.00 C ATOM 575 C GLY A 37 -5.556 12.218 -11.610 1.00 0.00 C ATOM 576 O GLY A 37 -4.490 12.706 -11.230 1.00 0.00 O ATOM 0 H GLY A 37 -6.563 11.289 -14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.434 13.090 -13.556 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.829 13.600 -12.625 1.00 0.00 H new ATOM 580 N GLU A 38 -6.144 11.233 -10.974 1.00 0.00 N ATOM 581 CA GLU A 38 -5.609 10.724 -9.725 1.00 0.00 C ATOM 582 C GLU A 38 -5.004 9.364 -9.920 1.00 0.00 C ATOM 583 O GLU A 38 -5.490 8.558 -10.723 1.00 0.00 O ATOM 584 CB GLU A 38 -6.682 10.702 -8.617 1.00 0.00 C ATOM 585 CG GLU A 38 -7.933 9.906 -8.959 1.00 0.00 C ATOM 586 CD GLU A 38 -8.949 9.878 -7.838 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.593 10.907 -7.578 1.00 0.00 O ATOM 588 OE2 GLU A 38 -9.175 8.810 -7.237 1.00 0.00 O ATOM 0 H GLU A 38 -6.992 10.766 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.821 11.403 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.241 10.287 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.971 11.728 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.395 10.333 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.648 8.884 -9.208 1.00 0.00 H new ATOM 595 N VAL A 39 -3.946 9.113 -9.210 1.00 0.00 N ATOM 596 CA VAL A 39 -3.267 7.871 -9.317 1.00 0.00 C ATOM 597 C VAL A 39 -3.685 6.947 -8.183 1.00 0.00 C ATOM 598 O VAL A 39 -3.588 7.278 -6.986 1.00 0.00 O ATOM 599 CB VAL A 39 -1.720 8.044 -9.440 1.00 0.00 C ATOM 600 CG1 VAL A 39 -1.138 8.770 -8.248 1.00 0.00 C ATOM 601 CG2 VAL A 39 -1.029 6.704 -9.692 1.00 0.00 C ATOM 0 H VAL A 39 -3.535 9.766 -8.543 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.566 7.395 -10.251 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.529 8.673 -10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.060 8.869 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.587 9.760 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.347 8.204 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.047 6.859 -9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.237 6.026 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.404 6.270 -10.619 1.00 0.00 H new ATOM 611 N LEU A 40 -4.202 5.829 -8.580 1.00 0.00 N ATOM 612 CA LEU A 40 -4.726 4.848 -7.708 1.00 0.00 C ATOM 613 C LEU A 40 -3.819 3.663 -7.681 1.00 0.00 C ATOM 614 O LEU A 40 -3.311 3.211 -8.708 1.00 0.00 O ATOM 615 CB LEU A 40 -6.110 4.420 -8.167 1.00 0.00 C ATOM 616 CG LEU A 40 -7.149 5.528 -8.266 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.474 4.965 -8.740 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.301 6.230 -6.923 1.00 0.00 C ATOM 0 H LEU A 40 -4.270 5.571 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.801 5.272 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.017 3.947 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.481 3.660 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.813 6.264 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.208 5.768 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.345 4.509 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.823 4.212 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.047 7.020 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.620 5.509 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.345 6.664 -6.629 1.00 0.00 H new ATOM 630 N TYR A 41 -3.636 3.178 -6.535 1.00 0.00 N ATOM 631 CA TYR A 41 -2.797 2.080 -6.259 1.00 0.00 C ATOM 632 C TYR A 41 -3.617 0.894 -5.916 1.00 0.00 C ATOM 633 O TYR A 41 -4.674 1.007 -5.297 1.00 0.00 O ATOM 634 CB TYR A 41 -1.871 2.388 -5.078 1.00 0.00 C ATOM 635 CG TYR A 41 -0.738 3.320 -5.386 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.938 4.680 -5.587 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.549 2.832 -5.462 1.00 0.00 C ATOM 638 CE1 TYR A 41 0.126 5.517 -5.861 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.606 3.656 -5.735 1.00 0.00 C ATOM 640 CZ TYR A 41 1.397 4.993 -5.932 1.00 0.00 C ATOM 641 OH TYR A 41 2.468 5.813 -6.204 1.00 0.00 O ATOM 0 H TYR A 41 -4.092 3.552 -5.703 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.197 1.882 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.466 2.818 -4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.459 1.450 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.937 5.087 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.726 1.779 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.038 6.573 -6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.605 3.251 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 41 3.292 5.282 -6.217 1.00 0.00 H new ATOM 651 N LEU A 42 -3.133 -0.216 -6.313 1.00 0.00 N ATOM 652 CA LEU A 42 -3.700 -1.461 -5.983 1.00 0.00 C ATOM 653 C LEU A 42 -2.730 -2.053 -5.005 1.00 0.00 C ATOM 654 O LEU A 42 -1.548 -2.238 -5.336 1.00 0.00 O ATOM 655 CB LEU A 42 -3.813 -2.335 -7.242 1.00 0.00 C ATOM 656 CG LEU A 42 -4.488 -3.700 -7.078 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.918 -3.534 -6.617 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.439 -4.485 -8.383 1.00 0.00 C ATOM 0 H LEU A 42 -2.301 -0.286 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.705 -1.380 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.363 -1.773 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.809 -2.498 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.942 -4.260 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.381 -4.515 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.933 -3.015 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.472 -2.952 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.924 -5.451 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.958 -3.927 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.401 -4.639 -8.676 1.00 0.00 H new ATOM 670 N VAL A 43 -3.173 -2.283 -3.816 1.00 0.00 N ATOM 671 CA VAL A 43 -2.316 -2.750 -2.776 1.00 0.00 C ATOM 672 C VAL A 43 -2.782 -4.114 -2.311 1.00 0.00 C ATOM 673 O VAL A 43 -3.981 -4.418 -2.300 1.00 0.00 O ATOM 674 CB VAL A 43 -2.234 -1.737 -1.573 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.829 -0.353 -2.062 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.537 -1.671 -0.778 1.00 0.00 C ATOM 0 H VAL A 43 -4.145 -2.152 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.307 -2.833 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.466 -2.108 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.778 0.332 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.852 -0.408 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.566 0.010 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.428 -0.959 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.347 -1.351 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.766 -2.657 -0.373 1.00 0.00 H new ATOM 686 N HIS A 44 -1.840 -4.911 -1.946 1.00 0.00 N ATOM 687 CA HIS A 44 -2.049 -6.273 -1.582 1.00 0.00 C ATOM 688 C HIS A 44 -1.645 -6.482 -0.151 1.00 0.00 C ATOM 689 O HIS A 44 -0.492 -6.304 0.196 1.00 0.00 O ATOM 690 CB HIS A 44 -1.191 -7.178 -2.501 1.00 0.00 C ATOM 691 CG HIS A 44 -1.218 -8.634 -2.143 1.00 0.00 C ATOM 692 ND1 HIS A 44 -2.259 -9.444 -2.450 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.324 -9.403 -1.478 1.00 0.00 C ATOM 694 CE1 HIS A 44 -2.027 -10.655 -1.991 1.00 0.00 C ATOM 695 NE2 HIS A 44 -0.852 -10.660 -1.397 1.00 0.00 N ATOM 0 H HIS A 44 -0.863 -4.623 -1.890 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.103 -6.526 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.537 -7.063 -3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.159 -6.829 -2.472 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.095 -9.159 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.629 -9.082 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.689 -11.503 -2.086 1.00 0.00 H new ATOM 704 N TYR A 45 -2.584 -6.836 0.670 1.00 0.00 N ATOM 705 CA TYR A 45 -2.294 -7.162 2.044 1.00 0.00 C ATOM 706 C TYR A 45 -1.550 -8.476 2.029 1.00 0.00 C ATOM 707 O TYR A 45 -1.994 -9.419 1.377 1.00 0.00 O ATOM 708 CB TYR A 45 -3.589 -7.268 2.849 1.00 0.00 C ATOM 709 CG TYR A 45 -4.448 -6.034 2.730 1.00 0.00 C ATOM 710 CD1 TYR A 45 -4.035 -4.829 3.266 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.659 -6.066 2.051 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.802 -3.694 3.139 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.431 -4.931 1.921 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.997 -3.750 2.469 1.00 0.00 C ATOM 715 OH TYR A 45 -6.757 -2.617 2.342 1.00 0.00 O ATOM 0 H TYR A 45 -3.569 -6.909 0.416 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.691 -6.388 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.155 -8.135 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.347 -7.438 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.094 -4.777 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.001 -6.994 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.464 -2.761 3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.371 -4.971 1.391 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.830 -2.173 3.212 1.00 0.00 H new ATOM 725 N TYR A 46 -0.424 -8.538 2.708 1.00 0.00 N ATOM 726 CA TYR A 46 0.433 -9.713 2.615 1.00 0.00 C ATOM 727 C TYR A 46 -0.111 -10.921 3.365 1.00 0.00 C ATOM 728 O TYR A 46 0.435 -12.016 3.265 1.00 0.00 O ATOM 729 CB TYR A 46 1.918 -9.410 2.943 1.00 0.00 C ATOM 730 CG TYR A 46 2.211 -8.814 4.311 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.454 -9.629 5.409 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.280 -7.435 4.493 1.00 0.00 C ATOM 733 CE1 TYR A 46 2.750 -9.094 6.646 1.00 0.00 C ATOM 734 CE2 TYR A 46 2.584 -6.893 5.728 1.00 0.00 C ATOM 735 CZ TYR A 46 2.816 -7.727 6.801 1.00 0.00 C ATOM 736 OH TYR A 46 3.123 -7.193 8.038 1.00 0.00 O ATOM 0 H TYR A 46 -0.079 -7.802 3.324 1.00 0.00 H new ATOM 0 HA TYR A 46 0.416 -9.998 1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.483 -10.338 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.300 -8.726 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.410 -10.702 5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.093 -6.779 3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.929 -9.745 7.489 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.639 -5.822 5.852 1.00 0.00 H new ATOM 0 HH TYR A 46 3.131 -6.215 7.979 1.00 0.00 H new ATOM 746 N GLY A 47 -1.176 -10.717 4.109 1.00 0.00 N ATOM 747 CA GLY A 47 -1.855 -11.814 4.744 1.00 0.00 C ATOM 748 C GLY A 47 -2.525 -12.689 3.704 1.00 0.00 C ATOM 749 O GLY A 47 -2.133 -13.850 3.516 1.00 0.00 O ATOM 0 H GLY A 47 -1.587 -9.800 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.145 -12.404 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.599 -11.434 5.444 1.00 0.00 H new ATOM 753 N TRP A 48 -3.497 -12.120 2.999 1.00 0.00 N ATOM 754 CA TRP A 48 -4.194 -12.810 1.936 1.00 0.00 C ATOM 755 C TRP A 48 -5.052 -11.798 1.167 1.00 0.00 C ATOM 756 O TRP A 48 -5.346 -10.705 1.682 1.00 0.00 O ATOM 757 CB TRP A 48 -5.074 -13.949 2.501 1.00 0.00 C ATOM 758 CG TRP A 48 -5.473 -14.965 1.469 1.00 0.00 C ATOM 759 CD1 TRP A 48 -6.676 -15.078 0.830 1.00 0.00 C ATOM 760 CD2 TRP A 48 -4.641 -16.006 0.946 1.00 0.00 C ATOM 761 NE1 TRP A 48 -6.638 -16.130 -0.052 1.00 0.00 N ATOM 762 CE2 TRP A 48 -5.399 -16.714 0.000 1.00 0.00 C ATOM 763 CE3 TRP A 48 -3.322 -16.405 1.188 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -4.889 -17.802 -0.701 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.815 -17.483 0.492 1.00 0.00 C ATOM 766 CH2 TRP A 48 -3.596 -18.169 -0.443 1.00 0.00 C ATOM 0 H TRP A 48 -3.819 -11.165 3.154 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.466 -13.261 1.262 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.534 -14.451 3.304 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.973 -13.518 2.942 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.529 -14.436 0.994 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.408 -16.429 -0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.712 -15.879 1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.490 -18.337 -1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.799 -17.802 0.672 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.169 -19.007 -0.974 1.00 0.00 H new ATOM 777 N ASN A 49 -5.421 -12.159 -0.051 1.00 0.00 N ATOM 778 CA ASN A 49 -6.255 -11.338 -0.932 1.00 0.00 C ATOM 779 C ASN A 49 -7.642 -11.161 -0.319 1.00 0.00 C ATOM 780 O ASN A 49 -8.291 -12.144 0.033 1.00 0.00 O ATOM 781 CB ASN A 49 -6.387 -12.028 -2.306 1.00 0.00 C ATOM 782 CG ASN A 49 -5.054 -12.206 -3.020 1.00 0.00 C ATOM 783 OD1 ASN A 49 -4.358 -13.203 -2.815 1.00 0.00 O ATOM 784 ND2 ASN A 49 -4.690 -11.265 -3.854 1.00 0.00 N ATOM 0 H ASN A 49 -5.147 -13.048 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.789 -10.360 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.853 -13.004 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.054 -11.441 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.807 -11.344 -4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.290 -10.453 -4.000 1.00 0.00 H new ATOM 791 N VAL A 50 -8.081 -9.919 -0.164 1.00 0.00 N ATOM 792 CA VAL A 50 -9.386 -9.648 0.440 1.00 0.00 C ATOM 793 C VAL A 50 -10.555 -9.845 -0.554 1.00 0.00 C ATOM 794 O VAL A 50 -11.370 -10.749 -0.374 1.00 0.00 O ATOM 795 CB VAL A 50 -9.442 -8.270 1.183 1.00 0.00 C ATOM 796 CG1 VAL A 50 -8.577 -8.325 2.431 1.00 0.00 C ATOM 797 CG2 VAL A 50 -8.965 -7.121 0.299 1.00 0.00 C ATOM 0 H VAL A 50 -7.561 -9.088 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.520 -10.404 1.214 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.483 -8.085 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.618 -7.365 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.945 -9.108 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.546 -8.542 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.021 -6.186 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.934 -7.300 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.599 -7.055 -0.586 1.00 0.00 H new ATOM 807 N ARG A 51 -10.628 -9.019 -1.584 1.00 0.00 N ATOM 808 CA ARG A 51 -11.592 -9.206 -2.671 1.00 0.00 C ATOM 809 C ARG A 51 -10.787 -9.694 -3.837 1.00 0.00 C ATOM 810 O ARG A 51 -11.027 -10.750 -4.398 1.00 0.00 O ATOM 811 CB ARG A 51 -12.321 -7.889 -3.007 1.00 0.00 C ATOM 812 CG ARG A 51 -13.144 -7.311 -1.851 1.00 0.00 C ATOM 813 CD ARG A 51 -14.335 -8.195 -1.485 1.00 0.00 C ATOM 814 NE ARG A 51 -15.331 -8.249 -2.568 1.00 0.00 N ATOM 815 CZ ARG A 51 -16.429 -9.019 -2.586 1.00 0.00 C ATOM 816 NH1 ARG A 51 -16.680 -9.854 -1.588 1.00 0.00 N ATOM 817 NH2 ARG A 51 -17.268 -8.943 -3.612 1.00 0.00 N ATOM 0 H ARG A 51 -10.027 -8.202 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.373 -9.915 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.584 -7.149 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.981 -8.059 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.503 -7.189 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.502 -6.318 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.985 -9.203 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.805 -7.814 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.172 -7.647 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.036 -9.914 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.517 -10.436 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.076 -8.301 -4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.105 -9.526 -3.631 1.00 0.00 H new ATOM 831 N TYR A 52 -9.821 -8.904 -4.149 1.00 0.00 N ATOM 832 CA TYR A 52 -8.737 -9.239 -5.026 1.00 0.00 C ATOM 833 C TYR A 52 -7.547 -8.660 -4.345 1.00 0.00 C ATOM 834 O TYR A 52 -6.677 -9.354 -3.869 1.00 0.00 O ATOM 835 CB TYR A 52 -8.871 -8.610 -6.433 1.00 0.00 C ATOM 836 CG TYR A 52 -9.965 -9.171 -7.308 1.00 0.00 C ATOM 837 CD1 TYR A 52 -9.923 -10.486 -7.743 1.00 0.00 C ATOM 838 CD2 TYR A 52 -11.016 -8.377 -7.732 1.00 0.00 C ATOM 839 CE1 TYR A 52 -10.898 -10.995 -8.571 1.00 0.00 C ATOM 840 CE2 TYR A 52 -11.998 -8.881 -8.557 1.00 0.00 C ATOM 841 CZ TYR A 52 -11.935 -10.193 -8.973 1.00 0.00 C ATOM 842 OH TYR A 52 -12.905 -10.697 -9.815 1.00 0.00 O ATOM 0 H TYR A 52 -9.755 -7.954 -3.784 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.692 -10.315 -5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -9.040 -7.540 -6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.921 -8.728 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.110 -11.123 -7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.067 -7.347 -7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.846 -12.022 -8.902 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.814 -8.250 -8.876 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.569 -10.001 -10.003 1.00 0.00 H new ATOM 852 N ASP A 53 -7.639 -7.371 -4.182 1.00 0.00 N ATOM 853 CA ASP A 53 -6.661 -6.499 -3.555 1.00 0.00 C ATOM 854 C ASP A 53 -7.434 -5.222 -3.311 1.00 0.00 C ATOM 855 O ASP A 53 -8.652 -5.221 -3.574 1.00 0.00 O ATOM 856 CB ASP A 53 -5.419 -6.220 -4.456 1.00 0.00 C ATOM 857 CG ASP A 53 -4.555 -7.433 -4.766 1.00 0.00 C ATOM 858 OD1 ASP A 53 -3.958 -8.018 -3.836 1.00 0.00 O ATOM 859 OD2 ASP A 53 -4.478 -7.835 -5.953 1.00 0.00 O ATOM 0 H ASP A 53 -8.457 -6.855 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.248 -6.949 -2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.762 -5.789 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.799 -5.468 -3.969 1.00 0.00 H new ATOM 864 N GLU A 54 -6.821 -4.165 -2.846 1.00 0.00 N ATOM 865 CA GLU A 54 -7.590 -2.962 -2.541 1.00 0.00 C ATOM 866 C GLU A 54 -7.012 -1.732 -3.240 1.00 0.00 C ATOM 867 O GLU A 54 -5.831 -1.680 -3.550 1.00 0.00 O ATOM 868 CB GLU A 54 -7.708 -2.779 -1.013 1.00 0.00 C ATOM 869 CG GLU A 54 -8.639 -1.660 -0.571 1.00 0.00 C ATOM 870 CD GLU A 54 -9.999 -1.784 -1.205 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.823 -2.578 -0.738 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.260 -1.094 -2.199 1.00 0.00 O ATOM 0 H GLU A 54 -5.818 -4.100 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.599 -3.083 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.056 -3.715 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.715 -2.587 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.740 -1.678 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.201 -0.697 -0.834 1.00 0.00 H new ATOM 879 N TRP A 55 -7.871 -0.765 -3.475 1.00 0.00 N ATOM 880 CA TRP A 55 -7.557 0.433 -4.206 1.00 0.00 C ATOM 881 C TRP A 55 -7.517 1.648 -3.306 1.00 0.00 C ATOM 882 O TRP A 55 -8.533 2.019 -2.683 1.00 0.00 O ATOM 883 CB TRP A 55 -8.596 0.655 -5.287 1.00 0.00 C ATOM 884 CG TRP A 55 -8.558 -0.367 -6.363 1.00 0.00 C ATOM 885 CD1 TRP A 55 -9.175 -1.584 -6.380 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.837 -0.259 -7.578 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.905 -2.222 -7.566 1.00 0.00 N ATOM 888 CE2 TRP A 55 -8.075 -1.427 -8.317 1.00 0.00 C ATOM 889 CE3 TRP A 55 -7.019 0.727 -8.114 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -7.517 -1.634 -9.570 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -6.464 0.523 -9.343 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.713 -0.646 -10.065 1.00 0.00 C ATOM 0 H TRP A 55 -8.837 -0.796 -3.150 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.568 0.301 -4.646 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.587 0.656 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.446 1.641 -5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.783 -1.985 -5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.262 -3.136 -7.843 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.826 1.638 -7.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.710 -2.537 -10.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.820 1.280 -9.766 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.260 -0.772 -11.037 1.00 0.00 H new ATOM 903 N VAL A 56 -6.372 2.269 -3.247 1.00 0.00 N ATOM 904 CA VAL A 56 -6.165 3.468 -2.464 1.00 0.00 C ATOM 905 C VAL A 56 -5.401 4.495 -3.294 1.00 0.00 C ATOM 906 O VAL A 56 -4.730 4.140 -4.246 1.00 0.00 O ATOM 907 CB VAL A 56 -5.414 3.183 -1.128 1.00 0.00 C ATOM 908 CG1 VAL A 56 -6.274 2.351 -0.189 1.00 0.00 C ATOM 909 CG2 VAL A 56 -4.097 2.471 -1.391 1.00 0.00 C ATOM 0 H VAL A 56 -5.540 1.956 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.145 3.863 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.206 4.142 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.728 2.165 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.195 2.890 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.517 1.400 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.590 2.282 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.290 1.524 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.465 3.096 -2.023 1.00 0.00 H new ATOM 919 N LYS A 57 -5.519 5.743 -2.946 1.00 0.00 N ATOM 920 CA LYS A 57 -4.892 6.818 -3.691 1.00 0.00 C ATOM 921 C LYS A 57 -3.487 7.093 -3.109 1.00 0.00 C ATOM 922 O LYS A 57 -3.185 6.648 -2.008 1.00 0.00 O ATOM 923 CB LYS A 57 -5.846 8.031 -3.647 1.00 0.00 C ATOM 924 CG LYS A 57 -5.461 9.262 -4.451 1.00 0.00 C ATOM 925 CD LYS A 57 -6.693 10.165 -4.596 1.00 0.00 C ATOM 926 CE LYS A 57 -6.374 11.542 -5.143 1.00 0.00 C ATOM 927 NZ LYS A 57 -5.771 12.409 -4.123 1.00 0.00 N ATOM 0 H LYS A 57 -6.053 6.055 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.731 6.564 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.826 7.699 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.958 8.332 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.655 9.801 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.090 8.970 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.414 9.680 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.172 10.272 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.693 11.448 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.287 12.004 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.475 13.305 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.468 12.602 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.943 11.935 -3.710 1.00 0.00 H new ATOM 941 N ALA A 58 -2.650 7.824 -3.838 1.00 0.00 N ATOM 942 CA ALA A 58 -1.223 8.048 -3.474 1.00 0.00 C ATOM 943 C ALA A 58 -1.033 8.707 -2.109 1.00 0.00 C ATOM 944 O ALA A 58 -0.028 8.493 -1.426 1.00 0.00 O ATOM 945 CB ALA A 58 -0.541 8.885 -4.537 1.00 0.00 C ATOM 0 H ALA A 58 -2.927 8.287 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.768 7.059 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.502 9.043 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.589 8.367 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.045 9.848 -4.620 1.00 0.00 H new ATOM 951 N ASP A 59 -1.987 9.492 -1.718 1.00 0.00 N ATOM 952 CA ASP A 59 -1.944 10.209 -0.436 1.00 0.00 C ATOM 953 C ASP A 59 -2.459 9.359 0.708 1.00 0.00 C ATOM 954 O ASP A 59 -2.447 9.775 1.871 1.00 0.00 O ATOM 955 CB ASP A 59 -2.710 11.538 -0.517 1.00 0.00 C ATOM 956 CG ASP A 59 -4.119 11.384 -1.042 1.00 0.00 C ATOM 957 OD1 ASP A 59 -4.277 11.316 -2.277 1.00 0.00 O ATOM 958 OD2 ASP A 59 -5.078 11.343 -0.248 1.00 0.00 O ATOM 0 H ASP A 59 -2.830 9.669 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.897 10.431 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.746 11.990 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.163 12.226 -1.161 1.00 0.00 H new ATOM 963 N ARG A 60 -2.885 8.169 0.394 1.00 0.00 N ATOM 964 CA ARG A 60 -3.476 7.274 1.369 1.00 0.00 C ATOM 965 C ARG A 60 -2.431 6.231 1.806 1.00 0.00 C ATOM 966 O ARG A 60 -2.716 5.324 2.602 1.00 0.00 O ATOM 967 CB ARG A 60 -4.655 6.583 0.691 1.00 0.00 C ATOM 968 CG ARG A 60 -5.776 6.160 1.592 1.00 0.00 C ATOM 969 CD ARG A 60 -6.476 7.372 2.179 1.00 0.00 C ATOM 970 NE ARG A 60 -7.661 7.006 2.943 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.884 7.534 2.749 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.097 8.416 1.762 1.00 0.00 N ATOM 973 NH2 ARG A 60 -9.888 7.172 3.538 1.00 0.00 N ATOM 0 H ARG A 60 -2.835 7.783 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.809 7.818 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.058 7.255 -0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.283 5.702 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.491 5.556 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.388 5.533 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.783 7.913 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.760 8.051 1.375 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.557 6.302 3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.329 8.692 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.027 8.811 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.731 6.497 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.817 7.569 3.396 1.00 0.00 H new ATOM 987 N ILE A 61 -1.226 6.405 1.309 1.00 0.00 N ATOM 988 CA ILE A 61 -0.137 5.469 1.529 1.00 0.00 C ATOM 989 C ILE A 61 0.884 6.101 2.479 1.00 0.00 C ATOM 990 O ILE A 61 1.078 7.319 2.458 1.00 0.00 O ATOM 991 CB ILE A 61 0.682 5.231 0.220 1.00 0.00 C ATOM 992 CG1 ILE A 61 -0.159 5.277 -1.063 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.432 3.910 0.304 1.00 0.00 C ATOM 994 CD1 ILE A 61 -1.017 4.107 -1.289 1.00 0.00 C ATOM 0 H ILE A 61 -0.969 7.207 0.734 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.586 4.549 1.904 1.00 0.00 H new ATOM 0 HB ILE A 61 1.384 6.062 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.786 6.168 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.512 5.386 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.999 3.755 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.115 3.933 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.720 3.095 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.570 4.235 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.400 3.211 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.719 4.005 -0.461 1.00 0.00 H new ATOM 1006 N ILE A 62 1.518 5.297 3.287 1.00 0.00 N ATOM 1007 CA ILE A 62 2.685 5.724 4.012 1.00 0.00 C ATOM 1008 C ILE A 62 3.847 5.003 3.369 1.00 0.00 C ATOM 1009 O ILE A 62 3.960 3.766 3.469 1.00 0.00 O ATOM 1010 CB ILE A 62 2.709 5.389 5.544 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.542 5.998 6.324 1.00 0.00 C ATOM 1012 CG2 ILE A 62 4.021 5.826 6.170 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.266 5.184 6.306 1.00 0.00 C ATOM 0 H ILE A 62 1.243 4.331 3.462 1.00 0.00 H new ATOM 0 HA ILE A 62 2.715 6.812 3.960 1.00 0.00 H new ATOM 0 HB ILE A 62 2.605 4.306 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.851 6.138 7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.330 6.987 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.016 5.584 7.233 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.847 5.307 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.144 6.902 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.501 5.697 6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.075 5.065 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.454 4.203 6.742 1.00 0.00 H new ATOM 1025 N TRP A 63 4.646 5.735 2.661 1.00 0.00 N ATOM 1026 CA TRP A 63 5.789 5.179 2.005 1.00 0.00 C ATOM 1027 C TRP A 63 6.953 5.041 2.979 1.00 0.00 C ATOM 1028 O TRP A 63 7.221 5.969 3.764 1.00 0.00 O ATOM 1029 CB TRP A 63 6.154 5.993 0.762 1.00 0.00 C ATOM 1030 CG TRP A 63 5.113 5.864 -0.308 1.00 0.00 C ATOM 1031 CD1 TRP A 63 4.008 6.647 -0.495 1.00 0.00 C ATOM 1032 CD2 TRP A 63 5.067 4.861 -1.322 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.284 6.184 -1.567 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.920 5.091 -2.091 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.893 3.784 -1.651 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.579 4.291 -3.166 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 5.552 2.988 -2.723 1.00 0.00 C ATOM 1038 CH2 TRP A 63 4.404 3.245 -3.467 1.00 0.00 C ATOM 0 H TRP A 63 4.525 6.738 2.520 1.00 0.00 H new ATOM 0 HA TRP A 63 5.543 4.175 1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.268 7.042 1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.117 5.657 0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.744 7.502 0.110 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.415 6.589 -1.915 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.783 3.579 -1.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.690 4.487 -3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 6.184 2.154 -2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.160 2.603 -4.301 1.00 0.00 H new ATOM 1049 N PRO A 64 7.614 3.853 2.977 1.00 0.00 N ATOM 1050 CA PRO A 64 8.716 3.522 3.889 1.00 0.00 C ATOM 1051 C PRO A 64 9.788 4.581 3.983 1.00 0.00 C ATOM 1052 O PRO A 64 10.458 4.928 2.997 1.00 0.00 O ATOM 1053 CB PRO A 64 9.281 2.220 3.337 1.00 0.00 C ATOM 1054 CG PRO A 64 8.131 1.585 2.648 1.00 0.00 C ATOM 1055 CD PRO A 64 7.310 2.712 2.087 1.00 0.00 C ATOM 0 HA PRO A 64 8.349 3.442 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.105 2.404 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.668 1.585 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.471 0.918 1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.544 0.983 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.582 2.928 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.247 2.473 2.093 1.00 0.00 H new ATOM 1063 N LEU A 65 9.946 5.055 5.185 1.00 0.00 N ATOM 1064 CA LEU A 65 10.861 6.088 5.530 1.00 0.00 C ATOM 1065 C LEU A 65 10.860 6.127 7.045 1.00 0.00 C ATOM 1066 O LEU A 65 10.244 7.008 7.665 1.00 0.00 O ATOM 1067 CB LEU A 65 10.367 7.416 4.941 1.00 0.00 C ATOM 1068 CG LEU A 65 11.376 8.550 4.746 1.00 0.00 C ATOM 1069 CD1 LEU A 65 10.710 9.646 3.982 1.00 0.00 C ATOM 1070 CD2 LEU A 65 11.896 9.092 6.066 1.00 0.00 C ATOM 0 H LEU A 65 9.412 4.711 5.984 1.00 0.00 H new ATOM 0 HA LEU A 65 11.865 5.917 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.918 7.202 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.571 7.788 5.585 1.00 0.00 H new ATOM 0 HG LEU A 65 12.234 8.156 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.414 10.465 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.382 9.268 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.847 10.007 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.609 9.894 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.063 9.479 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.390 8.293 6.618 1.00 0.00 H new ATOM 1082 N ASP A 66 11.418 5.073 7.621 1.00 0.00 N ATOM 1083 CA ASP A 66 11.482 4.870 9.076 1.00 0.00 C ATOM 1084 C ASP A 66 10.078 4.929 9.686 1.00 0.00 C ATOM 1085 O ASP A 66 9.816 5.537 10.731 1.00 0.00 O ATOM 1086 CB ASP A 66 12.460 5.851 9.736 1.00 0.00 C ATOM 1087 CG ASP A 66 12.588 5.678 11.249 1.00 0.00 C ATOM 1088 OD1 ASP A 66 12.839 4.543 11.741 1.00 0.00 O ATOM 1089 OD2 ASP A 66 12.460 6.688 11.978 1.00 0.00 O ATOM 0 H ASP A 66 11.849 4.317 7.089 1.00 0.00 H new ATOM 0 HA ASP A 66 11.876 3.873 9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.443 5.728 9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.136 6.870 9.523 1.00 0.00 H new ATOM 1094 N LYS A 67 9.166 4.311 9.004 1.00 0.00 N ATOM 1095 CA LYS A 67 7.833 4.228 9.468 1.00 0.00 C ATOM 1096 C LYS A 67 7.276 2.883 9.343 1.00 0.00 C ATOM 1097 O LYS A 67 6.930 2.440 8.253 1.00 0.00 O ATOM 1098 CB LYS A 67 6.848 5.189 8.820 1.00 0.00 C ATOM 1099 CG LYS A 67 6.982 6.623 9.219 1.00 0.00 C ATOM 1100 CD LYS A 67 5.620 7.292 9.113 1.00 0.00 C ATOM 1101 CE LYS A 67 5.662 8.813 9.089 1.00 0.00 C ATOM 1102 NZ LYS A 67 6.432 9.420 10.200 1.00 0.00 N ATOM 0 H LYS A 67 9.333 3.851 8.109 1.00 0.00 H new ATOM 0 HA LYS A 67 7.940 4.515 10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.960 5.120 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.837 4.858 9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.360 6.697 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.702 7.128 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.127 6.941 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.006 6.972 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.095 9.138 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.641 9.193 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.816 10.062 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.785 8.670 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.236 9.954 9.814 1.00 0.00 H new ATOM 1116 N GLY A 68 7.219 2.216 10.446 1.00 0.00 N ATOM 1117 CA GLY A 68 6.388 1.073 10.515 1.00 0.00 C ATOM 1118 C GLY A 68 4.998 1.592 10.751 1.00 0.00 C ATOM 1119 O GLY A 68 3.994 0.984 10.383 1.00 0.00 O ATOM 0 H GLY A 68 7.732 2.442 11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.439 0.496 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.700 0.410 11.322 1.00 0.00 H new ATOM 1123 N LEU A 69 5.007 2.769 11.367 1.00 0.00 N ATOM 1124 CA LEU A 69 3.958 3.636 11.654 1.00 0.00 C ATOM 1125 C LEU A 69 4.532 4.612 12.640 1.00 0.00 C ATOM 1126 O LEU A 69 5.356 4.224 13.462 1.00 0.00 O ATOM 1127 CB LEU A 69 2.723 2.973 12.240 1.00 0.00 C ATOM 1128 CG LEU A 69 1.560 3.930 12.443 1.00 0.00 C ATOM 1129 CD1 LEU A 69 1.313 4.705 11.149 1.00 0.00 C ATOM 1130 CD2 LEU A 69 0.325 3.169 12.867 1.00 0.00 C ATOM 0 H LEU A 69 5.889 3.153 11.707 1.00 0.00 H new ATOM 0 HA LEU A 69 3.600 4.089 10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.407 2.164 11.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.983 2.521 13.197 1.00 0.00 H new ATOM 0 HG LEU A 69 1.802 4.639 13.235 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.479 5.393 11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.208 5.269 10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.075 4.007 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.501 3.866 13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.061 2.446 12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.523 2.646 13.802 1.00 0.00 H new ATOM 1142 N GLU A 70 4.167 5.851 12.529 1.00 0.00 N ATOM 1143 CA GLU A 70 4.642 6.857 13.431 1.00 0.00 C ATOM 1144 C GLU A 70 4.007 6.610 14.789 1.00 0.00 C ATOM 1145 O GLU A 70 2.864 6.119 14.865 1.00 0.00 O ATOM 1146 CB GLU A 70 4.250 8.234 12.895 1.00 0.00 C ATOM 1147 CG GLU A 70 4.764 9.410 13.704 1.00 0.00 C ATOM 1148 CD GLU A 70 4.408 10.718 13.069 1.00 0.00 C ATOM 1149 OE1 GLU A 70 5.102 11.124 12.114 1.00 0.00 O ATOM 1150 OE2 GLU A 70 3.420 11.372 13.497 1.00 0.00 O ATOM 0 H GLU A 70 3.531 6.195 11.810 1.00 0.00 H new ATOM 0 HA GLU A 70 5.727 6.818 13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.618 8.327 11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.163 8.293 12.849 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.347 9.369 14.710 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.847 9.337 13.804 1.00 0.00 H new ATOM 1157 N HIS A 71 4.716 6.914 15.850 1.00 0.00 N ATOM 1158 CA HIS A 71 4.171 6.744 17.186 1.00 0.00 C ATOM 1159 C HIS A 71 3.331 7.962 17.518 1.00 0.00 C ATOM 1160 O HIS A 71 3.649 8.755 18.400 1.00 0.00 O ATOM 1161 CB HIS A 71 5.273 6.510 18.233 1.00 0.00 C ATOM 1162 CG HIS A 71 6.105 5.288 17.969 1.00 0.00 C ATOM 1163 ND1 HIS A 71 7.337 5.335 17.361 1.00 0.00 N ATOM 1164 CD2 HIS A 71 5.876 3.984 18.228 1.00 0.00 C ATOM 1165 CE1 HIS A 71 7.823 4.128 17.258 1.00 0.00 C ATOM 1166 NE2 HIS A 71 6.962 3.290 17.775 1.00 0.00 N ATOM 0 H HIS A 71 5.668 7.279 15.820 1.00 0.00 H new ATOM 0 HA HIS A 71 3.546 5.851 17.209 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.925 7.383 18.263 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.814 6.421 19.218 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.000 3.568 18.703 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.775 3.866 16.820 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.082 2.279 17.831 1.00 0.00 H new ATOM 1175 N HIS A 72 2.285 8.118 16.750 1.00 0.00 N ATOM 1176 CA HIS A 72 1.424 9.263 16.811 1.00 0.00 C ATOM 1177 C HIS A 72 0.279 8.989 17.769 1.00 0.00 C ATOM 1178 O HIS A 72 -0.310 9.904 18.314 1.00 0.00 O ATOM 1179 CB HIS A 72 0.895 9.554 15.396 1.00 0.00 C ATOM 1180 CG HIS A 72 0.328 10.930 15.181 1.00 0.00 C ATOM 1181 ND1 HIS A 72 1.008 11.903 14.495 1.00 0.00 N ATOM 1182 CD2 HIS A 72 -0.868 11.479 15.515 1.00 0.00 C ATOM 1183 CE1 HIS A 72 0.269 12.986 14.410 1.00 0.00 C ATOM 1184 NE2 HIS A 72 -0.875 12.758 15.020 1.00 0.00 N ATOM 0 H HIS A 72 2.004 7.433 16.048 1.00 0.00 H new ATOM 0 HA HIS A 72 1.972 10.132 17.175 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.708 9.401 14.686 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.123 8.822 15.159 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.947 11.801 14.109 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.663 10.999 16.066 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.552 13.907 13.922 1.00 0.00 H new ATOM 1193 N HIS A 73 -0.034 7.730 17.973 1.00 0.00 N ATOM 1194 CA HIS A 73 -1.103 7.369 18.882 1.00 0.00 C ATOM 1195 C HIS A 73 -0.550 6.653 20.074 1.00 0.00 C ATOM 1196 O HIS A 73 0.436 5.916 19.970 1.00 0.00 O ATOM 1197 CB HIS A 73 -2.188 6.487 18.228 1.00 0.00 C ATOM 1198 CG HIS A 73 -2.998 7.150 17.157 1.00 0.00 C ATOM 1199 ND1 HIS A 73 -4.260 7.676 17.366 1.00 0.00 N ATOM 1200 CD2 HIS A 73 -2.729 7.347 15.853 1.00 0.00 C ATOM 1201 CE1 HIS A 73 -4.720 8.166 16.234 1.00 0.00 C ATOM 1202 NE2 HIS A 73 -3.809 7.979 15.302 1.00 0.00 N ATOM 0 H HIS A 73 0.432 6.941 17.526 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.576 8.305 19.179 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.708 5.606 17.803 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.865 6.137 19.007 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.825 7.059 15.336 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.680 8.640 16.094 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.895 8.261 14.325 1.00 0.00 H new ATOM 1211 N HIS A 74 -1.151 6.896 21.193 1.00 0.00 N ATOM 1212 CA HIS A 74 -0.834 6.198 22.417 1.00 0.00 C ATOM 1213 C HIS A 74 -2.169 5.886 23.080 1.00 0.00 C ATOM 1214 O HIS A 74 -2.296 5.747 24.293 1.00 0.00 O ATOM 1215 CB HIS A 74 0.068 7.063 23.324 1.00 0.00 C ATOM 1216 CG HIS A 74 0.617 6.315 24.512 1.00 0.00 C ATOM 1217 ND1 HIS A 74 0.325 6.641 25.817 1.00 0.00 N ATOM 1218 CD2 HIS A 74 1.442 5.245 24.573 1.00 0.00 C ATOM 1219 CE1 HIS A 74 0.942 5.809 26.622 1.00 0.00 C ATOM 1220 NE2 HIS A 74 1.625 4.951 25.895 1.00 0.00 N ATOM 0 H HIS A 74 -1.888 7.594 21.294 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.275 5.282 22.226 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.898 7.452 22.734 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.502 7.922 23.677 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.875 4.721 23.734 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.897 5.826 27.701 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.198 4.190 26.259 1.00 0.00 H new ATOM 1229 N HIS A 75 -3.145 5.757 22.242 1.00 0.00 N ATOM 1230 CA HIS A 75 -4.488 5.502 22.622 1.00 0.00 C ATOM 1231 C HIS A 75 -5.136 4.657 21.554 1.00 0.00 C ATOM 1232 O HIS A 75 -5.143 5.021 20.372 1.00 0.00 O ATOM 1233 CB HIS A 75 -5.264 6.822 22.806 1.00 0.00 C ATOM 1234 CG HIS A 75 -6.740 6.649 23.060 1.00 0.00 C ATOM 1235 ND1 HIS A 75 -7.698 6.929 22.111 1.00 0.00 N ATOM 1236 CD2 HIS A 75 -7.416 6.225 24.154 1.00 0.00 C ATOM 1237 CE1 HIS A 75 -8.889 6.690 22.607 1.00 0.00 C ATOM 1238 NE2 HIS A 75 -8.750 6.262 23.843 1.00 0.00 N ATOM 0 H HIS A 75 -3.019 5.830 21.233 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.503 4.973 23.575 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -4.827 7.373 23.639 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.131 7.434 21.914 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.985 5.916 25.095 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.826 6.823 22.087 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.512 6.000 24.469 1.00 0.00 H new ATOM 1247 N HIS A 76 -5.632 3.547 21.958 1.00 0.00 N ATOM 1248 CA HIS A 76 -6.349 2.674 21.100 1.00 0.00 C ATOM 1249 C HIS A 76 -7.817 3.000 21.251 1.00 0.00 C ATOM 1250 O HIS A 76 -8.346 3.773 20.443 1.00 0.00 O ATOM 1251 CB HIS A 76 -6.069 1.210 21.466 1.00 0.00 C ATOM 1252 CG HIS A 76 -6.855 0.227 20.660 1.00 0.00 C ATOM 1253 ND1 HIS A 76 -7.940 -0.453 21.156 1.00 0.00 N ATOM 1254 CD2 HIS A 76 -6.710 -0.182 19.384 1.00 0.00 C ATOM 1255 CE1 HIS A 76 -8.424 -1.234 20.222 1.00 0.00 C ATOM 1256 NE2 HIS A 76 -7.701 -1.089 19.139 1.00 0.00 N ATOM 1257 OXT HIS A 76 -8.426 2.539 22.210 1.00 0.00 O ATOM 0 H HIS A 76 -5.550 3.210 22.917 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.038 2.809 20.064 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.006 1.008 21.332 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.291 1.060 22.523 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.953 0.146 18.687 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.277 -1.888 20.327 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -7.854 -1.575 18.255 1.00 0.00 H new TER 1266 HIS A 76