USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 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+ -152:sc= -0.0932 (180deg=-1.49!) USER MOD Single : A 3 MET CE :methyl -162:sc= -0.194 (180deg=-0.743) USER MOD Single : A 6 CYS SG : rot 62:sc= 0.0727 USER MOD Single : A 8 THR OG1 : rot -101:sc= 0.51 USER MOD Single : A 10 THR OG1 : rot 88:sc= 0.178 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0465 (180deg=-0.277) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.297) 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=-0.00973 X(o=-0.0097,f=-0.11) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 49:sc= -1.2 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -143:sc= 1.16 USER MOD Single : A 32 THR OG1 : rot -100:sc= 0.0546 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 80:sc= 0.11 USER MOD Single : A 49 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 52 TYR OH : rot -148:sc= 1.29 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.23) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.375 K(o=0.37,f=-3.9!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.057) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.00057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.841 8.533 -13.876 1.00 0.00 N ATOM 2 CA GLU A 1 11.593 7.656 -14.776 1.00 0.00 C ATOM 3 C GLU A 1 13.025 7.556 -14.296 1.00 0.00 C ATOM 4 O GLU A 1 13.288 7.906 -13.139 1.00 0.00 O ATOM 5 CB GLU A 1 11.496 8.152 -16.239 1.00 0.00 C ATOM 6 CG GLU A 1 10.176 7.812 -16.940 1.00 0.00 C ATOM 7 CD GLU A 1 8.971 8.289 -16.189 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.552 7.608 -15.244 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.449 9.364 -16.487 1.00 0.00 O ATOM 0 H1 GLU A 1 9.838 8.257 -13.880 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.220 8.447 -12.911 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.930 9.518 -14.197 1.00 0.00 H new ATOM 0 HA GLU A 1 11.159 6.656 -14.760 1.00 0.00 H new ATOM 0 HB2 GLU A 1 11.632 9.233 -16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.318 7.721 -16.811 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.175 8.256 -17.935 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.110 6.732 -17.073 1.00 0.00 H new ATOM 18 N ASP A 2 13.930 7.043 -15.158 1.00 0.00 N ATOM 19 CA ASP A 2 15.366 6.797 -14.849 1.00 0.00 C ATOM 20 C ASP A 2 15.486 5.564 -14.017 1.00 0.00 C ATOM 21 O ASP A 2 16.052 4.555 -14.449 1.00 0.00 O ATOM 22 CB ASP A 2 16.087 7.973 -14.161 1.00 0.00 C ATOM 23 CG ASP A 2 16.068 9.234 -14.962 1.00 0.00 C ATOM 24 OD1 ASP A 2 16.665 9.267 -16.057 1.00 0.00 O ATOM 25 OD2 ASP A 2 15.459 10.230 -14.512 1.00 0.00 O ATOM 0 H ASP A 2 13.682 6.780 -16.112 1.00 0.00 H new ATOM 0 HA ASP A 2 15.868 6.674 -15.809 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.620 8.159 -13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.122 7.691 -13.967 1.00 0.00 H new ATOM 30 N MET A 3 14.946 5.631 -12.828 1.00 0.00 N ATOM 31 CA MET A 3 14.849 4.477 -11.989 1.00 0.00 C ATOM 32 C MET A 3 13.726 3.631 -12.559 1.00 0.00 C ATOM 33 O MET A 3 12.805 4.179 -13.185 1.00 0.00 O ATOM 34 CB MET A 3 14.540 4.867 -10.527 1.00 0.00 C ATOM 35 CG MET A 3 13.168 5.507 -10.310 1.00 0.00 C ATOM 36 SD MET A 3 12.836 5.924 -8.578 1.00 0.00 S ATOM 37 CE MET A 3 13.002 4.311 -7.791 1.00 0.00 C ATOM 0 H MET A 3 14.564 6.485 -12.420 1.00 0.00 H new ATOM 0 HA MET A 3 15.794 3.934 -11.972 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.612 3.975 -9.905 1.00 0.00 H new ATOM 0 HB3 MET A 3 15.307 5.559 -10.181 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.097 6.412 -10.914 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.396 4.825 -10.666 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.526 4.334 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.522 3.553 -8.410 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.059 4.070 -7.675 1.00 0.00 H new ATOM 47 N GLU A 4 13.801 2.341 -12.389 1.00 0.00 N ATOM 48 CA GLU A 4 12.782 1.464 -12.923 1.00 0.00 C ATOM 49 C GLU A 4 11.476 1.632 -12.160 1.00 0.00 C ATOM 50 O GLU A 4 11.444 1.451 -10.929 1.00 0.00 O ATOM 51 CB GLU A 4 13.216 0.007 -12.855 1.00 0.00 C ATOM 52 CG GLU A 4 14.452 -0.330 -13.656 1.00 0.00 C ATOM 53 CD GLU A 4 14.753 -1.799 -13.601 1.00 0.00 C ATOM 54 OE1 GLU A 4 15.404 -2.248 -12.646 1.00 0.00 O ATOM 55 OE2 GLU A 4 14.310 -2.543 -14.491 1.00 0.00 O ATOM 0 H GLU A 4 14.553 1.869 -11.887 1.00 0.00 H new ATOM 0 HA GLU A 4 12.632 1.739 -13.967 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.395 -0.255 -11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.394 -0.618 -13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.311 -0.024 -14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.302 0.232 -13.271 1.00 0.00 H new ATOM 62 N PRO A 5 10.394 2.036 -12.846 1.00 0.00 N ATOM 63 CA PRO A 5 9.080 2.114 -12.249 1.00 0.00 C ATOM 64 C PRO A 5 8.534 0.714 -11.983 1.00 0.00 C ATOM 65 O PRO A 5 7.816 0.129 -12.810 1.00 0.00 O ATOM 66 CB PRO A 5 8.218 2.840 -13.301 1.00 0.00 C ATOM 67 CG PRO A 5 9.199 3.420 -14.255 1.00 0.00 C ATOM 68 CD PRO A 5 10.373 2.487 -14.240 1.00 0.00 C ATOM 0 HA PRO A 5 9.088 2.634 -11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.539 2.150 -13.802 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.604 3.616 -12.843 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.774 3.499 -15.255 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.493 4.425 -13.953 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.242 1.657 -14.934 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.298 2.992 -14.518 1.00 0.00 H new ATOM 76 N CYS A 6 8.979 0.144 -10.903 1.00 0.00 N ATOM 77 CA CYS A 6 8.558 -1.158 -10.495 1.00 0.00 C ATOM 78 C CYS A 6 7.302 -1.027 -9.665 1.00 0.00 C ATOM 79 O CYS A 6 6.200 -1.378 -10.118 1.00 0.00 O ATOM 80 CB CYS A 6 9.667 -1.827 -9.681 1.00 0.00 C ATOM 81 SG CYS A 6 11.266 -1.905 -10.523 1.00 0.00 S ATOM 0 H CYS A 6 9.654 0.578 -10.274 1.00 0.00 H new ATOM 0 HA CYS A 6 8.351 -1.775 -11.369 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.790 -1.286 -8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.354 -2.840 -9.426 1.00 0.00 H new ATOM 0 HG CYS A 6 11.688 -0.700 -10.765 1.00 0.00 H new ATOM 87 N LEU A 7 7.472 -0.447 -8.471 1.00 0.00 N ATOM 88 CA LEU A 7 6.416 -0.229 -7.472 1.00 0.00 C ATOM 89 C LEU A 7 5.862 -1.547 -6.902 1.00 0.00 C ATOM 90 O LEU A 7 5.819 -1.731 -5.686 1.00 0.00 O ATOM 91 CB LEU A 7 5.282 0.715 -7.970 1.00 0.00 C ATOM 92 CG LEU A 7 5.654 2.203 -8.230 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.569 2.375 -9.429 1.00 0.00 C ATOM 94 CD2 LEU A 7 4.409 3.039 -8.411 1.00 0.00 C ATOM 0 H LEU A 7 8.381 -0.104 -8.162 1.00 0.00 H new ATOM 0 HA LEU A 7 6.901 0.293 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.881 0.301 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.477 0.692 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 7 6.199 2.546 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.796 3.432 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.494 1.823 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.074 1.993 -10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.690 4.076 -8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.839 2.664 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.797 2.981 -7.511 1.00 0.00 H new ATOM 106 N THR A 8 5.458 -2.447 -7.779 1.00 0.00 N ATOM 107 CA THR A 8 4.962 -3.745 -7.417 1.00 0.00 C ATOM 108 C THR A 8 5.997 -4.492 -6.562 1.00 0.00 C ATOM 109 O THR A 8 7.128 -4.729 -6.994 1.00 0.00 O ATOM 110 CB THR A 8 4.644 -4.551 -8.689 1.00 0.00 C ATOM 111 OG1 THR A 8 3.717 -3.803 -9.511 1.00 0.00 O ATOM 112 CG2 THR A 8 4.030 -5.898 -8.342 1.00 0.00 C ATOM 0 H THR A 8 5.469 -2.283 -8.786 1.00 0.00 H new ATOM 0 HA THR A 8 4.050 -3.626 -6.831 1.00 0.00 H new ATOM 0 HB THR A 8 5.575 -4.723 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.812 -4.158 -9.389 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.815 -6.447 -9.259 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.729 -6.470 -7.732 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.105 -5.744 -7.786 1.00 0.00 H new ATOM 120 N GLY A 9 5.615 -4.813 -5.348 1.00 0.00 N ATOM 121 CA GLY A 9 6.510 -5.485 -4.451 1.00 0.00 C ATOM 122 C GLY A 9 6.911 -4.604 -3.292 1.00 0.00 C ATOM 123 O GLY A 9 7.347 -5.103 -2.254 1.00 0.00 O ATOM 0 H GLY A 9 4.690 -4.618 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.033 -6.389 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.401 -5.798 -4.994 1.00 0.00 H new ATOM 127 N THR A 10 6.764 -3.301 -3.454 1.00 0.00 N ATOM 128 CA THR A 10 7.099 -2.375 -2.395 1.00 0.00 C ATOM 129 C THR A 10 6.025 -2.425 -1.316 1.00 0.00 C ATOM 130 O THR A 10 4.813 -2.335 -1.615 1.00 0.00 O ATOM 131 CB THR A 10 7.225 -0.943 -2.950 1.00 0.00 C ATOM 132 OG1 THR A 10 8.193 -0.944 -4.018 1.00 0.00 O ATOM 133 CG2 THR A 10 7.659 0.058 -1.873 1.00 0.00 C ATOM 0 H THR A 10 6.416 -2.864 -4.307 1.00 0.00 H new ATOM 0 HA THR A 10 8.058 -2.662 -1.964 1.00 0.00 H new ATOM 0 HB THR A 10 6.245 -0.632 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.747 -1.158 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.734 1.053 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.923 0.070 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.629 -0.236 -1.472 1.00 0.00 H new ATOM 141 N LYS A 11 6.452 -2.599 -0.092 1.00 0.00 N ATOM 142 CA LYS A 11 5.547 -2.656 1.015 1.00 0.00 C ATOM 143 C LYS A 11 5.280 -1.268 1.555 1.00 0.00 C ATOM 144 O LYS A 11 6.199 -0.489 1.804 1.00 0.00 O ATOM 145 CB LYS A 11 5.958 -3.719 2.097 1.00 0.00 C ATOM 146 CG LYS A 11 7.384 -3.646 2.684 1.00 0.00 C ATOM 147 CD LYS A 11 7.584 -2.473 3.639 1.00 0.00 C ATOM 148 CE LYS A 11 9.000 -2.435 4.194 1.00 0.00 C ATOM 149 NZ LYS A 11 10.013 -2.309 3.129 1.00 0.00 N ATOM 0 H LYS A 11 7.435 -2.704 0.160 1.00 0.00 H new ATOM 0 HA LYS A 11 4.590 -3.031 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.253 -3.642 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.828 -4.708 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.601 -4.575 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.102 -3.567 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.372 -1.539 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.873 -2.548 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.095 -1.597 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.188 -3.343 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.928 -2.051 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.105 -3.216 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.720 -1.571 2.457 1.00 0.00 H new ATOM 163 N VAL A 12 4.030 -0.943 1.663 1.00 0.00 N ATOM 164 CA VAL A 12 3.608 0.363 2.068 1.00 0.00 C ATOM 165 C VAL A 12 2.641 0.283 3.230 1.00 0.00 C ATOM 166 O VAL A 12 2.264 -0.801 3.660 1.00 0.00 O ATOM 167 CB VAL A 12 2.941 1.124 0.897 1.00 0.00 C ATOM 168 CG1 VAL A 12 3.917 1.309 -0.239 1.00 0.00 C ATOM 169 CG2 VAL A 12 1.701 0.391 0.406 1.00 0.00 C ATOM 0 H VAL A 12 3.262 -1.586 1.470 1.00 0.00 H new ATOM 0 HA VAL A 12 4.499 0.908 2.381 1.00 0.00 H new ATOM 0 HB VAL A 12 2.638 2.104 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.430 1.846 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.777 1.881 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.250 0.334 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.252 0.947 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.980 -0.605 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.982 0.305 1.221 1.00 0.00 H new ATOM 179 N LYS A 13 2.247 1.412 3.720 1.00 0.00 N ATOM 180 CA LYS A 13 1.311 1.497 4.801 1.00 0.00 C ATOM 181 C LYS A 13 0.014 2.064 4.272 1.00 0.00 C ATOM 182 O LYS A 13 0.033 3.019 3.529 1.00 0.00 O ATOM 183 CB LYS A 13 1.873 2.418 5.857 1.00 0.00 C ATOM 184 CG LYS A 13 2.249 1.772 7.158 1.00 0.00 C ATOM 185 CD LYS A 13 1.050 1.212 7.855 1.00 0.00 C ATOM 186 CE LYS A 13 1.277 1.082 9.347 1.00 0.00 C ATOM 187 NZ LYS A 13 2.557 0.418 9.699 1.00 0.00 N ATOM 0 H LYS A 13 2.569 2.317 3.378 1.00 0.00 H new ATOM 0 HA LYS A 13 1.133 0.512 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.756 2.910 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.139 3.198 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.971 0.976 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.737 2.504 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.190 1.856 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.810 0.234 7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.257 2.075 9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.453 0.518 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.460 -0.058 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.796 -0.284 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.313 1.130 9.756 1.00 0.00 H new ATOM 201 N VAL A 14 -1.087 1.495 4.643 1.00 0.00 N ATOM 202 CA VAL A 14 -2.370 1.953 4.159 1.00 0.00 C ATOM 203 C VAL A 14 -3.271 2.289 5.326 1.00 0.00 C ATOM 204 O VAL A 14 -3.397 1.515 6.266 1.00 0.00 O ATOM 205 CB VAL A 14 -3.052 0.882 3.258 1.00 0.00 C ATOM 206 CG1 VAL A 14 -4.421 1.349 2.774 1.00 0.00 C ATOM 207 CG2 VAL A 14 -2.172 0.547 2.072 1.00 0.00 C ATOM 0 H VAL A 14 -1.134 0.704 5.285 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.203 2.846 3.557 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.193 -0.014 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.868 0.577 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.065 1.538 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.309 2.266 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.665 -0.203 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.999 1.447 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.218 0.156 2.426 1.00 0.00 H new ATOM 217 N LYS A 15 -3.877 3.426 5.266 1.00 0.00 N ATOM 218 CA LYS A 15 -4.785 3.866 6.286 1.00 0.00 C ATOM 219 C LYS A 15 -6.181 3.793 5.701 1.00 0.00 C ATOM 220 O LYS A 15 -6.490 4.490 4.737 1.00 0.00 O ATOM 221 CB LYS A 15 -4.427 5.305 6.668 1.00 0.00 C ATOM 222 CG LYS A 15 -5.313 5.951 7.714 1.00 0.00 C ATOM 223 CD LYS A 15 -4.885 7.390 7.925 1.00 0.00 C ATOM 224 CE LYS A 15 -5.809 8.126 8.867 1.00 0.00 C ATOM 225 NZ LYS A 15 -5.479 9.560 8.939 1.00 0.00 N ATOM 0 H LYS A 15 -3.758 4.089 4.500 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.727 3.248 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.399 5.319 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.455 5.918 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.355 5.914 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.246 5.400 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.870 7.411 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.862 7.905 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.840 8.005 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.741 7.686 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.133 10.034 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.503 9.675 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.568 9.985 7.994 1.00 0.00 H new ATOM 239 N TYR A 16 -7.015 2.931 6.224 1.00 0.00 N ATOM 240 CA TYR A 16 -8.316 2.764 5.645 1.00 0.00 C ATOM 241 C TYR A 16 -9.375 2.777 6.741 1.00 0.00 C ATOM 242 O TYR A 16 -9.405 1.903 7.608 1.00 0.00 O ATOM 243 CB TYR A 16 -8.351 1.453 4.840 1.00 0.00 C ATOM 244 CG TYR A 16 -9.407 1.420 3.759 1.00 0.00 C ATOM 245 CD1 TYR A 16 -10.699 1.013 4.028 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.097 1.814 2.459 1.00 0.00 C ATOM 247 CE1 TYR A 16 -11.658 0.998 3.031 1.00 0.00 C ATOM 248 CE2 TYR A 16 -10.050 1.799 1.459 1.00 0.00 C ATOM 249 CZ TYR A 16 -11.328 1.392 1.753 1.00 0.00 C ATOM 250 OH TYR A 16 -12.284 1.377 0.764 1.00 0.00 O ATOM 0 H TYR A 16 -6.819 2.345 7.035 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.531 3.588 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.374 1.293 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.522 0.623 5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.964 0.703 5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.093 2.137 2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.665 0.678 3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.792 2.104 0.456 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.888 1.685 -0.078 1.00 0.00 H new ATOM 260 N GLY A 17 -10.221 3.780 6.728 1.00 0.00 N ATOM 261 CA GLY A 17 -11.219 3.867 7.737 1.00 0.00 C ATOM 262 C GLY A 17 -12.353 4.740 7.348 1.00 0.00 C ATOM 263 O GLY A 17 -12.229 5.546 6.415 1.00 0.00 O ATOM 0 H GLY A 17 -10.230 4.530 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.594 2.868 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.770 4.249 8.654 1.00 0.00 H new ATOM 267 N ARG A 18 -13.455 4.559 8.018 1.00 0.00 N ATOM 268 CA ARG A 18 -14.636 5.344 7.807 1.00 0.00 C ATOM 269 C ARG A 18 -15.371 5.510 9.129 1.00 0.00 C ATOM 270 O ARG A 18 -15.617 4.529 9.836 1.00 0.00 O ATOM 271 CB ARG A 18 -15.530 4.716 6.719 1.00 0.00 C ATOM 272 CG ARG A 18 -16.027 3.306 7.017 1.00 0.00 C ATOM 273 CD ARG A 18 -16.733 2.710 5.814 1.00 0.00 C ATOM 274 NE ARG A 18 -15.806 2.468 4.703 1.00 0.00 N ATOM 275 CZ ARG A 18 -16.117 2.530 3.406 1.00 0.00 C ATOM 276 NH1 ARG A 18 -17.335 2.892 3.022 1.00 0.00 N ATOM 277 NH2 ARG A 18 -15.199 2.233 2.493 1.00 0.00 N ATOM 0 H ARG A 18 -13.559 3.847 8.741 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.356 6.333 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.394 5.363 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.974 4.697 5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.186 2.673 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.708 3.329 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.210 1.773 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.525 3.384 5.487 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.843 2.233 4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.041 3.125 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.564 2.937 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.261 1.959 2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.433 2.279 1.501 1.00 0.00 H new ATOM 291 N GLY A 19 -15.666 6.732 9.481 1.00 0.00 N ATOM 292 CA GLY A 19 -16.358 7.003 10.714 1.00 0.00 C ATOM 293 C GLY A 19 -15.473 6.758 11.920 1.00 0.00 C ATOM 294 O GLY A 19 -14.360 7.306 12.011 1.00 0.00 O ATOM 0 H GLY A 19 -15.437 7.559 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.701 8.038 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.245 6.373 10.780 1.00 0.00 H new ATOM 298 N LYS A 20 -15.929 5.909 12.809 1.00 0.00 N ATOM 299 CA LYS A 20 -15.208 5.597 14.026 1.00 0.00 C ATOM 300 C LYS A 20 -14.184 4.502 13.760 1.00 0.00 C ATOM 301 O LYS A 20 -13.067 4.522 14.317 1.00 0.00 O ATOM 302 CB LYS A 20 -16.192 5.149 15.123 1.00 0.00 C ATOM 303 CG LYS A 20 -15.551 4.824 16.469 1.00 0.00 C ATOM 304 CD LYS A 20 -16.587 4.309 17.458 1.00 0.00 C ATOM 305 CE LYS A 20 -15.960 3.953 18.798 1.00 0.00 C ATOM 306 NZ LYS A 20 -16.957 3.414 19.741 1.00 0.00 N ATOM 0 H LYS A 20 -16.814 5.411 12.711 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.686 6.491 14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.932 5.936 15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.729 4.268 14.771 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.770 4.076 16.332 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.071 5.716 16.872 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.356 5.067 17.606 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.081 3.430 17.043 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.169 3.219 18.646 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.494 4.839 19.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.493 3.183 20.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.699 4.124 19.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.384 2.554 19.341 1.00 0.00 H new ATOM 320 N THR A 21 -14.540 3.564 12.901 1.00 0.00 N ATOM 321 CA THR A 21 -13.665 2.465 12.613 1.00 0.00 C ATOM 322 C THR A 21 -12.652 2.838 11.516 1.00 0.00 C ATOM 323 O THR A 21 -12.972 2.972 10.327 1.00 0.00 O ATOM 324 CB THR A 21 -14.439 1.131 12.301 1.00 0.00 C ATOM 325 OG1 THR A 21 -13.522 0.028 12.089 1.00 0.00 O ATOM 326 CG2 THR A 21 -15.373 1.268 11.092 1.00 0.00 C ATOM 0 H THR A 21 -15.427 3.549 12.398 1.00 0.00 H new ATOM 0 HA THR A 21 -13.098 2.259 13.521 1.00 0.00 H new ATOM 0 HB THR A 21 -15.052 0.921 13.177 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.030 -0.788 11.899 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.884 0.321 10.918 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.110 2.047 11.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.790 1.533 10.210 1.00 0.00 H new ATOM 334 N GLN A 22 -11.454 3.081 11.945 1.00 0.00 N ATOM 335 CA GLN A 22 -10.377 3.403 11.067 1.00 0.00 C ATOM 336 C GLN A 22 -9.195 2.551 11.434 1.00 0.00 C ATOM 337 O GLN A 22 -8.676 2.643 12.539 1.00 0.00 O ATOM 338 CB GLN A 22 -10.057 4.894 11.141 1.00 0.00 C ATOM 339 CG GLN A 22 -8.905 5.346 10.261 1.00 0.00 C ATOM 340 CD GLN A 22 -8.732 6.838 10.302 1.00 0.00 C ATOM 341 OE1 GLN A 22 -8.006 7.368 11.128 1.00 0.00 O ATOM 342 NE2 GLN A 22 -9.407 7.536 9.424 1.00 0.00 N ATOM 0 H GLN A 22 -11.194 3.061 12.931 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.652 3.194 10.033 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.949 5.456 10.864 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.827 5.150 12.175 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.984 4.863 10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.084 5.028 9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.005 7.062 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.335 8.553 9.417 1.00 0.00 H new ATOM 351 N LYS A 23 -8.801 1.709 10.535 1.00 0.00 N ATOM 352 CA LYS A 23 -7.754 0.771 10.791 1.00 0.00 C ATOM 353 C LYS A 23 -6.642 0.904 9.791 1.00 0.00 C ATOM 354 O LYS A 23 -6.863 1.214 8.617 1.00 0.00 O ATOM 355 CB LYS A 23 -8.323 -0.639 10.881 1.00 0.00 C ATOM 356 CG LYS A 23 -9.335 -0.971 9.810 1.00 0.00 C ATOM 357 CD LYS A 23 -10.088 -2.215 10.181 1.00 0.00 C ATOM 358 CE LYS A 23 -11.221 -2.482 9.209 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.005 -3.678 9.581 1.00 0.00 N ATOM 0 H LYS A 23 -9.198 1.651 9.597 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.304 0.993 11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.502 -1.354 10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.789 -0.768 11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.029 -0.140 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.831 -1.113 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.407 -3.066 10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.488 -2.114 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.880 -1.614 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.814 -2.614 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.768 -3.822 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.383 -4.512 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.416 -3.543 10.527 1.00 0.00 H new ATOM 373 N ILE A 24 -5.455 0.715 10.256 1.00 0.00 N ATOM 374 CA ILE A 24 -4.301 0.904 9.448 1.00 0.00 C ATOM 375 C ILE A 24 -3.690 -0.461 9.136 1.00 0.00 C ATOM 376 O ILE A 24 -3.484 -1.292 10.038 1.00 0.00 O ATOM 377 CB ILE A 24 -3.235 1.859 10.130 1.00 0.00 C ATOM 378 CG1 ILE A 24 -3.808 3.271 10.467 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.030 2.030 9.234 1.00 0.00 C ATOM 380 CD1 ILE A 24 -4.771 3.338 11.650 1.00 0.00 C ATOM 0 H ILE A 24 -5.257 0.423 11.213 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.604 1.397 8.524 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.954 1.377 11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.973 3.942 10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.321 3.653 9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.308 2.688 9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.571 1.058 9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.341 2.467 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.104 4.366 11.790 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.633 2.701 11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.264 2.995 12.552 1.00 0.00 H new ATOM 392 N TYR A 25 -3.443 -0.695 7.882 1.00 0.00 N ATOM 393 CA TYR A 25 -2.913 -1.948 7.402 1.00 0.00 C ATOM 394 C TYR A 25 -1.561 -1.704 6.759 1.00 0.00 C ATOM 395 O TYR A 25 -1.203 -0.566 6.461 1.00 0.00 O ATOM 396 CB TYR A 25 -3.796 -2.518 6.304 1.00 0.00 C ATOM 397 CG TYR A 25 -5.242 -2.818 6.620 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.602 -4.017 7.206 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.258 -1.932 6.254 1.00 0.00 C ATOM 400 CE1 TYR A 25 -6.919 -4.329 7.433 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.582 -2.244 6.464 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.903 -3.445 7.055 1.00 0.00 C ATOM 403 OH TYR A 25 -9.215 -3.777 7.249 1.00 0.00 O ATOM 0 H TYR A 25 -3.606 -0.010 7.144 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.854 -2.630 8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.778 -1.818 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.335 -3.442 5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.833 -4.721 7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.001 -0.987 5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.182 -5.264 7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.359 -1.555 6.169 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.340 -4.095 8.168 1.00 0.00 H new ATOM 413 N GLU A 26 -0.825 -2.754 6.536 1.00 0.00 N ATOM 414 CA GLU A 26 0.404 -2.674 5.797 1.00 0.00 C ATOM 415 C GLU A 26 0.192 -3.485 4.526 1.00 0.00 C ATOM 416 O GLU A 26 -0.391 -4.576 4.580 1.00 0.00 O ATOM 417 CB GLU A 26 1.561 -3.234 6.604 1.00 0.00 C ATOM 418 CG GLU A 26 1.668 -2.622 7.978 1.00 0.00 C ATOM 419 CD GLU A 26 3.030 -2.735 8.553 1.00 0.00 C ATOM 420 OE1 GLU A 26 3.420 -3.815 9.008 1.00 0.00 O ATOM 421 OE2 GLU A 26 3.742 -1.720 8.559 1.00 0.00 O ATOM 0 H GLU A 26 -1.059 -3.692 6.861 1.00 0.00 H new ATOM 0 HA GLU A 26 0.656 -1.638 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.441 -4.313 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.491 -3.064 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.387 -1.570 7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.956 -3.109 8.644 1.00 0.00 H new ATOM 428 N ALA A 27 0.625 -2.981 3.408 1.00 0.00 N ATOM 429 CA ALA A 27 0.331 -3.613 2.147 1.00 0.00 C ATOM 430 C ALA A 27 1.541 -3.653 1.228 1.00 0.00 C ATOM 431 O ALA A 27 2.614 -3.250 1.608 1.00 0.00 O ATOM 432 CB ALA A 27 -0.858 -2.920 1.491 1.00 0.00 C ATOM 0 H ALA A 27 1.185 -2.131 3.339 1.00 0.00 H new ATOM 0 HA ALA A 27 0.067 -4.653 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.078 -3.400 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.728 -2.994 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.619 -1.870 1.322 1.00 0.00 H new ATOM 438 N SER A 28 1.370 -4.184 0.048 1.00 0.00 N ATOM 439 CA SER A 28 2.420 -4.249 -0.942 1.00 0.00 C ATOM 440 C SER A 28 1.806 -4.017 -2.296 1.00 0.00 C ATOM 441 O SER A 28 0.751 -4.611 -2.613 1.00 0.00 O ATOM 442 CB SER A 28 3.135 -5.590 -0.895 1.00 0.00 C ATOM 443 OG SER A 28 3.664 -5.824 0.399 1.00 0.00 O ATOM 0 H SER A 28 0.487 -4.590 -0.261 1.00 0.00 H new ATOM 0 HA SER A 28 3.167 -3.482 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.442 -6.388 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.938 -5.607 -1.632 1.00 0.00 H new ATOM 0 HG SER A 28 4.120 -6.691 0.414 1.00 0.00 H new ATOM 449 N ILE A 29 2.400 -3.108 -3.051 1.00 0.00 N ATOM 450 CA ILE A 29 1.879 -2.697 -4.347 1.00 0.00 C ATOM 451 C ILE A 29 1.751 -3.886 -5.290 1.00 0.00 C ATOM 452 O ILE A 29 2.700 -4.652 -5.467 1.00 0.00 O ATOM 453 CB ILE A 29 2.771 -1.617 -5.016 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.016 -0.405 -4.081 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.157 -1.159 -6.338 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.764 0.342 -3.659 1.00 0.00 C ATOM 0 H ILE A 29 3.261 -2.631 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 29 0.893 -2.270 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 29 3.740 -2.074 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.532 -0.754 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.686 0.293 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.796 -0.402 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.067 -2.011 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.169 -0.737 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.038 1.172 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.255 0.727 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.099 -0.336 -3.124 1.00 0.00 H new ATOM 468 N LYS A 30 0.574 -4.045 -5.841 1.00 0.00 N ATOM 469 CA LYS A 30 0.287 -5.075 -6.802 1.00 0.00 C ATOM 470 C LYS A 30 0.329 -4.419 -8.175 1.00 0.00 C ATOM 471 O LYS A 30 0.973 -4.918 -9.104 1.00 0.00 O ATOM 472 CB LYS A 30 -1.112 -5.674 -6.479 1.00 0.00 C ATOM 473 CG LYS A 30 -1.512 -6.966 -7.214 1.00 0.00 C ATOM 474 CD LYS A 30 -1.835 -6.755 -8.677 1.00 0.00 C ATOM 475 CE LYS A 30 -2.262 -8.059 -9.337 1.00 0.00 C ATOM 476 NZ LYS A 30 -2.661 -7.866 -10.746 1.00 0.00 N ATOM 0 H LYS A 30 -0.226 -3.449 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 30 1.008 -5.892 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.157 -5.868 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.863 -4.915 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.700 -7.688 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.379 -7.403 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.631 -6.017 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.962 -6.352 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.441 -8.775 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.095 -8.490 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.944 -8.779 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.461 -7.203 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.859 -7.479 -11.284 1.00 0.00 H new ATOM 490 N SER A 31 -0.309 -3.276 -8.276 1.00 0.00 N ATOM 491 CA SER A 31 -0.367 -2.525 -9.496 1.00 0.00 C ATOM 492 C SER A 31 -0.584 -1.073 -9.156 1.00 0.00 C ATOM 493 O SER A 31 -1.101 -0.756 -8.086 1.00 0.00 O ATOM 494 CB SER A 31 -1.546 -3.027 -10.362 1.00 0.00 C ATOM 495 OG SER A 31 -1.666 -2.302 -11.588 1.00 0.00 O ATOM 0 H SER A 31 -0.807 -2.841 -7.499 1.00 0.00 H new ATOM 0 HA SER A 31 0.563 -2.649 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.408 -4.086 -10.581 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.474 -2.936 -9.797 1.00 0.00 H new ATOM 0 HG SER A 31 -2.614 -2.183 -11.806 1.00 0.00 H new ATOM 501 N THR A 32 -0.157 -0.206 -10.014 1.00 0.00 N ATOM 502 CA THR A 32 -0.477 1.171 -9.889 1.00 0.00 C ATOM 503 C THR A 32 -1.066 1.578 -11.190 1.00 0.00 C ATOM 504 O THR A 32 -0.520 1.237 -12.250 1.00 0.00 O ATOM 505 CB THR A 32 0.724 2.032 -9.650 1.00 0.00 C ATOM 506 OG1 THR A 32 1.613 1.375 -8.739 1.00 0.00 O ATOM 507 CG2 THR A 32 0.258 3.314 -9.035 1.00 0.00 C ATOM 0 H THR A 32 0.424 -0.436 -10.821 1.00 0.00 H new ATOM 0 HA THR A 32 -1.145 1.299 -9.037 1.00 0.00 H new ATOM 0 HB THR A 32 1.246 2.219 -10.589 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.490 1.743 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.115 3.961 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.434 3.813 -9.714 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.247 3.103 -8.093 1.00 0.00 H new ATOM 515 N GLU A 33 -2.136 2.265 -11.136 1.00 0.00 N ATOM 516 CA GLU A 33 -2.851 2.650 -12.322 1.00 0.00 C ATOM 517 C GLU A 33 -3.397 4.026 -12.174 1.00 0.00 C ATOM 518 O GLU A 33 -3.542 4.532 -11.071 1.00 0.00 O ATOM 519 CB GLU A 33 -3.942 1.637 -12.668 1.00 0.00 C ATOM 520 CG GLU A 33 -3.362 0.316 -13.168 1.00 0.00 C ATOM 521 CD GLU A 33 -4.340 -0.817 -13.287 1.00 0.00 C ATOM 522 OE1 GLU A 33 -5.173 -0.807 -14.217 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.234 -1.787 -12.497 1.00 0.00 O ATOM 0 H GLU A 33 -2.560 2.589 -10.267 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.152 2.657 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.557 1.452 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.597 2.057 -13.431 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.908 0.485 -14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.562 0.012 -12.493 1.00 0.00 H new ATOM 530 N ILE A 34 -3.674 4.633 -13.257 1.00 0.00 N ATOM 531 CA ILE A 34 -4.110 5.987 -13.247 1.00 0.00 C ATOM 532 C ILE A 34 -5.562 6.048 -13.593 1.00 0.00 C ATOM 533 O ILE A 34 -6.020 5.440 -14.574 1.00 0.00 O ATOM 534 CB ILE A 34 -3.267 6.906 -14.212 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.811 7.088 -13.726 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.919 8.273 -14.414 1.00 0.00 C ATOM 537 CD1 ILE A 34 -0.955 5.837 -13.729 1.00 0.00 C ATOM 0 H ILE A 34 -3.608 4.213 -14.184 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.955 6.375 -12.240 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.244 6.388 -15.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.329 7.837 -14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.833 7.488 -12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.305 8.873 -15.085 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.910 8.143 -14.848 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.007 8.780 -13.453 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.045 6.080 -13.370 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.403 5.088 -13.076 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.891 5.442 -14.743 1.00 0.00 H new ATOM 549 N ASP A 35 -6.283 6.742 -12.785 1.00 0.00 N ATOM 550 CA ASP A 35 -7.678 6.929 -12.979 1.00 0.00 C ATOM 551 C ASP A 35 -8.004 8.373 -13.047 1.00 0.00 C ATOM 552 O ASP A 35 -8.015 9.063 -12.028 1.00 0.00 O ATOM 553 CB ASP A 35 -8.507 6.261 -11.893 1.00 0.00 C ATOM 554 CG ASP A 35 -8.774 4.811 -12.163 1.00 0.00 C ATOM 555 OD1 ASP A 35 -9.630 4.528 -13.012 1.00 0.00 O ATOM 556 OD2 ASP A 35 -8.166 3.932 -11.540 1.00 0.00 O ATOM 0 H ASP A 35 -5.913 7.205 -11.955 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.933 6.454 -13.926 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.989 6.357 -10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.457 6.787 -11.795 1.00 0.00 H new ATOM 561 N ASP A 36 -8.244 8.820 -14.257 1.00 0.00 N ATOM 562 CA ASP A 36 -8.636 10.186 -14.597 1.00 0.00 C ATOM 563 C ASP A 36 -7.777 11.248 -13.901 1.00 0.00 C ATOM 564 O ASP A 36 -8.230 11.980 -13.014 1.00 0.00 O ATOM 565 CB ASP A 36 -10.138 10.415 -14.390 1.00 0.00 C ATOM 566 CG ASP A 36 -10.628 11.731 -14.961 1.00 0.00 C ATOM 567 OD1 ASP A 36 -10.445 11.963 -16.176 1.00 0.00 O ATOM 568 OD2 ASP A 36 -11.227 12.541 -14.217 1.00 0.00 O ATOM 0 H ASP A 36 -8.170 8.219 -15.078 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.440 10.306 -15.663 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.690 9.598 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.359 10.385 -13.323 1.00 0.00 H new ATOM 573 N GLY A 37 -6.507 11.246 -14.237 1.00 0.00 N ATOM 574 CA GLY A 37 -5.590 12.245 -13.731 1.00 0.00 C ATOM 575 C GLY A 37 -4.924 11.904 -12.401 1.00 0.00 C ATOM 576 O GLY A 37 -3.851 12.434 -12.104 1.00 0.00 O ATOM 0 H GLY A 37 -6.083 10.560 -14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.812 12.411 -14.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.129 13.186 -13.618 1.00 0.00 H new ATOM 580 N GLU A 38 -5.533 11.058 -11.591 1.00 0.00 N ATOM 581 CA GLU A 38 -4.928 10.711 -10.311 1.00 0.00 C ATOM 582 C GLU A 38 -4.413 9.280 -10.336 1.00 0.00 C ATOM 583 O GLU A 38 -4.963 8.425 -11.039 1.00 0.00 O ATOM 584 CB GLU A 38 -5.886 10.978 -9.123 1.00 0.00 C ATOM 585 CG GLU A 38 -7.191 10.185 -9.125 1.00 0.00 C ATOM 586 CD GLU A 38 -8.115 10.595 -7.996 1.00 0.00 C ATOM 587 OE1 GLU A 38 -7.996 10.076 -6.867 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.979 11.477 -8.201 1.00 0.00 O ATOM 0 H GLU A 38 -6.426 10.605 -11.786 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.071 11.365 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.354 10.761 -8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.129 12.040 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.700 10.329 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.967 9.122 -9.041 1.00 0.00 H new ATOM 595 N VAL A 39 -3.361 9.017 -9.595 1.00 0.00 N ATOM 596 CA VAL A 39 -2.742 7.710 -9.613 1.00 0.00 C ATOM 597 C VAL A 39 -3.234 6.917 -8.425 1.00 0.00 C ATOM 598 O VAL A 39 -3.041 7.317 -7.271 1.00 0.00 O ATOM 599 CB VAL A 39 -1.194 7.794 -9.543 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.568 6.450 -9.874 1.00 0.00 C ATOM 601 CG2 VAL A 39 -0.651 8.882 -10.447 1.00 0.00 C ATOM 0 H VAL A 39 -2.915 9.690 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.013 7.228 -10.552 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.924 8.057 -8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.518 6.531 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.913 5.702 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.859 6.151 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.436 8.910 -10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.937 8.675 -11.478 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.061 9.845 -10.144 1.00 0.00 H new ATOM 611 N LEU A 40 -3.861 5.821 -8.697 1.00 0.00 N ATOM 612 CA LEU A 40 -4.403 4.988 -7.677 1.00 0.00 C ATOM 613 C LEU A 40 -3.582 3.741 -7.586 1.00 0.00 C ATOM 614 O LEU A 40 -3.096 3.217 -8.597 1.00 0.00 O ATOM 615 CB LEU A 40 -5.861 4.643 -7.968 1.00 0.00 C ATOM 616 CG LEU A 40 -6.813 5.829 -8.127 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.227 5.346 -8.341 1.00 0.00 C ATOM 618 CD2 LEU A 40 -6.742 6.743 -6.923 1.00 0.00 C ATOM 0 H LEU A 40 -4.013 5.475 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.374 5.521 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.898 4.049 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.232 4.011 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.504 6.398 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.891 6.203 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.270 4.734 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.542 4.752 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.428 7.579 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.021 6.188 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.726 7.122 -6.813 1.00 0.00 H new ATOM 630 N TYR A 41 -3.406 3.271 -6.411 1.00 0.00 N ATOM 631 CA TYR A 41 -2.605 2.127 -6.190 1.00 0.00 C ATOM 632 C TYR A 41 -3.478 0.969 -5.826 1.00 0.00 C ATOM 633 O TYR A 41 -4.463 1.119 -5.092 1.00 0.00 O ATOM 634 CB TYR A 41 -1.577 2.391 -5.082 1.00 0.00 C ATOM 635 CG TYR A 41 -0.567 3.478 -5.413 1.00 0.00 C ATOM 636 CD1 TYR A 41 -0.913 4.821 -5.379 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.727 3.157 -5.763 1.00 0.00 C ATOM 638 CE1 TYR A 41 -0.006 5.797 -5.688 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.647 4.137 -6.074 1.00 0.00 C ATOM 640 CZ TYR A 41 1.278 5.452 -6.036 1.00 0.00 C ATOM 641 OH TYR A 41 2.204 6.431 -6.356 1.00 0.00 O ATOM 0 H TYR A 41 -3.816 3.671 -5.567 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.062 1.893 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.106 2.668 -4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.041 1.465 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.919 5.101 -5.103 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.026 2.120 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.298 6.836 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.656 3.865 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 41 3.061 6.011 -6.577 1.00 0.00 H new ATOM 651 N LEU A 42 -3.132 -0.157 -6.353 1.00 0.00 N ATOM 652 CA LEU A 42 -3.796 -1.375 -6.077 1.00 0.00 C ATOM 653 C LEU A 42 -2.851 -2.147 -5.220 1.00 0.00 C ATOM 654 O LEU A 42 -1.788 -2.608 -5.682 1.00 0.00 O ATOM 655 CB LEU A 42 -4.090 -2.131 -7.377 1.00 0.00 C ATOM 656 CG LEU A 42 -4.810 -3.468 -7.231 1.00 0.00 C ATOM 657 CD1 LEU A 42 -6.160 -3.273 -6.576 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.969 -4.138 -8.582 1.00 0.00 C ATOM 0 H LEU A 42 -2.355 -0.252 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.755 -1.217 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.690 -1.487 -8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.146 -2.305 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.207 -4.115 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.660 -4.237 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.025 -2.834 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.769 -2.608 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.485 -5.090 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.551 -3.494 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.986 -4.312 -9.020 1.00 0.00 H new ATOM 670 N VAL A 43 -3.176 -2.226 -3.982 1.00 0.00 N ATOM 671 CA VAL A 43 -2.299 -2.778 -3.022 1.00 0.00 C ATOM 672 C VAL A 43 -3.008 -3.889 -2.262 1.00 0.00 C ATOM 673 O VAL A 43 -4.206 -3.807 -2.012 1.00 0.00 O ATOM 674 CB VAL A 43 -1.850 -1.648 -2.060 1.00 0.00 C ATOM 675 CG1 VAL A 43 -2.853 -1.250 -0.999 1.00 0.00 C ATOM 676 CG2 VAL A 43 -0.469 -1.834 -1.566 1.00 0.00 C ATOM 0 H VAL A 43 -4.068 -1.906 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.422 -3.206 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.822 -0.756 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.435 -0.453 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.767 -0.898 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.080 -2.112 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.208 -1.014 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.400 -2.778 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.221 -1.847 -2.410 1.00 0.00 H new ATOM 686 N HIS A 44 -2.306 -4.936 -1.953 1.00 0.00 N ATOM 687 CA HIS A 44 -2.878 -5.975 -1.125 1.00 0.00 C ATOM 688 C HIS A 44 -2.079 -6.106 0.121 1.00 0.00 C ATOM 689 O HIS A 44 -0.856 -5.906 0.106 1.00 0.00 O ATOM 690 CB HIS A 44 -3.092 -7.332 -1.836 1.00 0.00 C ATOM 691 CG HIS A 44 -1.897 -7.947 -2.484 1.00 0.00 C ATOM 692 ND1 HIS A 44 -1.797 -8.078 -3.830 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.778 -8.512 -1.967 1.00 0.00 C ATOM 694 CE1 HIS A 44 -0.679 -8.692 -4.138 1.00 0.00 C ATOM 695 NE2 HIS A 44 -0.038 -8.966 -3.022 1.00 0.00 N ATOM 0 H HIS A 44 -1.345 -5.101 -2.254 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.892 -5.660 -0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.485 -8.040 -1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.861 -7.199 -2.597 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.488 -7.748 -4.503 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.521 -8.589 -0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.343 -8.931 -5.136 1.00 0.00 H new ATOM 704 N TYR A 45 -2.744 -6.428 1.179 1.00 0.00 N ATOM 705 CA TYR A 45 -2.156 -6.453 2.489 1.00 0.00 C ATOM 706 C TYR A 45 -1.321 -7.713 2.677 1.00 0.00 C ATOM 707 O TYR A 45 -1.865 -8.793 2.824 1.00 0.00 O ATOM 708 CB TYR A 45 -3.274 -6.344 3.533 1.00 0.00 C ATOM 709 CG TYR A 45 -4.207 -5.175 3.266 1.00 0.00 C ATOM 710 CD1 TYR A 45 -3.723 -3.885 3.242 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.561 -5.370 3.015 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.547 -2.811 2.976 1.00 0.00 C ATOM 713 CE2 TYR A 45 -6.399 -4.296 2.753 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.881 -3.020 2.734 1.00 0.00 C ATOM 715 OH TYR A 45 -6.696 -1.949 2.468 1.00 0.00 O ATOM 0 H TYR A 45 -3.730 -6.687 1.164 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.480 -5.607 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.850 -7.270 3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.832 -6.233 4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.675 -3.711 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.966 -6.371 3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.143 -1.809 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.450 -4.459 2.565 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.612 -2.264 2.318 1.00 0.00 H new ATOM 725 N TYR A 46 0.000 -7.570 2.651 1.00 0.00 N ATOM 726 CA TYR A 46 0.898 -8.725 2.748 1.00 0.00 C ATOM 727 C TYR A 46 0.699 -9.450 4.074 1.00 0.00 C ATOM 728 O TYR A 46 0.614 -8.815 5.134 1.00 0.00 O ATOM 729 CB TYR A 46 2.386 -8.337 2.528 1.00 0.00 C ATOM 730 CG TYR A 46 3.025 -7.469 3.609 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.913 -6.088 3.587 1.00 0.00 C ATOM 732 CD2 TYR A 46 3.763 -8.045 4.638 1.00 0.00 C ATOM 733 CE1 TYR A 46 3.513 -5.307 4.555 1.00 0.00 C ATOM 734 CE2 TYR A 46 4.360 -7.273 5.610 1.00 0.00 C ATOM 735 CZ TYR A 46 4.234 -5.905 5.566 1.00 0.00 C ATOM 736 OH TYR A 46 4.840 -5.130 6.537 1.00 0.00 O ATOM 0 H TYR A 46 0.475 -6.672 2.564 1.00 0.00 H new ATOM 0 HA TYR A 46 0.636 -9.410 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.969 -9.254 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.466 -7.812 1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.347 -5.614 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.870 -9.119 4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.418 -4.232 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.925 -7.740 6.403 1.00 0.00 H new ATOM 0 HH TYR A 46 4.173 -4.858 7.202 1.00 0.00 H new ATOM 746 N GLY A 47 0.540 -10.760 3.998 1.00 0.00 N ATOM 747 CA GLY A 47 0.292 -11.583 5.176 1.00 0.00 C ATOM 748 C GLY A 47 -1.145 -11.474 5.699 1.00 0.00 C ATOM 749 O GLY A 47 -1.757 -12.470 6.109 1.00 0.00 O ATOM 0 H GLY A 47 0.578 -11.284 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.506 -12.624 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.983 -11.291 5.967 1.00 0.00 H new ATOM 753 N TRP A 48 -1.668 -10.276 5.680 1.00 0.00 N ATOM 754 CA TRP A 48 -2.984 -9.962 6.182 1.00 0.00 C ATOM 755 C TRP A 48 -4.052 -10.494 5.204 1.00 0.00 C ATOM 756 O TRP A 48 -4.819 -11.410 5.532 1.00 0.00 O ATOM 757 CB TRP A 48 -3.094 -8.443 6.319 1.00 0.00 C ATOM 758 CG TRP A 48 -3.986 -7.964 7.414 1.00 0.00 C ATOM 759 CD1 TRP A 48 -5.320 -8.196 7.567 1.00 0.00 C ATOM 760 CD2 TRP A 48 -3.597 -7.122 8.506 1.00 0.00 C ATOM 761 NE1 TRP A 48 -5.774 -7.576 8.701 1.00 0.00 N ATOM 762 CE2 TRP A 48 -4.735 -6.903 9.292 1.00 0.00 C ATOM 763 CE3 TRP A 48 -2.383 -6.539 8.895 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -4.702 -6.126 10.448 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -2.354 -5.768 10.037 1.00 0.00 C ATOM 766 CH2 TRP A 48 -3.506 -5.568 10.802 1.00 0.00 C ATOM 0 H TRP A 48 -1.176 -9.466 5.304 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.145 -10.431 7.153 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.096 -8.036 6.482 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.454 -8.035 5.375 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.929 -8.782 6.894 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.732 -7.609 9.050 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.487 -6.691 8.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.590 -5.970 11.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.425 -5.311 10.346 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.450 -4.959 11.692 1.00 0.00 H new ATOM 777 N ASN A 49 -4.057 -9.956 3.999 1.00 0.00 N ATOM 778 CA ASN A 49 -4.997 -10.340 2.948 1.00 0.00 C ATOM 779 C ASN A 49 -4.292 -10.259 1.618 1.00 0.00 C ATOM 780 O ASN A 49 -4.148 -9.172 1.046 1.00 0.00 O ATOM 781 CB ASN A 49 -6.243 -9.435 2.875 1.00 0.00 C ATOM 782 CG ASN A 49 -7.154 -9.475 4.081 1.00 0.00 C ATOM 783 OD1 ASN A 49 -7.028 -8.679 5.004 1.00 0.00 O ATOM 784 ND2 ASN A 49 -8.077 -10.390 4.080 1.00 0.00 N ATOM 0 H ASN A 49 -3.401 -9.229 3.713 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.335 -11.349 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.914 -8.407 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.822 -9.716 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.725 -10.462 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.153 -11.037 3.295 1.00 0.00 H new ATOM 791 N VAL A 50 -3.847 -11.377 1.122 1.00 0.00 N ATOM 792 CA VAL A 50 -3.066 -11.392 -0.102 1.00 0.00 C ATOM 793 C VAL A 50 -3.933 -11.314 -1.357 1.00 0.00 C ATOM 794 O VAL A 50 -3.483 -10.836 -2.381 1.00 0.00 O ATOM 795 CB VAL A 50 -2.090 -12.600 -0.183 1.00 0.00 C ATOM 796 CG1 VAL A 50 -1.094 -12.553 0.964 1.00 0.00 C ATOM 797 CG2 VAL A 50 -2.835 -13.931 -0.180 1.00 0.00 C ATOM 0 H VAL A 50 -4.006 -12.294 1.538 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.461 -10.486 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.552 -12.524 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.418 -13.405 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.520 -11.628 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.629 -12.592 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.118 -14.750 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.415 -14.021 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.505 -13.975 -1.038 1.00 0.00 H new ATOM 807 N ARG A 51 -5.175 -11.761 -1.264 1.00 0.00 N ATOM 808 CA ARG A 51 -6.070 -11.742 -2.421 1.00 0.00 C ATOM 809 C ARG A 51 -7.075 -10.581 -2.315 1.00 0.00 C ATOM 810 O ARG A 51 -7.962 -10.412 -3.151 1.00 0.00 O ATOM 811 CB ARG A 51 -6.764 -13.119 -2.578 1.00 0.00 C ATOM 812 CG ARG A 51 -7.730 -13.307 -3.780 1.00 0.00 C ATOM 813 CD ARG A 51 -7.077 -13.119 -5.174 1.00 0.00 C ATOM 814 NE ARG A 51 -6.812 -11.702 -5.539 1.00 0.00 N ATOM 815 CZ ARG A 51 -7.183 -11.111 -6.699 1.00 0.00 C ATOM 816 NH1 ARG A 51 -7.839 -11.798 -7.631 1.00 0.00 N ATOM 817 NH2 ARG A 51 -6.893 -9.836 -6.915 1.00 0.00 N ATOM 0 H ARG A 51 -5.588 -12.139 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.487 -11.567 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.987 -13.880 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.323 -13.319 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.162 -14.307 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.553 -12.599 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.137 -13.670 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.727 -13.561 -5.929 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.310 -11.129 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.067 -12.780 -7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.114 -11.343 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.390 -9.300 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.172 -9.390 -7.789 1.00 0.00 H new ATOM 831 N TYR A 52 -6.933 -9.781 -1.306 1.00 0.00 N ATOM 832 CA TYR A 52 -7.782 -8.632 -1.180 1.00 0.00 C ATOM 833 C TYR A 52 -6.993 -7.415 -1.580 1.00 0.00 C ATOM 834 O TYR A 52 -6.183 -6.896 -0.804 1.00 0.00 O ATOM 835 CB TYR A 52 -8.371 -8.483 0.229 1.00 0.00 C ATOM 836 CG TYR A 52 -9.307 -7.296 0.381 1.00 0.00 C ATOM 837 CD1 TYR A 52 -10.650 -7.383 0.033 1.00 0.00 C ATOM 838 CD2 TYR A 52 -8.837 -6.089 0.864 1.00 0.00 C ATOM 839 CE1 TYR A 52 -11.491 -6.290 0.169 1.00 0.00 C ATOM 840 CE2 TYR A 52 -9.663 -5.003 1.000 1.00 0.00 C ATOM 841 CZ TYR A 52 -10.984 -5.102 0.654 1.00 0.00 C ATOM 842 OH TYR A 52 -11.806 -4.003 0.796 1.00 0.00 O ATOM 0 H TYR A 52 -6.245 -9.897 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.640 -8.755 -1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -8.911 -9.395 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.555 -8.384 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.043 -8.314 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.797 -5.999 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.534 -6.367 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.272 -4.071 1.380 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.288 -3.185 0.646 1.00 0.00 H new ATOM 852 N ASP A 53 -7.169 -7.022 -2.804 1.00 0.00 N ATOM 853 CA ASP A 53 -6.496 -5.873 -3.341 1.00 0.00 C ATOM 854 C ASP A 53 -7.403 -4.664 -3.215 1.00 0.00 C ATOM 855 O ASP A 53 -8.601 -4.712 -3.579 1.00 0.00 O ATOM 856 CB ASP A 53 -6.092 -6.103 -4.800 1.00 0.00 C ATOM 857 CG ASP A 53 -5.122 -7.248 -4.992 1.00 0.00 C ATOM 858 OD1 ASP A 53 -5.575 -8.399 -5.155 1.00 0.00 O ATOM 859 OD2 ASP A 53 -3.895 -7.022 -5.003 1.00 0.00 O ATOM 0 H ASP A 53 -7.788 -7.491 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.581 -5.698 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.988 -6.296 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.644 -5.190 -5.191 1.00 0.00 H new ATOM 864 N GLU A 54 -6.866 -3.608 -2.701 1.00 0.00 N ATOM 865 CA GLU A 54 -7.615 -2.414 -2.415 1.00 0.00 C ATOM 866 C GLU A 54 -7.037 -1.237 -3.181 1.00 0.00 C ATOM 867 O GLU A 54 -5.851 -1.232 -3.532 1.00 0.00 O ATOM 868 CB GLU A 54 -7.588 -2.176 -0.892 1.00 0.00 C ATOM 869 CG GLU A 54 -8.415 -1.011 -0.387 1.00 0.00 C ATOM 870 CD GLU A 54 -9.871 -1.191 -0.658 1.00 0.00 C ATOM 871 OE1 GLU A 54 -10.325 -0.830 -1.765 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.596 -1.693 0.230 1.00 0.00 O ATOM 0 H GLU A 54 -5.877 -3.542 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.651 -2.526 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.934 -3.083 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.553 -2.021 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.259 -0.895 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.071 -0.092 -0.860 1.00 0.00 H new ATOM 879 N TRP A 55 -7.883 -0.267 -3.431 1.00 0.00 N ATOM 880 CA TRP A 55 -7.531 0.897 -4.191 1.00 0.00 C ATOM 881 C TRP A 55 -7.431 2.109 -3.316 1.00 0.00 C ATOM 882 O TRP A 55 -8.444 2.612 -2.776 1.00 0.00 O ATOM 883 CB TRP A 55 -8.542 1.142 -5.280 1.00 0.00 C ATOM 884 CG TRP A 55 -8.524 0.103 -6.343 1.00 0.00 C ATOM 885 CD1 TRP A 55 -9.170 -1.099 -6.328 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.793 0.164 -7.575 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.931 -1.766 -7.513 1.00 0.00 N ATOM 888 CE2 TRP A 55 -8.076 -1.009 -8.289 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.935 1.116 -8.146 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -7.532 -1.262 -9.549 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -6.388 0.866 -9.388 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.690 -0.315 -10.080 1.00 0.00 C ATOM 0 H TRP A 55 -8.849 -0.269 -3.105 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.555 0.713 -4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.538 1.184 -4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.352 2.116 -5.730 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.775 -1.471 -5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.323 -2.671 -7.773 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.706 2.032 -7.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.764 -2.169 -10.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.719 1.589 -9.832 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.251 -0.484 -11.052 1.00 0.00 H new ATOM 903 N VAL A 56 -6.233 2.564 -3.160 1.00 0.00 N ATOM 904 CA VAL A 56 -5.937 3.730 -2.378 1.00 0.00 C ATOM 905 C VAL A 56 -4.945 4.598 -3.138 1.00 0.00 C ATOM 906 O VAL A 56 -4.066 4.083 -3.817 1.00 0.00 O ATOM 907 CB VAL A 56 -5.377 3.361 -0.960 1.00 0.00 C ATOM 908 CG1 VAL A 56 -6.459 2.732 -0.094 1.00 0.00 C ATOM 909 CG2 VAL A 56 -4.200 2.402 -1.066 1.00 0.00 C ATOM 0 H VAL A 56 -5.411 2.130 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.863 4.281 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.039 4.288 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.045 2.485 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.283 3.436 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.826 1.824 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.833 2.164 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.521 1.486 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.402 2.868 -1.644 1.00 0.00 H new ATOM 919 N LYS A 57 -5.133 5.888 -3.098 1.00 0.00 N ATOM 920 CA LYS A 57 -4.227 6.795 -3.745 1.00 0.00 C ATOM 921 C LYS A 57 -3.000 7.018 -2.847 1.00 0.00 C ATOM 922 O LYS A 57 -3.027 6.652 -1.673 1.00 0.00 O ATOM 923 CB LYS A 57 -4.974 8.087 -4.064 1.00 0.00 C ATOM 924 CG LYS A 57 -4.201 9.121 -4.856 1.00 0.00 C ATOM 925 CD LYS A 57 -5.131 10.146 -5.452 1.00 0.00 C ATOM 926 CE LYS A 57 -5.925 10.896 -4.403 1.00 0.00 C ATOM 927 NZ LYS A 57 -6.923 11.779 -5.019 1.00 0.00 N ATOM 0 H LYS A 57 -5.913 6.338 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.860 6.385 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.877 7.834 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.293 8.541 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.476 9.614 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.637 8.631 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.552 10.857 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.819 9.651 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.423 10.185 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.248 11.485 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.462 12.266 -4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.443 12.483 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.572 11.215 -5.604 1.00 0.00 H new ATOM 941 N ALA A 58 -1.954 7.636 -3.390 1.00 0.00 N ATOM 942 CA ALA A 58 -0.674 7.820 -2.698 1.00 0.00 C ATOM 943 C ALA A 58 -0.819 8.553 -1.369 1.00 0.00 C ATOM 944 O ALA A 58 -0.070 8.307 -0.433 1.00 0.00 O ATOM 945 CB ALA A 58 0.294 8.579 -3.583 1.00 0.00 C ATOM 0 H ALA A 58 -1.968 8.028 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.291 6.822 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.241 8.710 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.463 8.018 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.124 9.556 -3.826 1.00 0.00 H new ATOM 951 N ASP A 59 -1.808 9.417 -1.291 1.00 0.00 N ATOM 952 CA ASP A 59 -2.027 10.252 -0.106 1.00 0.00 C ATOM 953 C ASP A 59 -2.705 9.451 1.007 1.00 0.00 C ATOM 954 O ASP A 59 -2.654 9.817 2.182 1.00 0.00 O ATOM 955 CB ASP A 59 -2.899 11.466 -0.460 1.00 0.00 C ATOM 956 CG ASP A 59 -4.370 11.134 -0.627 1.00 0.00 C ATOM 957 OD1 ASP A 59 -4.712 10.292 -1.470 1.00 0.00 O ATOM 958 OD2 ASP A 59 -5.199 11.708 0.111 1.00 0.00 O ATOM 0 H ASP A 59 -2.486 9.568 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.054 10.594 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.792 12.219 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.529 11.911 -1.384 1.00 0.00 H new ATOM 963 N ARG A 60 -3.315 8.359 0.621 1.00 0.00 N ATOM 964 CA ARG A 60 -4.048 7.471 1.519 1.00 0.00 C ATOM 965 C ARG A 60 -3.086 6.379 2.014 1.00 0.00 C ATOM 966 O ARG A 60 -3.411 5.550 2.881 1.00 0.00 O ATOM 967 CB ARG A 60 -5.203 6.861 0.712 1.00 0.00 C ATOM 968 CG ARG A 60 -6.178 5.990 1.476 1.00 0.00 C ATOM 969 CD ARG A 60 -7.045 6.788 2.428 1.00 0.00 C ATOM 970 NE ARG A 60 -8.058 5.916 3.033 1.00 0.00 N ATOM 971 CZ ARG A 60 -9.380 6.102 2.949 1.00 0.00 C ATOM 972 NH1 ARG A 60 -9.861 7.267 2.555 1.00 0.00 N ATOM 973 NH2 ARG A 60 -10.225 5.131 3.302 1.00 0.00 N ATOM 0 H ARG A 60 -3.322 8.045 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.445 8.000 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.763 7.674 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.777 6.267 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.815 5.457 0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.625 5.237 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.428 7.237 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.529 7.606 1.894 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.729 5.106 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.224 8.027 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.869 7.407 2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.864 4.238 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.232 5.282 3.235 1.00 0.00 H new ATOM 987 N ILE A 61 -1.906 6.416 1.461 1.00 0.00 N ATOM 988 CA ILE A 61 -0.860 5.501 1.767 1.00 0.00 C ATOM 989 C ILE A 61 0.199 6.252 2.555 1.00 0.00 C ATOM 990 O ILE A 61 0.323 7.469 2.423 1.00 0.00 O ATOM 991 CB ILE A 61 -0.226 4.945 0.439 1.00 0.00 C ATOM 992 CG1 ILE A 61 -1.275 4.206 -0.389 1.00 0.00 C ATOM 993 CG2 ILE A 61 0.964 4.037 0.701 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.731 3.574 -1.655 1.00 0.00 C ATOM 0 H ILE A 61 -1.644 7.111 0.762 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.250 4.663 2.345 1.00 0.00 H new ATOM 0 HB ILE A 61 0.137 5.806 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.727 3.429 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.069 4.903 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.365 3.680 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.735 4.593 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.647 3.186 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.538 3.069 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.305 4.348 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.042 2.850 -1.397 1.00 0.00 H new ATOM 1006 N ILE A 62 0.898 5.564 3.400 1.00 0.00 N ATOM 1007 CA ILE A 62 2.027 6.117 4.074 1.00 0.00 C ATOM 1008 C ILE A 62 3.227 5.431 3.447 1.00 0.00 C ATOM 1009 O ILE A 62 3.341 4.205 3.527 1.00 0.00 O ATOM 1010 CB ILE A 62 2.058 5.841 5.626 1.00 0.00 C ATOM 1011 CG1 ILE A 62 0.766 6.264 6.363 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.256 6.519 6.263 1.00 0.00 C ATOM 1013 CD1 ILE A 62 -0.385 5.270 6.297 1.00 0.00 C ATOM 0 H ILE A 62 0.699 4.594 3.643 1.00 0.00 H new ATOM 0 HA ILE A 62 2.007 7.202 3.968 1.00 0.00 H new ATOM 0 HB ILE A 62 2.137 4.759 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.009 6.442 7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.427 7.213 5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.261 6.318 7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.172 6.133 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.197 7.595 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.240 5.666 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.666 5.107 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.075 4.324 6.742 1.00 0.00 H new ATOM 1025 N TRP A 63 4.059 6.185 2.773 1.00 0.00 N ATOM 1026 CA TRP A 63 5.222 5.620 2.104 1.00 0.00 C ATOM 1027 C TRP A 63 6.366 5.405 3.086 1.00 0.00 C ATOM 1028 O TRP A 63 6.937 6.374 3.593 1.00 0.00 O ATOM 1029 CB TRP A 63 5.625 6.494 0.912 1.00 0.00 C ATOM 1030 CG TRP A 63 4.579 6.436 -0.154 1.00 0.00 C ATOM 1031 CD1 TRP A 63 3.524 7.280 -0.327 1.00 0.00 C ATOM 1032 CD2 TRP A 63 4.465 5.437 -1.167 1.00 0.00 C ATOM 1033 NE1 TRP A 63 2.753 6.859 -1.377 1.00 0.00 N ATOM 1034 CE2 TRP A 63 3.317 5.729 -1.915 1.00 0.00 C ATOM 1035 CE3 TRP A 63 5.231 4.321 -1.510 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 2.911 4.939 -2.985 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 4.831 3.542 -2.573 1.00 0.00 C ATOM 1038 CH2 TRP A 63 3.684 3.848 -3.298 1.00 0.00 C ATOM 0 H TRP A 63 3.959 7.195 2.668 1.00 0.00 H new ATOM 0 HA TRP A 63 4.963 4.637 1.711 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.763 7.525 1.239 1.00 0.00 H new ATOM 0 HB3 TRP A 63 6.581 6.156 0.511 1.00 0.00 H new ATOM 0 HD1 TRP A 63 3.325 8.154 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.900 7.311 -1.706 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.122 4.073 -0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.021 5.175 -3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.418 2.678 -2.848 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.396 3.215 -4.124 1.00 0.00 H new ATOM 1049 N PRO A 64 6.688 4.138 3.429 1.00 0.00 N ATOM 1050 CA PRO A 64 7.691 3.840 4.420 1.00 0.00 C ATOM 1051 C PRO A 64 9.098 3.928 3.905 1.00 0.00 C ATOM 1052 O PRO A 64 9.498 3.204 2.975 1.00 0.00 O ATOM 1053 CB PRO A 64 7.388 2.391 4.844 1.00 0.00 C ATOM 1054 CG PRO A 64 6.126 2.044 4.148 1.00 0.00 C ATOM 1055 CD PRO A 64 6.100 2.896 2.917 1.00 0.00 C ATOM 0 HA PRO A 64 7.643 4.566 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.196 1.718 4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.277 2.311 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.097 0.985 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.261 2.243 4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.686 2.466 2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.089 3.043 2.538 1.00 0.00 H new ATOM 1063 N LEU A 65 9.836 4.808 4.508 1.00 0.00 N ATOM 1064 CA LEU A 65 11.232 4.929 4.297 1.00 0.00 C ATOM 1065 C LEU A 65 11.846 5.601 5.488 1.00 0.00 C ATOM 1066 O LEU A 65 11.990 6.833 5.538 1.00 0.00 O ATOM 1067 CB LEU A 65 11.597 5.618 2.983 1.00 0.00 C ATOM 1068 CG LEU A 65 13.093 5.707 2.707 1.00 0.00 C ATOM 1069 CD1 LEU A 65 13.731 4.338 2.912 1.00 0.00 C ATOM 1070 CD2 LEU A 65 13.331 6.202 1.295 1.00 0.00 C ATOM 0 H LEU A 65 9.465 5.479 5.180 1.00 0.00 H new ATOM 0 HA LEU A 65 11.647 3.926 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.121 5.082 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.181 6.626 2.989 1.00 0.00 H new ATOM 0 HG LEU A 65 13.549 6.415 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.801 4.402 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.571 4.012 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.278 3.620 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.403 6.263 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.876 5.511 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.885 7.190 1.176 1.00 0.00 H new ATOM 1082 N ASP A 66 12.149 4.768 6.460 1.00 0.00 N ATOM 1083 CA ASP A 66 12.665 5.156 7.751 1.00 0.00 C ATOM 1084 C ASP A 66 11.712 6.095 8.437 1.00 0.00 C ATOM 1085 O ASP A 66 11.912 7.306 8.490 1.00 0.00 O ATOM 1086 CB ASP A 66 14.093 5.710 7.712 1.00 0.00 C ATOM 1087 CG ASP A 66 14.648 5.909 9.106 1.00 0.00 C ATOM 1088 OD1 ASP A 66 14.734 4.930 9.851 1.00 0.00 O ATOM 1089 OD2 ASP A 66 14.992 7.051 9.490 1.00 0.00 O ATOM 0 H ASP A 66 12.037 3.759 6.366 1.00 0.00 H new ATOM 0 HA ASP A 66 12.741 4.243 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.735 5.025 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.102 6.659 7.177 1.00 0.00 H new ATOM 1094 N LYS A 67 10.621 5.528 8.852 1.00 0.00 N ATOM 1095 CA LYS A 67 9.578 6.264 9.540 1.00 0.00 C ATOM 1096 C LYS A 67 9.982 6.511 10.993 1.00 0.00 C ATOM 1097 O LYS A 67 9.638 7.530 11.579 1.00 0.00 O ATOM 1098 CB LYS A 67 8.236 5.504 9.449 1.00 0.00 C ATOM 1099 CG LYS A 67 7.064 6.143 10.212 1.00 0.00 C ATOM 1100 CD LYS A 67 6.683 7.532 9.700 1.00 0.00 C ATOM 1101 CE LYS A 67 6.175 7.500 8.270 1.00 0.00 C ATOM 1102 NZ LYS A 67 5.698 8.824 7.834 1.00 0.00 N ATOM 0 H LYS A 67 10.418 4.536 8.727 1.00 0.00 H new ATOM 0 HA LYS A 67 9.445 7.232 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.958 5.415 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.384 4.492 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.195 5.488 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.325 6.213 11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.915 7.957 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.550 8.189 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.973 7.164 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.365 6.775 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.358 8.765 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.920 9.133 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.478 9.510 7.890 1.00 0.00 H new ATOM 1116 N GLY A 68 10.728 5.589 11.546 1.00 0.00 N ATOM 1117 CA GLY A 68 11.178 5.726 12.907 1.00 0.00 C ATOM 1118 C GLY A 68 10.450 4.796 13.845 1.00 0.00 C ATOM 1119 O GLY A 68 10.405 5.027 15.067 1.00 0.00 O ATOM 0 H GLY A 68 11.036 4.738 11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.248 5.524 12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.033 6.756 13.234 1.00 0.00 H new ATOM 1123 N LEU A 69 9.840 3.776 13.292 1.00 0.00 N ATOM 1124 CA LEU A 69 9.158 2.785 14.087 1.00 0.00 C ATOM 1125 C LEU A 69 9.680 1.411 13.774 1.00 0.00 C ATOM 1126 O LEU A 69 9.332 0.815 12.751 1.00 0.00 O ATOM 1127 CB LEU A 69 7.618 2.790 13.928 1.00 0.00 C ATOM 1128 CG LEU A 69 6.809 3.964 14.531 1.00 0.00 C ATOM 1129 CD1 LEU A 69 7.023 5.262 13.777 1.00 0.00 C ATOM 1130 CD2 LEU A 69 5.329 3.615 14.574 1.00 0.00 C ATOM 0 H LEU A 69 9.802 3.610 12.286 1.00 0.00 H new ATOM 0 HA LEU A 69 9.367 3.054 15.122 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.396 2.750 12.862 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.238 1.868 14.367 1.00 0.00 H new ATOM 0 HG LEU A 69 7.175 4.120 15.546 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.433 6.053 14.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.079 5.531 13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.711 5.136 12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.771 4.449 15.000 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.972 3.418 13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.182 2.728 15.190 1.00 0.00 H new ATOM 1142 N GLU A 70 10.556 0.935 14.598 1.00 0.00 N ATOM 1143 CA GLU A 70 11.035 -0.415 14.479 1.00 0.00 C ATOM 1144 C GLU A 70 10.135 -1.276 15.341 1.00 0.00 C ATOM 1145 O GLU A 70 9.838 -2.430 15.023 1.00 0.00 O ATOM 1146 CB GLU A 70 12.509 -0.518 14.881 1.00 0.00 C ATOM 1147 CG GLU A 70 13.134 -1.874 14.590 1.00 0.00 C ATOM 1148 CD GLU A 70 12.918 -2.321 13.153 1.00 0.00 C ATOM 1149 OE1 GLU A 70 13.302 -1.594 12.213 1.00 0.00 O ATOM 1150 OE2 GLU A 70 12.321 -3.403 12.934 1.00 0.00 O ATOM 0 H GLU A 70 10.962 1.463 15.371 1.00 0.00 H new ATOM 0 HA GLU A 70 10.995 -0.758 13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.074 0.252 14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.600 -0.308 15.947 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.203 -1.829 14.796 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.711 -2.617 15.265 1.00 0.00 H new ATOM 1157 N HIS A 71 9.671 -0.672 16.421 1.00 0.00 N ATOM 1158 CA HIS A 71 8.646 -1.252 17.244 1.00 0.00 C ATOM 1159 C HIS A 71 7.353 -0.760 16.641 1.00 0.00 C ATOM 1160 O HIS A 71 6.850 0.308 16.988 1.00 0.00 O ATOM 1161 CB HIS A 71 8.774 -0.825 18.721 1.00 0.00 C ATOM 1162 CG HIS A 71 10.061 -1.251 19.375 1.00 0.00 C ATOM 1163 ND1 HIS A 71 10.173 -2.368 20.162 1.00 0.00 N ATOM 1164 CD2 HIS A 71 11.295 -0.690 19.359 1.00 0.00 C ATOM 1165 CE1 HIS A 71 11.406 -2.476 20.596 1.00 0.00 C ATOM 1166 NE2 HIS A 71 12.105 -1.473 20.126 1.00 0.00 N ATOM 0 H HIS A 71 10.001 0.237 16.745 1.00 0.00 H new ATOM 0 HA HIS A 71 8.711 -2.340 17.260 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.689 0.260 18.783 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.938 -1.243 19.282 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.583 0.210 18.836 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.782 -3.261 21.235 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.095 -1.305 20.305 1.00 0.00 H new ATOM 1175 N HIS A 72 6.900 -1.518 15.670 1.00 0.00 N ATOM 1176 CA HIS A 72 5.820 -1.169 14.754 1.00 0.00 C ATOM 1177 C HIS A 72 4.565 -0.602 15.384 1.00 0.00 C ATOM 1178 O HIS A 72 4.056 0.408 14.916 1.00 0.00 O ATOM 1179 CB HIS A 72 5.474 -2.346 13.871 1.00 0.00 C ATOM 1180 CG HIS A 72 5.730 -2.099 12.425 1.00 0.00 C ATOM 1181 ND1 HIS A 72 6.899 -2.430 11.787 1.00 0.00 N ATOM 1182 CD2 HIS A 72 4.946 -1.562 11.490 1.00 0.00 C ATOM 1183 CE1 HIS A 72 6.810 -2.106 10.522 1.00 0.00 C ATOM 1184 NE2 HIS A 72 5.633 -1.576 10.315 1.00 0.00 N ATOM 0 H HIS A 72 7.289 -2.442 15.482 1.00 0.00 H new ATOM 0 HA HIS A 72 6.226 -0.346 14.166 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.052 -3.213 14.191 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.422 -2.596 14.008 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.945 -1.184 11.638 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.578 -2.252 9.777 1.00 0.00 H new ATOM 0 HE2 HIS A 72 5.287 -1.230 9.420 1.00 0.00 H new ATOM 1193 N HIS A 73 4.062 -1.227 16.410 1.00 0.00 N ATOM 1194 CA HIS A 73 2.817 -0.771 16.998 1.00 0.00 C ATOM 1195 C HIS A 73 3.003 0.429 17.899 1.00 0.00 C ATOM 1196 O HIS A 73 2.123 1.284 17.967 1.00 0.00 O ATOM 1197 CB HIS A 73 2.063 -1.894 17.717 1.00 0.00 C ATOM 1198 CG HIS A 73 1.396 -2.876 16.796 1.00 0.00 C ATOM 1199 ND1 HIS A 73 0.037 -2.943 16.646 1.00 0.00 N ATOM 1200 CD2 HIS A 73 1.902 -3.837 15.989 1.00 0.00 C ATOM 1201 CE1 HIS A 73 -0.271 -3.894 15.794 1.00 0.00 C ATOM 1202 NE2 HIS A 73 0.838 -4.454 15.377 1.00 0.00 N ATOM 0 H HIS A 73 4.481 -2.042 16.857 1.00 0.00 H new ATOM 0 HA HIS A 73 2.197 -0.449 16.161 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.761 -2.431 18.359 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.308 -1.451 18.367 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.947 -4.074 15.852 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.270 -4.168 15.489 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.901 -5.222 14.708 1.00 0.00 H new ATOM 1211 N HIS A 74 4.154 0.490 18.596 1.00 0.00 N ATOM 1212 CA HIS A 74 4.484 1.596 19.534 1.00 0.00 C ATOM 1213 C HIS A 74 3.438 1.610 20.680 1.00 0.00 C ATOM 1214 O HIS A 74 3.212 2.613 21.360 1.00 0.00 O ATOM 1215 CB HIS A 74 4.528 2.954 18.766 1.00 0.00 C ATOM 1216 CG HIS A 74 5.097 4.123 19.533 1.00 0.00 C ATOM 1217 ND1 HIS A 74 4.327 5.140 20.042 1.00 0.00 N ATOM 1218 CD2 HIS A 74 6.375 4.448 19.825 1.00 0.00 C ATOM 1219 CE1 HIS A 74 5.099 6.031 20.602 1.00 0.00 C ATOM 1220 NE2 HIS A 74 6.349 5.643 20.490 1.00 0.00 N ATOM 0 H HIS A 74 4.883 -0.220 18.530 1.00 0.00 H new ATOM 0 HA HIS A 74 5.471 1.442 19.971 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.116 2.818 17.858 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.515 3.207 18.454 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.254 3.871 19.579 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.764 6.940 21.080 1.00 0.00 H new ATOM 0 HE2 HIS A 74 7.163 6.148 20.840 1.00 0.00 H new ATOM 1229 N HIS A 75 2.865 0.459 20.905 1.00 0.00 N ATOM 1230 CA HIS A 75 1.817 0.256 21.873 1.00 0.00 C ATOM 1231 C HIS A 75 2.192 -0.945 22.728 1.00 0.00 C ATOM 1232 O HIS A 75 2.517 -2.006 22.196 1.00 0.00 O ATOM 1233 CB HIS A 75 0.486 0.011 21.122 1.00 0.00 C ATOM 1234 CG HIS A 75 -0.711 -0.250 21.994 1.00 0.00 C ATOM 1235 ND1 HIS A 75 -1.313 -1.481 22.086 1.00 0.00 N ATOM 1236 CD2 HIS A 75 -1.425 0.572 22.786 1.00 0.00 C ATOM 1237 CE1 HIS A 75 -2.341 -1.406 22.897 1.00 0.00 C ATOM 1238 NE2 HIS A 75 -2.430 -0.174 23.335 1.00 0.00 N ATOM 0 H HIS A 75 3.122 -0.392 20.404 1.00 0.00 H new ATOM 0 HA HIS A 75 1.694 1.128 22.516 1.00 0.00 H new ATOM 0 HB2 HIS A 75 0.276 0.879 20.498 1.00 0.00 H new ATOM 0 HB3 HIS A 75 0.618 -0.839 20.452 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.239 1.622 22.955 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.001 -2.220 23.159 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.137 0.173 23.983 1.00 0.00 H new ATOM 1247 N HIS A 76 2.194 -0.771 24.023 1.00 0.00 N ATOM 1248 CA HIS A 76 2.570 -1.827 24.951 1.00 0.00 C ATOM 1249 C HIS A 76 1.696 -1.737 26.163 1.00 0.00 C ATOM 1250 O HIS A 76 1.993 -0.924 27.047 1.00 0.00 O ATOM 1251 CB HIS A 76 4.048 -1.720 25.387 1.00 0.00 C ATOM 1252 CG HIS A 76 5.043 -1.941 24.297 1.00 0.00 C ATOM 1253 ND1 HIS A 76 5.651 -0.916 23.618 1.00 0.00 N ATOM 1254 CD2 HIS A 76 5.544 -3.076 23.775 1.00 0.00 C ATOM 1255 CE1 HIS A 76 6.474 -1.403 22.728 1.00 0.00 C ATOM 1256 NE2 HIS A 76 6.433 -2.712 22.798 1.00 0.00 N ATOM 1257 OXT HIS A 76 0.687 -2.458 26.241 1.00 0.00 O ATOM 0 H HIS A 76 1.936 0.106 24.474 1.00 0.00 H new ATOM 0 HA HIS A 76 2.442 -2.783 24.443 1.00 0.00 H new ATOM 0 HB2 HIS A 76 4.214 -0.732 25.816 1.00 0.00 H new ATOM 0 HB3 HIS A 76 4.231 -2.446 26.179 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.293 -4.084 24.071 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.085 -0.826 22.050 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.975 -3.354 22.220 1.00 0.00 H new TER 1266 HIS A 76