USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 50 MET CE :methyl -179:sc= -0.0153 (180deg=-0.017) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 101 HEC O2D : rot 179:sc=-0.00917 USER MOD Set 2.1: A 46 TYR OH : rot -17:sc= 0.596 USER MOD Set 2.2: A 101 HEC O2A : rot -130:sc= 0.534 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.083) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 31 ASN : amide:sc= 0.14 K(o=0.14,f=-1.3) USER MOD Single : A 37 THR OG1 : rot -25:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -160:sc=-0.00936 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=-0.14) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.767 K(o=0.77,f=-6.3!) USER MOD Single : A 67 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 68 ASN : amide:sc= 0.12 K(o=0.12,f=-2.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -156:sc= 0.0501 (180deg=0.00416) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.997 K(o=1,f=-5.3!) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.402 K(o=0.4,f=-1.8!) USER MOD Single : A 100 GLN : amide:sc= 0.996 K(o=1,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.331 0.664 -1.471 1.00 0.00 N ATOM 2 CA MET A 1 4.865 -0.714 -1.779 1.00 0.00 C ATOM 3 C MET A 1 3.300 -0.820 -1.726 1.00 0.00 C ATOM 4 O MET A 1 2.734 -1.471 -0.839 1.00 0.00 O ATOM 5 CB MET A 1 5.625 -1.655 -0.801 1.00 0.00 C ATOM 6 CG MET A 1 5.516 -3.156 -1.129 1.00 0.00 C ATOM 7 SD MET A 1 6.693 -3.614 -2.415 1.00 0.00 S ATOM 8 CE MET A 1 6.225 -5.340 -2.631 1.00 0.00 C ATOM 0 H1 MET A 1 6.370 0.697 -1.515 1.00 0.00 H new ATOM 0 H2 MET A 1 4.934 1.328 -2.166 1.00 0.00 H new ATOM 0 H3 MET A 1 5.016 0.932 -0.517 1.00 0.00 H new ATOM 0 HA MET A 1 5.095 -1.013 -2.802 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.678 -1.375 -0.795 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.246 -1.490 0.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.704 -3.744 -0.231 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.503 -3.389 -1.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.853 -5.794 -3.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.358 -5.874 -1.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.180 -5.398 -2.937 1.00 0.00 H new ATOM 19 N ALA A 2 2.594 -0.168 -2.672 1.00 0.00 N ATOM 20 CA ALA A 2 1.121 0.034 -2.581 1.00 0.00 C ATOM 21 C ALA A 2 0.448 -0.012 -3.992 1.00 0.00 C ATOM 22 O ALA A 2 0.500 0.954 -4.760 1.00 0.00 O ATOM 23 CB ALA A 2 0.906 1.373 -1.843 1.00 0.00 C ATOM 0 H ALA A 2 3.015 0.231 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 2 0.640 -0.771 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.162 1.569 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.353 1.317 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.375 2.179 -2.407 1.00 0.00 H new ATOM 29 N ASP A 3 -0.178 -1.151 -4.334 1.00 0.00 N ATOM 30 CA ASP A 3 -0.774 -1.397 -5.675 1.00 0.00 C ATOM 31 C ASP A 3 -2.341 -1.230 -5.661 1.00 0.00 C ATOM 32 O ASP A 3 -3.007 -2.035 -4.998 1.00 0.00 O ATOM 33 CB ASP A 3 -0.310 -2.816 -6.101 1.00 0.00 C ATOM 34 CG ASP A 3 -0.700 -3.209 -7.525 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.800 -3.659 -7.830 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.301 -2.983 -8.420 1.00 0.00 O ATOM 0 H ASP A 3 -0.290 -1.935 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.436 -0.660 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.774 -2.874 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.730 -3.545 -5.408 1.00 0.00 H new ATOM 41 N PRO A 4 -2.983 -0.276 -6.405 1.00 0.00 N ATOM 42 CA PRO A 4 -4.468 -0.149 -6.433 1.00 0.00 C ATOM 43 C PRO A 4 -5.301 -1.232 -7.197 1.00 0.00 C ATOM 44 O PRO A 4 -6.462 -1.438 -6.840 1.00 0.00 O ATOM 45 CB PRO A 4 -4.675 1.279 -6.965 1.00 0.00 C ATOM 46 CG PRO A 4 -3.401 1.687 -7.694 1.00 0.00 C ATOM 47 CD PRO A 4 -2.286 0.775 -7.173 1.00 0.00 C ATOM 0 HA PRO A 4 -4.870 -0.334 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.531 1.316 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.884 1.967 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.519 1.577 -8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.165 2.734 -7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.709 0.348 -7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.586 1.326 -6.544 1.00 0.00 H new ATOM 55 N ALA A 5 -4.739 -1.950 -8.188 1.00 0.00 N ATOM 56 CA ALA A 5 -5.370 -3.178 -8.756 1.00 0.00 C ATOM 57 C ALA A 5 -5.515 -4.376 -7.754 1.00 0.00 C ATOM 58 O ALA A 5 -6.615 -4.919 -7.611 1.00 0.00 O ATOM 59 CB ALA A 5 -4.593 -3.548 -10.033 1.00 0.00 C ATOM 0 H ALA A 5 -3.847 -1.708 -8.619 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.410 -2.952 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.028 -4.444 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.651 -2.725 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.549 -3.737 -9.782 1.00 0.00 H new ATOM 65 N ALA A 6 -4.453 -4.727 -6.997 1.00 0.00 N ATOM 66 CA ALA A 6 -4.589 -5.531 -5.749 1.00 0.00 C ATOM 67 C ALA A 6 -5.515 -4.926 -4.636 1.00 0.00 C ATOM 68 O ALA A 6 -6.326 -5.654 -4.060 1.00 0.00 O ATOM 69 CB ALA A 6 -3.162 -5.805 -5.239 1.00 0.00 C ATOM 0 H ALA A 6 -3.492 -4.470 -7.222 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.116 -6.452 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.210 -6.393 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.605 -6.357 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.660 -4.859 -5.037 1.00 0.00 H new ATOM 75 N GLY A 7 -5.450 -3.603 -4.383 1.00 0.00 N ATOM 76 CA GLY A 7 -6.456 -2.874 -3.564 1.00 0.00 C ATOM 77 C GLY A 7 -7.953 -2.979 -3.925 1.00 0.00 C ATOM 78 O GLY A 7 -8.769 -3.127 -3.018 1.00 0.00 O ATOM 0 H GLY A 7 -4.703 -3.006 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.344 -3.212 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.189 -1.817 -3.584 1.00 0.00 H new ATOM 82 N GLU A 8 -8.314 -2.948 -5.219 1.00 0.00 N ATOM 83 CA GLU A 8 -9.676 -3.334 -5.698 1.00 0.00 C ATOM 84 C GLU A 8 -10.150 -4.774 -5.307 1.00 0.00 C ATOM 85 O GLU A 8 -11.314 -4.940 -4.934 1.00 0.00 O ATOM 86 CB GLU A 8 -9.736 -3.107 -7.234 1.00 0.00 C ATOM 87 CG GLU A 8 -11.160 -3.054 -7.856 1.00 0.00 C ATOM 88 CD GLU A 8 -11.732 -4.371 -8.391 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.287 -5.152 -7.415 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.711 -4.669 -9.582 1.00 0.00 O ATOM 0 H GLU A 8 -7.684 -2.659 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.386 -2.692 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.225 -2.172 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.176 -3.905 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.846 -2.668 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.147 -2.333 -8.673 1.00 0.00 H new ATOM 97 N LYS A 9 -9.276 -5.791 -5.410 1.00 0.00 N ATOM 98 CA LYS A 9 -9.527 -7.155 -4.858 1.00 0.00 C ATOM 99 C LYS A 9 -9.681 -7.211 -3.296 1.00 0.00 C ATOM 100 O LYS A 9 -10.647 -7.803 -2.808 1.00 0.00 O ATOM 101 CB LYS A 9 -8.426 -8.129 -5.365 1.00 0.00 C ATOM 102 CG LYS A 9 -8.297 -8.266 -6.905 1.00 0.00 C ATOM 103 CD LYS A 9 -7.376 -9.410 -7.377 1.00 0.00 C ATOM 104 CE LYS A 9 -5.879 -9.141 -7.149 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.079 -10.266 -7.670 1.00 0.00 N ATOM 0 H LYS A 9 -8.373 -5.701 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.501 -7.470 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.466 -7.799 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.622 -9.117 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.290 -8.420 -7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.922 -7.326 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.654 -10.326 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.546 -9.585 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.588 -8.216 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.683 -9.007 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.069 -10.076 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.348 -11.141 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.255 -10.375 -8.689 1.00 0.00 H new ATOM 118 N VAL A 10 -8.795 -6.552 -2.516 1.00 0.00 N ATOM 119 CA VAL A 10 -8.989 -6.331 -1.040 1.00 0.00 C ATOM 120 C VAL A 10 -10.306 -5.540 -0.681 1.00 0.00 C ATOM 121 O VAL A 10 -11.018 -5.939 0.246 1.00 0.00 O ATOM 122 CB VAL A 10 -7.706 -5.701 -0.382 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.786 -5.607 1.163 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.386 -6.454 -0.675 1.00 0.00 C ATOM 0 H VAL A 10 -7.927 -6.156 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.132 -7.319 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.689 -4.715 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.868 -5.163 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.636 -4.986 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.910 -6.605 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.559 -5.945 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.459 -7.475 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.209 -6.473 -1.750 1.00 0.00 H new ATOM 134 N PHE A 11 -10.668 -4.475 -1.430 1.00 0.00 N ATOM 135 CA PHE A 11 -12.009 -3.821 -1.350 1.00 0.00 C ATOM 136 C PHE A 11 -13.274 -4.731 -1.593 1.00 0.00 C ATOM 137 O PHE A 11 -14.359 -4.371 -1.130 1.00 0.00 O ATOM 138 CB PHE A 11 -11.973 -2.568 -2.277 1.00 0.00 C ATOM 139 CG PHE A 11 -13.028 -1.495 -1.953 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.318 -1.585 -2.486 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.718 -0.441 -1.086 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.300 -0.674 -2.110 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.694 0.490 -0.739 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.989 0.361 -1.234 1.00 0.00 C ATOM 0 H PHE A 11 -10.045 -4.039 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.163 -3.547 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.983 -2.115 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.110 -2.892 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.553 -2.366 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.719 -0.349 -0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.303 -0.770 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.446 1.313 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.753 1.065 -0.938 1.00 0.00 H new ATOM 154 N GLY A 12 -13.152 -5.929 -2.203 1.00 0.00 N ATOM 155 CA GLY A 12 -14.150 -7.028 -2.042 1.00 0.00 C ATOM 156 C GLY A 12 -14.688 -7.367 -0.621 1.00 0.00 C ATOM 157 O GLY A 12 -15.882 -7.628 -0.466 1.00 0.00 O ATOM 0 H GLY A 12 -12.372 -6.168 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.009 -6.785 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.706 -7.936 -2.449 1.00 0.00 H new ATOM 161 N LYS A 13 -13.828 -7.307 0.409 1.00 0.00 N ATOM 162 CA LYS A 13 -14.260 -7.317 1.842 1.00 0.00 C ATOM 163 C LYS A 13 -15.003 -6.040 2.379 1.00 0.00 C ATOM 164 O LYS A 13 -15.742 -6.141 3.360 1.00 0.00 O ATOM 165 CB LYS A 13 -13.005 -7.646 2.704 1.00 0.00 C ATOM 166 CG LYS A 13 -12.492 -9.105 2.578 1.00 0.00 C ATOM 167 CD LYS A 13 -11.079 -9.351 3.148 1.00 0.00 C ATOM 168 CE LYS A 13 -9.956 -8.801 2.249 1.00 0.00 C ATOM 169 NZ LYS A 13 -8.638 -9.233 2.752 1.00 0.00 N ATOM 0 H LYS A 13 -12.817 -7.250 0.288 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.037 -8.077 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.200 -6.967 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.238 -7.447 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.193 -9.766 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.497 -9.386 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.006 -8.889 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.932 -10.422 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.095 -9.152 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.003 -7.712 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.987 -8.422 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.740 -9.606 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.257 -9.976 2.133 1.00 0.00 H new ATOM 182 N CYS A 14 -14.815 -4.864 1.761 1.00 0.00 N ATOM 183 CA CYS A 14 -15.535 -3.607 2.117 1.00 0.00 C ATOM 184 C CYS A 14 -16.875 -3.348 1.341 1.00 0.00 C ATOM 185 O CYS A 14 -17.834 -2.849 1.940 1.00 0.00 O ATOM 186 CB CYS A 14 -14.558 -2.421 1.926 1.00 0.00 C ATOM 187 SG CYS A 14 -12.838 -2.789 2.382 1.00 0.00 S ATOM 0 H CYS A 14 -14.156 -4.746 0.992 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.850 -3.714 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.586 -2.107 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.907 -1.578 2.522 1.00 0.00 H new ATOM 192 N LYS A 15 -16.939 -3.655 0.025 1.00 0.00 N ATOM 193 CA LYS A 15 -18.086 -3.307 -0.869 1.00 0.00 C ATOM 194 C LYS A 15 -19.533 -3.768 -0.489 1.00 0.00 C ATOM 195 O LYS A 15 -20.492 -3.067 -0.819 1.00 0.00 O ATOM 196 CB LYS A 15 -17.707 -3.691 -2.329 1.00 0.00 C ATOM 197 CG LYS A 15 -17.710 -5.197 -2.688 1.00 0.00 C ATOM 198 CD LYS A 15 -17.203 -5.464 -4.118 1.00 0.00 C ATOM 199 CE LYS A 15 -17.360 -6.939 -4.523 1.00 0.00 C ATOM 200 NZ LYS A 15 -16.731 -7.167 -5.838 1.00 0.00 N ATOM 0 H LYS A 15 -16.193 -4.156 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.206 -2.232 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.397 -3.182 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.712 -3.297 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.085 -5.738 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.722 -5.590 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.752 -4.836 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.153 -5.179 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.900 -7.582 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.417 -7.204 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.840 -8.166 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.189 -6.565 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.719 -6.932 -5.784 1.00 0.00 H new ATOM 213 N ALA A 16 -19.697 -4.907 0.211 1.00 0.00 N ATOM 214 CA ALA A 16 -21.000 -5.306 0.813 1.00 0.00 C ATOM 215 C ALA A 16 -21.636 -4.314 1.849 1.00 0.00 C ATOM 216 O ALA A 16 -22.860 -4.159 1.862 1.00 0.00 O ATOM 217 CB ALA A 16 -20.788 -6.709 1.414 1.00 0.00 C ATOM 0 H ALA A 16 -18.944 -5.575 0.378 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.746 -5.293 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.716 -7.053 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.493 -7.402 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.005 -6.666 2.171 1.00 0.00 H new ATOM 223 N CYS A 17 -20.825 -3.643 2.689 1.00 0.00 N ATOM 224 CA CYS A 17 -21.296 -2.531 3.556 1.00 0.00 C ATOM 225 C CYS A 17 -21.119 -1.080 2.975 1.00 0.00 C ATOM 226 O CYS A 17 -21.979 -0.225 3.209 1.00 0.00 O ATOM 227 CB CYS A 17 -20.565 -2.662 4.905 1.00 0.00 C ATOM 228 SG CYS A 17 -20.700 -4.324 5.635 1.00 0.00 S ATOM 0 H CYS A 17 -19.831 -3.850 2.790 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.377 -2.638 3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.512 -2.418 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.972 -1.931 5.604 1.00 0.00 H new ATOM 233 N HIS A 18 -19.994 -0.782 2.294 1.00 0.00 N ATOM 234 CA HIS A 18 -19.587 0.591 1.905 1.00 0.00 C ATOM 235 C HIS A 18 -19.654 0.790 0.361 1.00 0.00 C ATOM 236 O HIS A 18 -19.068 0.034 -0.421 1.00 0.00 O ATOM 237 CB HIS A 18 -18.129 0.820 2.377 1.00 0.00 C ATOM 238 CG HIS A 18 -17.948 1.092 3.865 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.877 2.361 4.383 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.536 0.162 4.827 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.327 2.113 5.597 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.167 0.799 6.021 1.00 0.00 N ATOM 0 H HIS A 18 -19.331 -1.496 1.993 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.270 1.302 2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.540 -0.058 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.715 1.661 1.820 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.161 3.248 3.968 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.506 -0.906 4.670 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.015 2.931 6.230 1.00 0.00 H new ATOM 250 N LYS A 19 -20.308 1.876 -0.063 1.00 0.00 N ATOM 251 CA LYS A 19 -20.441 2.230 -1.504 1.00 0.00 C ATOM 252 C LYS A 19 -19.281 3.150 -2.009 1.00 0.00 C ATOM 253 O LYS A 19 -18.863 4.101 -1.338 1.00 0.00 O ATOM 254 CB LYS A 19 -21.801 2.934 -1.764 1.00 0.00 C ATOM 255 CG LYS A 19 -23.085 2.112 -1.500 1.00 0.00 C ATOM 256 CD LYS A 19 -24.346 2.820 -2.041 1.00 0.00 C ATOM 257 CE LYS A 19 -25.675 2.152 -1.652 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.029 2.414 -0.241 1.00 0.00 N ATOM 0 H LYS A 19 -20.761 2.538 0.567 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.389 1.294 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.841 3.831 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.818 3.263 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.991 1.132 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.195 1.945 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.352 3.848 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.282 2.865 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -26.470 2.520 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.603 1.077 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -26.931 1.947 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.282 2.041 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.123 3.439 -0.091 1.00 0.00 H new ATOM 271 N LEU A 20 -18.832 2.908 -3.251 1.00 0.00 N ATOM 272 CA LEU A 20 -17.987 3.879 -4.013 1.00 0.00 C ATOM 273 C LEU A 20 -18.767 4.992 -4.796 1.00 0.00 C ATOM 274 O LEU A 20 -18.177 6.037 -5.076 1.00 0.00 O ATOM 275 CB LEU A 20 -17.035 3.094 -4.960 1.00 0.00 C ATOM 276 CG LEU A 20 -15.926 2.254 -4.272 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.295 1.272 -5.268 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.819 3.129 -3.654 1.00 0.00 C ATOM 0 H LEU A 20 -19.034 2.049 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.424 4.435 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.638 2.427 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.558 3.806 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.411 1.706 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.520 0.693 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.062 0.598 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.854 1.827 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.069 2.491 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.350 3.727 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.253 3.789 -2.903 1.00 0.00 H new ATOM 290 N ASP A 21 -20.063 4.841 -5.140 1.00 0.00 N ATOM 291 CA ASP A 21 -20.824 5.870 -5.924 1.00 0.00 C ATOM 292 C ASP A 21 -21.344 7.092 -5.073 1.00 0.00 C ATOM 293 O ASP A 21 -22.527 7.444 -5.113 1.00 0.00 O ATOM 294 CB ASP A 21 -21.960 5.136 -6.695 1.00 0.00 C ATOM 295 CG ASP A 21 -21.508 4.175 -7.796 1.00 0.00 C ATOM 296 OD1 ASP A 21 -21.255 4.523 -8.944 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.419 2.889 -7.358 1.00 0.00 O ATOM 0 H ASP A 21 -20.616 4.020 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.139 6.344 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.559 4.578 -5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.614 5.886 -7.140 1.00 0.00 H new ATOM 302 N GLY A 22 -20.442 7.750 -4.314 1.00 0.00 N ATOM 303 CA GLY A 22 -20.738 8.974 -3.507 1.00 0.00 C ATOM 304 C GLY A 22 -21.953 9.064 -2.538 1.00 0.00 C ATOM 305 O GLY A 22 -22.371 10.175 -2.213 1.00 0.00 O ATOM 0 H GLY A 22 -19.470 7.449 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.848 9.177 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.842 9.796 -4.215 1.00 0.00 H new ATOM 309 N ASN A 23 -22.501 7.930 -2.073 1.00 0.00 N ATOM 310 CA ASN A 23 -23.760 7.883 -1.274 1.00 0.00 C ATOM 311 C ASN A 23 -23.625 6.814 -0.145 1.00 0.00 C ATOM 312 O ASN A 23 -23.232 5.673 -0.399 1.00 0.00 O ATOM 313 CB ASN A 23 -24.955 7.532 -2.207 1.00 0.00 C ATOM 314 CG ASN A 23 -25.468 8.678 -3.086 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.283 9.492 -2.668 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.032 8.783 -4.318 1.00 0.00 N ATOM 0 H ASN A 23 -22.090 7.011 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 23 -23.940 8.857 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.657 6.707 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.780 7.173 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.371 9.536 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.354 8.112 -4.678 1.00 0.00 H new ATOM 323 N ASP A 24 -23.958 7.164 1.107 1.00 0.00 N ATOM 324 CA ASP A 24 -23.856 6.228 2.268 1.00 0.00 C ATOM 325 C ASP A 24 -24.978 5.132 2.366 1.00 0.00 C ATOM 326 O ASP A 24 -26.052 5.256 1.768 1.00 0.00 O ATOM 327 CB ASP A 24 -23.696 7.083 3.554 1.00 0.00 C ATOM 328 CG ASP A 24 -24.828 8.043 3.936 1.00 0.00 C ATOM 329 OD1 ASP A 24 -24.928 9.179 3.483 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.672 7.517 4.866 1.00 0.00 O ATOM 0 H ASP A 24 -24.304 8.091 1.355 1.00 0.00 H new ATOM 0 HA ASP A 24 -22.974 5.605 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.543 6.400 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.783 7.670 3.451 1.00 0.00 H new ATOM 335 N GLY A 25 -24.719 4.053 3.130 1.00 0.00 N ATOM 336 CA GLY A 25 -25.723 2.976 3.352 1.00 0.00 C ATOM 337 C GLY A 25 -25.555 2.261 4.702 1.00 0.00 C ATOM 338 O GLY A 25 -25.921 2.806 5.744 1.00 0.00 O ATOM 0 H GLY A 25 -23.830 3.898 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.724 3.404 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.645 2.244 2.548 1.00 0.00 H new ATOM 342 N VAL A 26 -24.987 1.046 4.680 1.00 0.00 N ATOM 343 CA VAL A 26 -24.572 0.321 5.930 1.00 0.00 C ATOM 344 C VAL A 26 -23.300 0.977 6.575 1.00 0.00 C ATOM 345 O VAL A 26 -23.333 1.293 7.766 1.00 0.00 O ATOM 346 CB VAL A 26 -24.426 -1.224 5.696 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.025 -2.017 6.965 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.695 -1.907 5.131 1.00 0.00 C ATOM 0 H VAL A 26 -24.797 0.530 3.821 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.375 0.429 6.659 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.625 -1.262 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.944 -3.076 6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.065 -1.655 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.783 -1.878 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.507 -2.973 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.523 -1.768 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.950 -1.462 4.169 1.00 0.00 H new ATOM 358 N GLY A 27 -22.217 1.201 5.807 1.00 0.00 N ATOM 359 CA GLY A 27 -21.163 2.175 6.182 1.00 0.00 C ATOM 360 C GLY A 27 -21.177 3.522 5.385 1.00 0.00 C ATOM 361 O GLY A 27 -21.844 3.623 4.345 1.00 0.00 O ATOM 0 H GLY A 27 -22.045 0.723 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.262 2.400 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.190 1.702 6.046 1.00 0.00 H new ATOM 365 N PRO A 28 -20.424 4.581 5.806 1.00 0.00 N ATOM 366 CA PRO A 28 -20.277 5.843 5.027 1.00 0.00 C ATOM 367 C PRO A 28 -19.383 5.694 3.753 1.00 0.00 C ATOM 368 O PRO A 28 -18.340 5.035 3.785 1.00 0.00 O ATOM 369 CB PRO A 28 -19.669 6.785 6.085 1.00 0.00 C ATOM 370 CG PRO A 28 -18.841 5.865 6.981 1.00 0.00 C ATOM 371 CD PRO A 28 -19.683 4.602 7.080 1.00 0.00 C ATOM 0 HA PRO A 28 -21.214 6.201 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.049 7.554 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.445 7.299 6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -17.862 5.660 6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.670 6.309 7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.062 3.714 7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.357 4.635 7.936 1.00 0.00 H new ATOM 379 N HIS A 29 -19.778 6.315 2.631 1.00 0.00 N ATOM 380 CA HIS A 29 -19.136 6.097 1.299 1.00 0.00 C ATOM 381 C HIS A 29 -17.581 6.273 1.234 1.00 0.00 C ATOM 382 O HIS A 29 -17.047 7.334 1.574 1.00 0.00 O ATOM 383 CB HIS A 29 -19.866 6.959 0.234 1.00 0.00 C ATOM 384 CG HIS A 29 -19.844 8.483 0.402 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.810 9.189 1.107 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.925 9.357 -0.201 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.382 10.465 0.837 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.254 10.668 0.088 1.00 0.00 N ATOM 0 H HIS A 29 -20.548 6.983 2.608 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.257 5.035 1.085 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.434 6.724 -0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -20.908 6.641 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.083 9.049 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.936 11.311 1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.790 11.536 -0.180 1.00 0.00 H new ATOM 396 N LEU A 30 -16.857 5.223 0.811 1.00 0.00 N ATOM 397 CA LEU A 30 -15.358 5.244 0.780 1.00 0.00 C ATOM 398 C LEU A 30 -14.671 5.940 -0.445 1.00 0.00 C ATOM 399 O LEU A 30 -13.447 6.099 -0.432 1.00 0.00 O ATOM 400 CB LEU A 30 -14.818 3.808 1.031 1.00 0.00 C ATOM 401 CG LEU A 30 -15.071 3.205 2.438 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.664 1.724 2.484 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.356 3.942 3.584 1.00 0.00 C ATOM 0 H LEU A 30 -17.268 4.348 0.485 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.068 5.912 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.263 3.143 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.743 3.812 0.851 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.143 3.321 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.852 1.326 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.248 1.163 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.604 1.631 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.588 3.454 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.279 3.917 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.694 4.978 3.617 1.00 0.00 H new ATOM 415 N ASN A 31 -15.425 6.444 -1.442 1.00 0.00 N ATOM 416 CA ASN A 31 -14.905 7.432 -2.423 1.00 0.00 C ATOM 417 C ASN A 31 -14.699 8.829 -1.744 1.00 0.00 C ATOM 418 O ASN A 31 -15.620 9.393 -1.140 1.00 0.00 O ATOM 419 CB ASN A 31 -15.881 7.464 -3.623 1.00 0.00 C ATOM 420 CG ASN A 31 -15.378 8.218 -4.847 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.590 7.705 -5.634 1.00 0.00 O ATOM 422 ND2 ASN A 31 -15.789 9.443 -5.032 1.00 0.00 N ATOM 0 H ASN A 31 -16.400 6.185 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.920 7.145 -2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.106 6.438 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.818 7.916 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.455 9.978 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.445 9.866 -4.375 1.00 0.00 H new ATOM 429 N GLY A 32 -13.460 9.332 -1.791 1.00 0.00 N ATOM 430 CA GLY A 32 -13.068 10.577 -1.074 1.00 0.00 C ATOM 431 C GLY A 32 -12.869 10.504 0.460 1.00 0.00 C ATOM 432 O GLY A 32 -13.116 11.499 1.141 1.00 0.00 O ATOM 0 H GLY A 32 -12.700 8.902 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.138 10.936 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.828 11.331 -1.276 1.00 0.00 H new ATOM 436 N VAL A 33 -12.423 9.360 1.006 1.00 0.00 N ATOM 437 CA VAL A 33 -12.140 9.200 2.471 1.00 0.00 C ATOM 438 C VAL A 33 -10.709 9.642 2.950 1.00 0.00 C ATOM 439 O VAL A 33 -10.571 10.053 4.105 1.00 0.00 O ATOM 440 CB VAL A 33 -12.554 7.757 2.927 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.621 6.631 2.429 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.713 7.625 4.460 1.00 0.00 C ATOM 0 H VAL A 33 -12.245 8.516 0.461 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.765 9.926 2.991 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.524 7.623 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.985 5.670 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.607 6.625 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.612 6.802 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.000 6.604 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.767 7.865 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.484 8.313 4.806 1.00 0.00 H new ATOM 452 N VAL A 34 -9.652 9.553 2.115 1.00 0.00 N ATOM 453 CA VAL A 34 -8.242 9.828 2.538 1.00 0.00 C ATOM 454 C VAL A 34 -8.030 11.373 2.706 1.00 0.00 C ATOM 455 O VAL A 34 -8.118 12.136 1.739 1.00 0.00 O ATOM 456 CB VAL A 34 -7.198 9.159 1.574 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.743 9.300 2.084 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.435 7.649 1.334 1.00 0.00 C ATOM 0 H VAL A 34 -9.740 9.291 1.133 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.068 9.366 3.510 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.342 9.703 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.063 8.820 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.489 10.356 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.652 8.823 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.672 7.264 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.381 7.117 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.420 7.501 0.891 1.00 0.00 H new ATOM 468 N GLY A 35 -7.808 11.823 3.952 1.00 0.00 N ATOM 469 CA GLY A 35 -7.954 13.260 4.323 1.00 0.00 C ATOM 470 C GLY A 35 -9.325 13.762 4.855 1.00 0.00 C ATOM 471 O GLY A 35 -9.389 14.908 5.302 1.00 0.00 O ATOM 0 H GLY A 35 -7.527 11.221 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.204 13.482 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.704 13.854 3.444 1.00 0.00 H new ATOM 475 N ARG A 36 -10.406 12.959 4.825 1.00 0.00 N ATOM 476 CA ARG A 36 -11.758 13.386 5.280 1.00 0.00 C ATOM 477 C ARG A 36 -11.935 13.219 6.822 1.00 0.00 C ATOM 478 O ARG A 36 -11.374 12.313 7.445 1.00 0.00 O ATOM 479 CB ARG A 36 -12.804 12.577 4.460 1.00 0.00 C ATOM 480 CG ARG A 36 -14.276 13.062 4.579 1.00 0.00 C ATOM 481 CD ARG A 36 -15.263 12.370 3.618 1.00 0.00 C ATOM 482 NE ARG A 36 -15.571 10.977 4.051 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.972 9.988 3.252 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.011 10.066 1.947 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.345 8.867 3.793 1.00 0.00 N ATOM 0 H ARG A 36 -10.375 11.997 4.487 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.901 14.451 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.515 12.606 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.758 11.535 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.615 12.903 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.306 14.136 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.186 12.947 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.841 12.354 2.613 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.466 10.762 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.723 10.925 1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.330 9.268 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.327 8.759 4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.656 8.095 3.204 1.00 0.00 H new ATOM 499 N THR A 37 -12.745 14.096 7.433 1.00 0.00 N ATOM 500 CA THR A 37 -12.937 14.153 8.912 1.00 0.00 C ATOM 501 C THR A 37 -13.501 12.836 9.548 1.00 0.00 C ATOM 502 O THR A 37 -14.332 12.133 8.960 1.00 0.00 O ATOM 503 CB THR A 37 -13.770 15.439 9.211 1.00 0.00 C ATOM 504 OG1 THR A 37 -13.112 16.593 8.681 1.00 0.00 O ATOM 505 CG2 THR A 37 -14.007 15.747 10.698 1.00 0.00 C ATOM 0 H THR A 37 -13.292 14.792 6.926 1.00 0.00 H new ATOM 0 HA THR A 37 -11.970 14.222 9.410 1.00 0.00 H new ATOM 0 HB THR A 37 -14.733 15.228 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.151 16.416 8.607 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.595 16.660 10.791 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.546 14.919 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.048 15.880 11.199 1.00 0.00 H new ATOM 513 N VAL A 38 -13.027 12.512 10.766 1.00 0.00 N ATOM 514 CA VAL A 38 -13.532 11.352 11.562 1.00 0.00 C ATOM 515 C VAL A 38 -14.972 11.687 12.090 1.00 0.00 C ATOM 516 O VAL A 38 -15.168 12.679 12.799 1.00 0.00 O ATOM 517 CB VAL A 38 -12.520 10.963 12.696 1.00 0.00 C ATOM 518 CG1 VAL A 38 -12.993 9.732 13.496 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.090 10.620 12.206 1.00 0.00 C ATOM 0 H VAL A 38 -12.288 13.037 11.233 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.610 10.466 10.933 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.486 11.866 13.305 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.262 9.498 14.270 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.956 9.947 13.959 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.095 8.879 12.825 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.464 10.364 13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.133 9.773 11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.666 11.482 11.690 1.00 0.00 H new ATOM 529 N ALA A 39 -15.975 10.897 11.658 1.00 0.00 N ATOM 530 CA ALA A 39 -17.403 11.335 11.599 1.00 0.00 C ATOM 531 C ALA A 39 -17.689 12.491 10.576 1.00 0.00 C ATOM 532 O ALA A 39 -18.160 13.573 10.939 1.00 0.00 O ATOM 533 CB ALA A 39 -18.021 11.528 13.002 1.00 0.00 C ATOM 0 H ALA A 39 -15.829 9.939 11.339 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.952 10.500 11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.059 11.846 12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.981 10.586 13.550 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.459 12.288 13.546 1.00 0.00 H new ATOM 539 N GLY A 40 -17.419 12.238 9.280 1.00 0.00 N ATOM 540 CA GLY A 40 -17.497 13.278 8.217 1.00 0.00 C ATOM 541 C GLY A 40 -18.292 12.880 6.956 1.00 0.00 C ATOM 542 O GLY A 40 -17.758 12.937 5.848 1.00 0.00 O ATOM 0 H GLY A 40 -17.143 11.318 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.949 14.174 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.483 13.543 7.917 1.00 0.00 H new ATOM 546 N VAL A 41 -19.573 12.518 7.130 1.00 0.00 N ATOM 547 CA VAL A 41 -20.562 12.419 6.010 1.00 0.00 C ATOM 548 C VAL A 41 -21.910 12.991 6.559 1.00 0.00 C ATOM 549 O VAL A 41 -22.561 12.368 7.407 1.00 0.00 O ATOM 550 CB VAL A 41 -20.723 10.971 5.411 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.861 10.850 4.365 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.445 10.449 4.714 1.00 0.00 C ATOM 0 H VAL A 41 -19.965 12.284 8.042 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.202 12.996 5.158 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.954 10.374 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.910 9.825 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.811 11.116 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.663 11.524 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.626 9.447 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.181 11.115 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.626 10.416 5.433 1.00 0.00 H new ATOM 562 N ASP A 42 -22.365 14.139 6.020 1.00 0.00 N ATOM 563 CA ASP A 42 -23.746 14.652 6.252 1.00 0.00 C ATOM 564 C ASP A 42 -24.811 13.771 5.511 1.00 0.00 C ATOM 565 O ASP A 42 -24.909 13.793 4.280 1.00 0.00 O ATOM 566 CB ASP A 42 -23.803 16.171 5.923 1.00 0.00 C ATOM 567 CG ASP A 42 -23.595 16.619 4.471 1.00 0.00 C ATOM 568 OD1 ASP A 42 -22.308 16.459 4.052 1.00 0.00 O ATOM 569 OD2 ASP A 42 -24.483 17.086 3.767 1.00 0.00 O ATOM 0 H ASP A 42 -21.800 14.737 5.417 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.010 14.563 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -24.775 16.543 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -23.050 16.670 6.534 1.00 0.00 H new ATOM 574 N GLY A 43 -25.531 12.929 6.269 1.00 0.00 N ATOM 575 CA GLY A 43 -26.267 11.765 5.693 1.00 0.00 C ATOM 576 C GLY A 43 -26.075 10.379 6.360 1.00 0.00 C ATOM 577 O GLY A 43 -26.881 9.486 6.082 1.00 0.00 O ATOM 0 H GLY A 43 -25.626 13.022 7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.331 12.000 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.980 11.674 4.645 1.00 0.00 H new ATOM 581 N PHE A 44 -25.026 10.152 7.177 1.00 0.00 N ATOM 582 CA PHE A 44 -24.824 8.873 7.914 1.00 0.00 C ATOM 583 C PHE A 44 -25.007 9.055 9.460 1.00 0.00 C ATOM 584 O PHE A 44 -24.477 9.992 10.068 1.00 0.00 O ATOM 585 CB PHE A 44 -23.425 8.310 7.532 1.00 0.00 C ATOM 586 CG PHE A 44 -23.178 6.877 8.035 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.757 5.787 7.377 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.479 6.663 9.227 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.641 4.507 7.907 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.368 5.383 9.760 1.00 0.00 C ATOM 591 CZ PHE A 44 -22.944 4.304 9.094 1.00 0.00 C ATOM 0 H PHE A 44 -24.295 10.842 7.349 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.587 8.151 7.624 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.319 8.328 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.655 8.966 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.296 5.940 6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.022 7.498 9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.093 3.669 7.397 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -21.837 5.226 10.687 1.00 0.00 H new ATOM 0 HZ PHE A 44 -22.849 3.308 9.500 1.00 0.00 H new ATOM 601 N ASN A 45 -25.702 8.096 10.103 1.00 0.00 N ATOM 602 CA ASN A 45 -25.832 8.043 11.584 1.00 0.00 C ATOM 603 C ASN A 45 -24.575 7.383 12.251 1.00 0.00 C ATOM 604 O ASN A 45 -24.497 6.161 12.409 1.00 0.00 O ATOM 605 CB ASN A 45 -27.163 7.303 11.891 1.00 0.00 C ATOM 606 CG ASN A 45 -27.611 7.358 13.346 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.248 8.302 13.798 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.304 6.360 14.127 1.00 0.00 N ATOM 0 H ASN A 45 -26.188 7.340 9.621 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.869 9.043 12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.950 7.729 11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.056 6.258 11.599 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.594 6.370 15.105 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.774 5.570 13.760 1.00 0.00 H new ATOM 615 N TYR A 46 -23.609 8.217 12.662 1.00 0.00 N ATOM 616 CA TYR A 46 -22.362 7.758 13.330 1.00 0.00 C ATOM 617 C TYR A 46 -22.551 7.415 14.845 1.00 0.00 C ATOM 618 O TYR A 46 -23.330 8.056 15.558 1.00 0.00 O ATOM 619 CB TYR A 46 -21.275 8.864 13.169 1.00 0.00 C ATOM 620 CG TYR A 46 -20.704 9.042 11.753 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.700 8.185 11.294 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.176 10.056 10.915 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.174 8.339 10.015 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.650 10.208 9.634 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.646 9.353 9.186 1.00 0.00 C ATOM 626 OH TYR A 46 -19.080 9.543 7.955 1.00 0.00 O ATOM 0 H TYR A 46 -23.661 9.229 12.545 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.057 6.830 12.847 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.701 9.815 13.490 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.451 8.638 13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.330 7.399 11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.951 10.724 11.262 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.400 7.672 9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -21.021 10.990 8.988 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.212 9.090 7.921 1.00 0.00 H new ATOM 636 N SER A 47 -21.759 6.453 15.358 1.00 0.00 N ATOM 637 CA SER A 47 -21.650 6.203 16.824 1.00 0.00 C ATOM 638 C SER A 47 -20.955 7.365 17.605 1.00 0.00 C ATOM 639 O SER A 47 -20.035 8.026 17.110 1.00 0.00 O ATOM 640 CB SER A 47 -20.872 4.890 17.075 1.00 0.00 C ATOM 641 OG SER A 47 -21.526 3.763 16.506 1.00 0.00 O ATOM 0 H SER A 47 -21.184 5.834 14.787 1.00 0.00 H new ATOM 0 HA SER A 47 -22.671 6.130 17.199 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.870 4.977 16.655 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.756 4.738 18.148 1.00 0.00 H new ATOM 0 HG SER A 47 -21.201 2.945 16.936 1.00 0.00 H new ATOM 647 N ASP A 48 -21.375 7.566 18.865 1.00 0.00 N ATOM 648 CA ASP A 48 -20.817 8.632 19.754 1.00 0.00 C ATOM 649 C ASP A 48 -19.262 8.598 19.995 1.00 0.00 C ATOM 650 O ASP A 48 -18.675 9.678 19.877 1.00 0.00 O ATOM 651 CB ASP A 48 -21.634 8.732 21.071 1.00 0.00 C ATOM 652 CG ASP A 48 -23.080 9.204 20.896 1.00 0.00 C ATOM 653 OD1 ASP A 48 -24.015 8.435 20.696 1.00 0.00 O ATOM 654 OD2 ASP A 48 -23.199 10.563 20.970 1.00 0.00 O ATOM 0 H ASP A 48 -22.105 7.006 19.306 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.940 9.558 19.192 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.642 7.754 21.552 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.123 9.416 21.748 1.00 0.00 H new ATOM 659 N PRO A 49 -18.535 7.464 20.241 1.00 0.00 N ATOM 660 CA PRO A 49 -17.043 7.433 20.201 1.00 0.00 C ATOM 661 C PRO A 49 -16.309 7.824 18.880 1.00 0.00 C ATOM 662 O PRO A 49 -15.199 8.350 18.952 1.00 0.00 O ATOM 663 CB PRO A 49 -16.722 5.994 20.646 1.00 0.00 C ATOM 664 CG PRO A 49 -17.968 5.523 21.395 1.00 0.00 C ATOM 665 CD PRO A 49 -19.120 6.169 20.635 1.00 0.00 C ATOM 0 HA PRO A 49 -16.658 8.229 20.838 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.511 5.354 19.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.842 5.967 21.288 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.048 4.436 21.393 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.950 5.839 22.438 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.422 5.577 19.771 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.004 6.293 21.261 1.00 0.00 H new ATOM 673 N MET A 50 -16.916 7.604 17.697 1.00 0.00 N ATOM 674 CA MET A 50 -16.457 8.246 16.430 1.00 0.00 C ATOM 675 C MET A 50 -16.698 9.796 16.364 1.00 0.00 C ATOM 676 O MET A 50 -15.798 10.533 15.953 1.00 0.00 O ATOM 677 CB MET A 50 -17.106 7.487 15.240 1.00 0.00 C ATOM 678 CG MET A 50 -16.441 7.777 13.880 1.00 0.00 C ATOM 679 SD MET A 50 -14.775 7.087 13.833 1.00 0.00 S ATOM 680 CE MET A 50 -15.078 5.474 13.101 1.00 0.00 C ATOM 0 H MET A 50 -17.723 6.991 17.583 1.00 0.00 H new ATOM 0 HA MET A 50 -15.371 8.161 16.380 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.059 6.416 15.436 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.161 7.755 15.182 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.041 7.350 13.076 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.401 8.853 13.710 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.139 4.926 13.027 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.775 4.916 13.726 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.504 5.600 12.106 1.00 0.00 H new ATOM 690 N LYS A 51 -17.882 10.286 16.783 1.00 0.00 N ATOM 691 CA LYS A 51 -18.177 11.749 16.887 1.00 0.00 C ATOM 692 C LYS A 51 -17.299 12.522 17.932 1.00 0.00 C ATOM 693 O LYS A 51 -16.751 13.575 17.599 1.00 0.00 O ATOM 694 CB LYS A 51 -19.697 11.961 17.135 1.00 0.00 C ATOM 695 CG LYS A 51 -20.634 11.482 15.996 1.00 0.00 C ATOM 696 CD LYS A 51 -22.135 11.766 16.209 1.00 0.00 C ATOM 697 CE LYS A 51 -22.770 10.970 17.361 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.234 11.146 17.370 1.00 0.00 N ATOM 0 H LYS A 51 -18.663 9.692 17.060 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.898 12.190 15.930 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.974 11.441 18.052 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.875 13.023 17.305 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.320 11.957 15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.500 10.408 15.866 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.268 12.831 16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.671 11.539 15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.526 9.913 17.257 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.353 11.301 18.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.644 10.601 18.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.462 12.153 17.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.630 10.808 16.470 1.00 0.00 H new ATOM 711 N ALA A 52 -17.117 11.990 19.156 1.00 0.00 N ATOM 712 CA ALA A 52 -16.120 12.512 20.131 1.00 0.00 C ATOM 713 C ALA A 52 -14.616 12.079 19.949 1.00 0.00 C ATOM 714 O ALA A 52 -13.830 12.229 20.889 1.00 0.00 O ATOM 715 CB ALA A 52 -16.689 12.100 21.506 1.00 0.00 C ATOM 0 H ALA A 52 -17.649 11.192 19.502 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.019 13.588 19.986 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.019 12.443 22.295 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.672 12.551 21.643 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.778 11.015 21.552 1.00 0.00 H new ATOM 721 N HIS A 53 -14.181 11.607 18.761 1.00 0.00 N ATOM 722 CA HIS A 53 -12.758 11.249 18.493 1.00 0.00 C ATOM 723 C HIS A 53 -11.845 12.491 18.207 1.00 0.00 C ATOM 724 O HIS A 53 -10.881 12.713 18.944 1.00 0.00 O ATOM 725 CB HIS A 53 -12.738 10.169 17.373 1.00 0.00 C ATOM 726 CG HIS A 53 -11.415 9.419 17.223 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.430 9.766 16.308 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.035 8.281 17.957 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.518 8.780 16.584 1.00 0.00 C ATOM 730 NE2 HIS A 53 -9.791 7.839 17.544 1.00 0.00 N ATOM 0 H HIS A 53 -14.796 11.462 17.961 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.311 10.828 19.393 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.528 9.445 17.573 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.977 10.648 16.423 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.629 7.819 18.732 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.583 8.744 16.045 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.237 7.044 17.861 1.00 0.00 H new ATOM 738 N GLY A 54 -12.133 13.280 17.152 1.00 0.00 N ATOM 739 CA GLY A 54 -11.317 14.469 16.790 1.00 0.00 C ATOM 740 C GLY A 54 -10.112 14.166 15.881 1.00 0.00 C ATOM 741 O GLY A 54 -9.009 13.896 16.361 1.00 0.00 O ATOM 0 H GLY A 54 -12.926 13.119 16.531 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.958 15.195 16.291 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.956 14.938 17.705 1.00 0.00 H new ATOM 745 N GLY A 55 -10.328 14.248 14.566 1.00 0.00 N ATOM 746 CA GLY A 55 -9.253 14.006 13.574 1.00 0.00 C ATOM 747 C GLY A 55 -9.702 13.981 12.097 1.00 0.00 C ATOM 748 O GLY A 55 -10.860 14.235 11.749 1.00 0.00 O ATOM 0 H GLY A 55 -11.232 14.479 14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.494 14.779 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.776 13.054 13.806 1.00 0.00 H new ATOM 752 N ASP A 56 -8.747 13.641 11.219 1.00 0.00 N ATOM 753 CA ASP A 56 -9.022 13.372 9.775 1.00 0.00 C ATOM 754 C ASP A 56 -8.326 12.046 9.328 1.00 0.00 C ATOM 755 O ASP A 56 -7.295 11.636 9.878 1.00 0.00 O ATOM 756 CB ASP A 56 -8.587 14.574 8.892 1.00 0.00 C ATOM 757 CG ASP A 56 -9.388 15.867 9.096 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.436 16.127 8.508 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.812 16.681 10.027 1.00 0.00 O ATOM 0 H ASP A 56 -7.764 13.542 11.474 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.097 13.248 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.535 14.784 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.665 14.280 7.845 1.00 0.00 H new ATOM 764 N TRP A 57 -8.891 11.367 8.313 1.00 0.00 N ATOM 765 CA TRP A 57 -8.468 9.990 7.931 1.00 0.00 C ATOM 766 C TRP A 57 -7.199 9.958 7.022 1.00 0.00 C ATOM 767 O TRP A 57 -7.255 9.753 5.808 1.00 0.00 O ATOM 768 CB TRP A 57 -9.684 9.233 7.324 1.00 0.00 C ATOM 769 CG TRP A 57 -10.697 8.674 8.332 1.00 0.00 C ATOM 770 CD1 TRP A 57 -12.055 9.043 8.422 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.501 7.737 9.340 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.715 8.343 9.447 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.735 7.554 10.010 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.329 7.083 9.809 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.804 6.749 11.168 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.421 6.299 10.958 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.637 6.143 11.633 1.00 0.00 C ATOM 0 H TRP A 57 -9.644 11.743 7.736 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.150 9.465 8.832 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.208 9.909 6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.308 8.407 6.720 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.529 9.773 7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.698 8.405 9.714 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.390 7.191 9.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.742 6.605 11.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.538 5.803 11.334 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.672 5.543 12.530 1.00 0.00 H new ATOM 788 N THR A 58 -6.038 10.121 7.662 1.00 0.00 N ATOM 789 CA THR A 58 -4.699 10.026 7.011 1.00 0.00 C ATOM 790 C THR A 58 -4.261 8.539 6.724 1.00 0.00 C ATOM 791 O THR A 58 -4.775 7.631 7.392 1.00 0.00 O ATOM 792 CB THR A 58 -3.660 10.785 7.906 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.587 10.232 9.217 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.920 12.296 8.058 1.00 0.00 C ATOM 0 H THR A 58 -5.985 10.326 8.660 1.00 0.00 H new ATOM 0 HA THR A 58 -4.750 10.496 6.029 1.00 0.00 H new ATOM 0 HB THR A 58 -2.721 10.655 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.928 10.729 9.746 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.151 12.735 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.895 12.770 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.899 12.453 8.511 1.00 0.00 H new ATOM 802 N PRO A 59 -3.315 8.210 5.787 1.00 0.00 N ATOM 803 CA PRO A 59 -2.827 6.807 5.577 1.00 0.00 C ATOM 804 C PRO A 59 -2.359 5.996 6.830 1.00 0.00 C ATOM 805 O PRO A 59 -2.806 4.866 7.048 1.00 0.00 O ATOM 806 CB PRO A 59 -1.725 6.992 4.511 1.00 0.00 C ATOM 807 CG PRO A 59 -1.352 8.475 4.523 1.00 0.00 C ATOM 808 CD PRO A 59 -2.650 9.186 4.897 1.00 0.00 C ATOM 0 HA PRO A 59 -3.653 6.163 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.858 6.372 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.083 6.690 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.563 8.681 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.986 8.801 3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.461 10.132 5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.256 9.410 4.019 1.00 0.00 H new ATOM 816 N GLU A 60 -1.521 6.617 7.673 1.00 0.00 N ATOM 817 CA GLU A 60 -1.219 6.133 9.054 1.00 0.00 C ATOM 818 C GLU A 60 -2.447 5.854 9.995 1.00 0.00 C ATOM 819 O GLU A 60 -2.557 4.744 10.522 1.00 0.00 O ATOM 820 CB GLU A 60 -0.105 7.013 9.685 1.00 0.00 C ATOM 821 CG GLU A 60 -0.473 8.483 10.005 1.00 0.00 C ATOM 822 CD GLU A 60 0.685 9.303 10.565 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.417 9.903 9.586 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.928 9.413 11.762 1.00 0.00 O ATOM 0 H GLU A 60 -1.025 7.474 7.428 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.840 5.118 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.222 6.536 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.749 7.016 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.838 8.962 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.293 8.494 10.723 1.00 0.00 H new ATOM 831 N ALA A 61 -3.384 6.811 10.161 1.00 0.00 N ATOM 832 CA ALA A 61 -4.658 6.586 10.903 1.00 0.00 C ATOM 833 C ALA A 61 -5.622 5.506 10.308 1.00 0.00 C ATOM 834 O ALA A 61 -6.120 4.661 11.057 1.00 0.00 O ATOM 835 CB ALA A 61 -5.342 7.959 11.046 1.00 0.00 C ATOM 0 H ALA A 61 -3.287 7.756 9.791 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.405 6.152 11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.282 7.843 11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.689 8.635 11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.540 8.372 10.057 1.00 0.00 H new ATOM 841 N LEU A 62 -5.845 5.495 8.978 1.00 0.00 N ATOM 842 CA LEU A 62 -6.538 4.382 8.268 1.00 0.00 C ATOM 843 C LEU A 62 -5.878 2.975 8.434 1.00 0.00 C ATOM 844 O LEU A 62 -6.596 2.035 8.776 1.00 0.00 O ATOM 845 CB LEU A 62 -6.698 4.751 6.763 1.00 0.00 C ATOM 846 CG LEU A 62 -7.742 5.844 6.415 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.528 6.355 4.983 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.187 5.330 6.556 1.00 0.00 C ATOM 0 H LEU A 62 -5.553 6.252 8.360 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.513 4.279 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.728 5.078 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.961 3.845 6.218 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.597 6.657 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.269 7.121 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.528 6.779 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.635 5.527 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.884 6.129 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.341 4.487 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.361 5.010 7.583 1.00 0.00 H new ATOM 860 N GLN A 63 -4.552 2.799 8.241 1.00 0.00 N ATOM 861 CA GLN A 63 -3.872 1.496 8.518 1.00 0.00 C ATOM 862 C GLN A 63 -3.856 1.029 10.020 1.00 0.00 C ATOM 863 O GLN A 63 -3.999 -0.167 10.290 1.00 0.00 O ATOM 864 CB GLN A 63 -2.510 1.432 7.763 1.00 0.00 C ATOM 865 CG GLN A 63 -1.251 2.007 8.460 1.00 0.00 C ATOM 866 CD GLN A 63 -0.554 1.068 9.459 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.486 -0.149 9.293 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.000 1.600 10.521 1.00 0.00 N ATOM 0 H GLN A 63 -3.929 3.530 7.898 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.503 0.712 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.310 0.387 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.632 1.955 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.531 2.290 7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.534 2.920 8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.049 2.608 10.671 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.480 1.006 11.197 1.00 0.00 H new ATOM 877 N GLU A 64 -3.746 1.948 11.000 1.00 0.00 N ATOM 878 CA GLU A 64 -4.073 1.659 12.429 1.00 0.00 C ATOM 879 C GLU A 64 -5.552 1.190 12.660 1.00 0.00 C ATOM 880 O GLU A 64 -5.763 0.092 13.183 1.00 0.00 O ATOM 881 CB GLU A 64 -3.702 2.891 13.303 1.00 0.00 C ATOM 882 CG GLU A 64 -2.186 3.176 13.446 1.00 0.00 C ATOM 883 CD GLU A 64 -1.878 4.432 14.258 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.834 5.555 13.488 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.687 4.430 15.469 1.00 0.00 O ATOM 0 H GLU A 64 -3.432 2.905 10.836 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.469 0.805 12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.181 3.773 12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.122 2.748 14.298 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.706 2.320 13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.748 3.278 12.453 1.00 0.00 H new ATOM 892 N PHE A 65 -6.568 1.976 12.245 1.00 0.00 N ATOM 893 CA PHE A 65 -7.998 1.562 12.279 1.00 0.00 C ATOM 894 C PHE A 65 -8.357 0.250 11.504 1.00 0.00 C ATOM 895 O PHE A 65 -9.073 -0.585 12.048 1.00 0.00 O ATOM 896 CB PHE A 65 -8.797 2.804 11.806 1.00 0.00 C ATOM 897 CG PHE A 65 -10.328 2.672 11.878 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.992 2.787 13.105 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.068 2.419 10.718 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.377 2.649 13.168 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.451 2.278 10.789 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.106 2.397 12.010 1.00 0.00 C ATOM 0 H PHE A 65 -6.426 2.916 11.876 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.264 1.265 13.293 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.495 3.660 12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.517 3.024 10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.429 2.983 14.006 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.565 2.333 9.766 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.885 2.738 14.117 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.018 2.075 9.892 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.180 2.294 12.059 1.00 0.00 H new ATOM 912 N LEU A 66 -7.857 0.024 10.280 1.00 0.00 N ATOM 913 CA LEU A 66 -8.010 -1.290 9.584 1.00 0.00 C ATOM 914 C LEU A 66 -7.154 -2.479 10.150 1.00 0.00 C ATOM 915 O LEU A 66 -7.444 -3.625 9.807 1.00 0.00 O ATOM 916 CB LEU A 66 -7.769 -1.088 8.061 1.00 0.00 C ATOM 917 CG LEU A 66 -8.711 -0.104 7.313 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.242 0.081 5.861 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.183 -0.546 7.342 1.00 0.00 C ATOM 0 H LEU A 66 -7.343 0.722 9.743 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.033 -1.611 9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.744 -0.743 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.844 -2.061 7.576 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.656 0.848 7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.910 0.773 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.229 0.483 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.254 -0.881 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.792 0.181 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.279 -1.523 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.523 -0.610 8.376 1.00 0.00 H new ATOM 931 N THR A 67 -6.161 -2.253 11.036 1.00 0.00 N ATOM 932 CA THR A 67 -5.564 -3.329 11.886 1.00 0.00 C ATOM 933 C THR A 67 -6.574 -3.865 12.965 1.00 0.00 C ATOM 934 O THR A 67 -6.839 -5.069 12.982 1.00 0.00 O ATOM 935 CB THR A 67 -4.203 -2.854 12.491 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.329 -2.345 11.486 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.407 -3.973 13.183 1.00 0.00 C ATOM 0 H THR A 67 -5.748 -1.333 11.189 1.00 0.00 H new ATOM 0 HA THR A 67 -5.349 -4.188 11.250 1.00 0.00 H new ATOM 0 HB THR A 67 -4.496 -2.093 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.536 -1.402 11.319 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.476 -3.567 13.577 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.997 -4.387 14.001 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.183 -4.760 12.462 1.00 0.00 H new ATOM 945 N ASN A 68 -7.145 -3.002 13.834 1.00 0.00 N ATOM 946 CA ASN A 68 -8.301 -3.373 14.702 1.00 0.00 C ATOM 947 C ASN A 68 -9.231 -2.115 14.884 1.00 0.00 C ATOM 948 O ASN A 68 -8.848 -1.210 15.641 1.00 0.00 O ATOM 949 CB ASN A 68 -7.800 -3.977 16.043 1.00 0.00 C ATOM 950 CG ASN A 68 -8.896 -4.578 16.942 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.004 -4.069 17.077 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.620 -5.664 17.620 1.00 0.00 N ATOM 0 H ASN A 68 -6.828 -2.040 13.958 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.901 -4.153 14.232 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.068 -4.753 15.822 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.281 -3.199 16.602 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.319 -6.068 18.243 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.706 -6.106 17.525 1.00 0.00 H new ATOM 959 N PRO A 69 -10.446 -2.007 14.262 1.00 0.00 N ATOM 960 CA PRO A 69 -11.278 -0.772 14.357 1.00 0.00 C ATOM 961 C PRO A 69 -11.964 -0.478 15.726 1.00 0.00 C ATOM 962 O PRO A 69 -11.980 0.679 16.156 1.00 0.00 O ATOM 963 CB PRO A 69 -12.237 -0.896 13.157 1.00 0.00 C ATOM 964 CG PRO A 69 -12.241 -2.364 12.738 1.00 0.00 C ATOM 965 CD PRO A 69 -10.930 -2.962 13.245 1.00 0.00 C ATOM 0 HA PRO A 69 -10.653 0.120 14.313 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.241 -0.570 13.430 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.909 -0.261 12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.097 -2.887 13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.317 -2.458 11.655 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.087 -3.951 13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.209 -3.077 12.436 1.00 0.00 H new ATOM 973 N LYS A 70 -12.481 -1.507 16.421 1.00 0.00 N ATOM 974 CA LYS A 70 -12.971 -1.380 17.828 1.00 0.00 C ATOM 975 C LYS A 70 -11.895 -1.168 18.949 1.00 0.00 C ATOM 976 O LYS A 70 -12.244 -0.661 20.017 1.00 0.00 O ATOM 977 CB LYS A 70 -13.923 -2.567 18.144 1.00 0.00 C ATOM 978 CG LYS A 70 -15.275 -2.548 17.386 1.00 0.00 C ATOM 979 CD LYS A 70 -16.173 -3.749 17.738 1.00 0.00 C ATOM 980 CE LYS A 70 -17.512 -3.703 16.986 1.00 0.00 C ATOM 981 NZ LYS A 70 -18.334 -4.878 17.335 1.00 0.00 N ATOM 0 H LYS A 70 -12.576 -2.447 16.038 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.505 -0.430 17.858 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.407 -3.498 17.910 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.125 -2.575 19.215 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.804 -1.624 17.619 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.085 -2.545 16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.652 -4.675 17.495 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.360 -3.760 18.812 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.048 -2.788 17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.333 -3.682 15.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.237 -4.835 16.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.826 -5.747 17.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.519 -4.881 18.358 1.00 0.00 H new ATOM 994 N ALA A 71 -10.612 -1.493 18.722 1.00 0.00 N ATOM 995 CA ALA A 71 -9.491 -0.989 19.565 1.00 0.00 C ATOM 996 C ALA A 71 -9.110 0.514 19.338 1.00 0.00 C ATOM 997 O ALA A 71 -8.957 1.247 20.318 1.00 0.00 O ATOM 998 CB ALA A 71 -8.293 -1.932 19.360 1.00 0.00 C ATOM 0 H ALA A 71 -10.314 -2.104 17.962 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.823 -0.999 20.603 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.453 -1.590 19.965 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.570 -2.942 19.661 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.006 -1.933 18.308 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.964 0.984 18.079 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.674 2.424 17.768 1.00 0.00 C ATOM 1006 C VAL A 72 -9.866 3.389 18.105 1.00 0.00 C ATOM 1007 O VAL A 72 -9.647 4.398 18.783 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.129 2.572 16.300 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.900 4.033 15.836 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.788 1.835 16.079 1.00 0.00 C ATOM 0 H VAL A 72 -9.041 0.394 17.251 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.880 2.752 18.439 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.931 2.126 15.711 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.524 4.035 14.813 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.842 4.580 15.878 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.173 4.513 16.491 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.462 1.973 15.048 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.035 2.240 16.755 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.920 0.772 16.278 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.096 3.111 17.633 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.306 3.897 18.017 1.00 0.00 C ATOM 1022 C VAL A 73 -13.141 2.985 18.975 1.00 0.00 C ATOM 1023 O VAL A 73 -13.890 2.106 18.531 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.080 4.402 16.752 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.324 5.240 17.120 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.230 5.272 15.792 1.00 0.00 C ATOM 0 H VAL A 73 -11.288 2.348 16.983 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.052 4.816 18.545 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.361 3.477 16.248 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.825 5.566 16.209 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.008 4.634 17.714 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.017 6.112 17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.841 5.580 14.943 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.873 6.155 16.321 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.378 4.694 15.435 1.00 0.00 H new ATOM 1036 N LYS A 74 -12.991 3.192 20.298 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.557 2.275 21.328 1.00 0.00 C ATOM 1038 C LYS A 74 -15.105 2.431 21.485 1.00 0.00 C ATOM 1039 O LYS A 74 -15.599 3.389 22.083 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.755 2.496 22.639 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.022 1.440 23.736 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.174 1.675 25.004 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.394 0.634 26.118 1.00 0.00 C ATOM 1044 NZ LYS A 74 -13.709 0.791 26.775 1.00 0.00 N ATOM 0 H LYS A 74 -12.483 3.986 20.687 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.443 1.236 21.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.691 2.497 22.404 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.995 3.483 23.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.079 1.457 24.002 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.809 0.447 23.339 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.120 1.675 24.727 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.400 2.665 25.399 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.317 -0.368 25.697 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.604 0.728 26.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.814 0.070 27.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.774 1.738 27.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.465 0.675 26.070 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.853 1.480 20.904 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.321 1.625 20.689 1.00 0.00 C ATOM 1059 C GLY A 75 -17.800 2.173 19.317 1.00 0.00 C ATOM 1060 O GLY A 75 -18.852 2.814 19.254 1.00 0.00 O ATOM 0 H GLY A 75 -15.473 0.594 20.570 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.780 0.648 20.838 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.710 2.282 21.467 1.00 0.00 H new ATOM 1064 N THR A 76 -17.094 1.860 18.217 1.00 0.00 N ATOM 1065 CA THR A 76 -17.604 2.067 16.830 1.00 0.00 C ATOM 1066 C THR A 76 -18.642 0.976 16.399 1.00 0.00 C ATOM 1067 O THR A 76 -18.491 -0.210 16.706 1.00 0.00 O ATOM 1068 CB THR A 76 -16.410 2.194 15.832 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.888 2.581 14.553 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.535 0.949 15.597 1.00 0.00 C ATOM 0 H THR A 76 -16.157 1.458 18.252 1.00 0.00 H new ATOM 0 HA THR A 76 -18.157 3.006 16.811 1.00 0.00 H new ATOM 0 HB THR A 76 -15.775 2.929 16.326 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.134 2.661 13.932 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.748 1.187 14.882 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.086 0.637 16.540 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.151 0.141 15.203 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.669 1.371 15.624 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.618 0.403 14.980 1.00 0.00 C ATOM 1080 C LYS A 77 -20.105 -0.427 13.744 1.00 0.00 C ATOM 1081 O LYS A 77 -20.890 -1.183 13.163 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.968 1.134 14.712 1.00 0.00 C ATOM 1083 CG LYS A 77 -21.958 2.312 13.703 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.254 3.151 13.649 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.505 2.455 13.086 1.00 0.00 C ATOM 1086 NZ LYS A 77 -24.408 2.241 11.627 1.00 0.00 N ATOM 0 H LYS A 77 -19.875 2.349 15.420 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.744 -0.402 15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.686 0.394 14.358 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.341 1.510 15.664 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.128 2.973 13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.762 1.914 12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.480 3.493 14.659 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.059 4.039 13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.642 1.496 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.386 3.058 13.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.363 2.162 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.913 3.045 11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.879 1.366 11.439 1.00 0.00 H new ATOM 1099 N MET A 78 -18.812 -0.355 13.363 1.00 0.00 N ATOM 1100 CA MET A 78 -18.235 -1.195 12.282 1.00 0.00 C ATOM 1101 C MET A 78 -17.954 -2.658 12.756 1.00 0.00 C ATOM 1102 O MET A 78 -16.998 -2.918 13.494 1.00 0.00 O ATOM 1103 CB MET A 78 -16.972 -0.485 11.721 1.00 0.00 C ATOM 1104 CG MET A 78 -16.342 -1.231 10.529 1.00 0.00 C ATOM 1105 SD MET A 78 -15.579 -0.076 9.330 1.00 0.00 S ATOM 1106 CE MET A 78 -13.874 -0.720 9.472 1.00 0.00 C ATOM 0 H MET A 78 -18.139 0.281 13.790 1.00 0.00 H new ATOM 0 HA MET A 78 -18.962 -1.299 11.476 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.238 0.526 11.411 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.232 -0.390 12.516 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.587 -1.927 10.894 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.106 -1.824 10.027 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.215 -0.154 8.814 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.532 -0.619 10.502 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.857 -1.771 9.185 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.756 -3.618 12.260 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.519 -5.066 12.498 1.00 0.00 C ATOM 1118 C ALA A 79 -17.436 -5.666 11.538 1.00 0.00 C ATOM 1119 O ALA A 79 -17.729 -6.342 10.547 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.896 -5.753 12.409 1.00 0.00 C ATOM 0 H ALA A 79 -19.578 -3.423 11.689 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.090 -5.239 13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.780 -6.824 12.577 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.560 -5.337 13.167 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.323 -5.585 11.420 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.163 -5.392 11.863 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.990 -5.845 11.073 1.00 0.00 C ATOM 1128 C PHE A 80 -13.824 -6.161 12.062 1.00 0.00 C ATOM 1129 O PHE A 80 -13.457 -5.329 12.899 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.628 -4.747 10.028 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.565 -5.161 8.997 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.917 -5.972 7.913 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.231 -4.772 9.158 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.945 -6.405 7.014 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.260 -5.203 8.257 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.616 -6.030 7.194 1.00 0.00 C ATOM 0 H PHE A 80 -15.909 -4.846 12.686 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.204 -6.756 10.514 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.535 -4.458 9.497 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.274 -3.863 10.559 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.947 -6.264 7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.953 -4.135 9.984 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.222 -7.031 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.232 -4.896 8.382 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.859 -6.381 6.508 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.219 -7.355 11.954 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.084 -7.757 12.829 1.00 0.00 C ATOM 1148 C ALA A 81 -10.721 -7.064 12.500 1.00 0.00 C ATOM 1149 O ALA A 81 -10.140 -6.422 13.380 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.018 -9.298 12.810 1.00 0.00 C ATOM 0 H ALA A 81 -13.490 -8.064 11.273 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.273 -7.400 13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.196 -9.635 13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.956 -9.707 13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.856 -9.643 11.789 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.215 -7.186 11.259 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.921 -6.574 10.871 1.00 0.00 C ATOM 1158 C GLY A 82 -8.305 -7.101 9.559 1.00 0.00 C ATOM 1159 O GLY A 82 -8.502 -8.250 9.155 1.00 0.00 O ATOM 0 H GLY A 82 -10.676 -7.699 10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.061 -5.497 10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.206 -6.735 11.678 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.476 -6.254 8.939 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.532 -6.663 7.866 1.00 0.00 C ATOM 1165 C LEU A 83 -5.106 -6.844 8.509 1.00 0.00 C ATOM 1166 O LEU A 83 -4.427 -5.826 8.709 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.530 -5.589 6.736 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.804 -5.412 5.869 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.618 -4.240 4.888 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.172 -6.675 5.073 1.00 0.00 C ATOM 0 H LEU A 83 -7.433 -5.259 9.160 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.835 -7.608 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.308 -4.626 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.703 -5.819 6.064 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.621 -5.209 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.518 -4.125 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.436 -3.322 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.768 -4.442 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.072 -6.487 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.352 -6.936 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.354 -7.499 5.762 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.599 -8.066 8.865 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.306 -8.222 9.601 1.00 0.00 C ATOM 1184 C PRO A 84 -1.983 -7.891 8.833 1.00 0.00 C ATOM 1185 O PRO A 84 -1.065 -7.317 9.428 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.391 -9.675 10.111 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.305 -10.398 9.120 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.334 -9.341 8.719 1.00 0.00 C ATOM 0 HA PRO A 84 -3.217 -7.469 10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.405 -10.138 10.146 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.798 -9.714 11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.748 -10.760 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.782 -11.265 9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.682 -9.488 7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.213 -9.373 9.363 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.896 -8.190 7.526 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.752 -7.785 6.667 1.00 0.00 C ATOM 1198 C LYS A 85 -0.790 -6.265 6.308 1.00 0.00 C ATOM 1199 O LYS A 85 -1.791 -5.741 5.803 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.771 -8.633 5.365 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.474 -10.143 5.530 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.562 -10.953 4.214 1.00 0.00 C ATOM 1203 CE LYS A 85 0.504 -10.668 3.136 1.00 0.00 C ATOM 1204 NZ LYS A 85 1.841 -11.147 3.542 1.00 0.00 N ATOM 0 H LYS A 85 -2.612 -8.719 7.028 1.00 0.00 H new ATOM 0 HA LYS A 85 0.167 -7.962 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.751 -8.525 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.041 -8.214 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.524 -10.262 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.176 -10.564 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.512 -12.012 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.543 -10.776 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.214 -11.150 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.546 -9.596 2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.528 -10.936 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.130 -10.668 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.808 -12.174 3.703 1.00 0.00 H new ATOM 1217 N ILE A 86 0.353 -5.581 6.498 1.00 0.00 N ATOM 1218 CA ILE A 86 0.601 -4.213 5.936 1.00 0.00 C ATOM 1219 C ILE A 86 0.339 -4.047 4.398 1.00 0.00 C ATOM 1220 O ILE A 86 -0.295 -3.065 4.010 1.00 0.00 O ATOM 1221 CB ILE A 86 2.008 -3.694 6.393 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.290 -2.199 6.066 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.203 -4.538 5.865 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.385 -1.176 6.770 1.00 0.00 C ATOM 0 H ILE A 86 1.136 -5.947 7.041 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.167 -3.567 6.363 1.00 0.00 H new ATOM 0 HB ILE A 86 1.941 -3.806 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.325 -1.979 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.195 -2.059 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.138 -4.111 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.110 -5.564 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.199 -4.532 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.671 -0.169 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.347 -1.357 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.494 -1.276 7.850 1.00 0.00 H new ATOM 1236 N GLU A 87 0.767 -5.004 3.547 1.00 0.00 N ATOM 1237 CA GLU A 87 0.421 -5.024 2.096 1.00 0.00 C ATOM 1238 C GLU A 87 -1.094 -4.945 1.740 1.00 0.00 C ATOM 1239 O GLU A 87 -1.457 -4.101 0.923 1.00 0.00 O ATOM 1240 CB GLU A 87 1.116 -6.227 1.388 1.00 0.00 C ATOM 1241 CG GLU A 87 2.561 -5.958 0.899 1.00 0.00 C ATOM 1242 CD GLU A 87 2.639 -4.826 -0.127 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.457 -4.977 -1.332 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.883 -3.623 0.471 1.00 0.00 O ATOM 0 H GLU A 87 1.359 -5.783 3.837 1.00 0.00 H new ATOM 0 HA GLU A 87 0.813 -4.083 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.134 -7.072 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.509 -6.525 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.189 -5.710 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.966 -6.869 0.459 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.985 -5.743 2.361 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.463 -5.551 2.210 1.00 0.00 C ATOM 1253 C ASP A 88 -4.004 -4.130 2.598 1.00 0.00 C ATOM 1254 O ASP A 88 -4.816 -3.562 1.864 1.00 0.00 O ATOM 1255 CB ASP A 88 -4.229 -6.662 2.981 1.00 0.00 C ATOM 1256 CG ASP A 88 -4.029 -8.101 2.503 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -4.393 -8.276 1.204 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -3.599 -9.000 3.216 1.00 0.00 O ATOM 0 H ASP A 88 -1.724 -6.521 2.967 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.652 -5.630 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.937 -6.610 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.294 -6.434 2.935 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.516 -3.546 3.707 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.803 -2.134 4.090 1.00 0.00 C ATOM 1265 C ARG A 89 -3.212 -1.065 3.107 1.00 0.00 C ATOM 1266 O ARG A 89 -3.971 -0.248 2.582 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.350 -1.893 5.562 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.892 -2.891 6.620 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.709 -2.491 8.092 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.280 -2.378 8.509 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.559 -3.337 9.083 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.969 -4.566 9.237 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.375 -3.024 9.513 1.00 0.00 N ATOM 0 H ARG A 89 -2.911 -4.032 4.369 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.881 -1.995 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.261 -1.919 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.653 -0.887 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.956 -3.040 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.404 -3.853 6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.205 -1.536 8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.206 -3.227 8.724 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.815 -1.486 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.895 -4.840 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.364 -5.253 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.029 -2.071 9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.209 -3.731 9.959 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.893 -1.088 2.826 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.249 -0.223 1.799 1.00 0.00 C ATOM 1289 C ALA A 90 -1.804 -0.330 0.341 1.00 0.00 C ATOM 1290 O ALA A 90 -2.089 0.705 -0.267 1.00 0.00 O ATOM 1291 CB ALA A 90 0.263 -0.516 1.871 1.00 0.00 C ATOM 0 H ALA A 90 -1.237 -1.707 3.303 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.488 0.813 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.787 0.094 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.632 -0.279 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.440 -1.571 1.660 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.020 -1.547 -0.201 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.723 -1.750 -1.503 1.00 0.00 C ATOM 1299 C ASN A 91 -4.178 -1.172 -1.549 1.00 0.00 C ATOM 1300 O ASN A 91 -4.504 -0.430 -2.482 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.680 -3.259 -1.880 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.300 -3.879 -2.164 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.306 -3.216 -2.434 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.191 -5.183 -2.121 1.00 0.00 N ATOM 0 H ASN A 91 -1.718 -2.415 0.241 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.185 -1.169 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.142 -3.822 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.302 -3.403 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.292 -5.626 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.005 -5.756 -1.898 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.030 -1.442 -0.534 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.337 -0.741 -0.367 1.00 0.00 C ATOM 1313 C LEU A 92 -6.256 0.817 -0.228 1.00 0.00 C ATOM 1314 O LEU A 92 -7.037 1.512 -0.876 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.111 -1.441 0.786 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.605 -1.034 0.935 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.478 -2.216 1.375 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.789 0.105 1.949 1.00 0.00 C ATOM 0 H LEU A 92 -4.841 -2.140 0.186 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.894 -0.838 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.060 -2.519 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.599 -1.228 1.725 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.920 -0.697 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.514 -1.889 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.413 -3.012 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.128 -2.588 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.846 0.359 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.423 -0.214 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.228 0.980 1.619 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.328 1.377 0.569 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.133 2.857 0.698 1.00 0.00 C ATOM 1332 C ILE A 93 -4.563 3.552 -0.602 1.00 0.00 C ATOM 1333 O ILE A 93 -4.937 4.698 -0.876 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.363 3.128 2.042 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.197 2.717 3.302 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.905 4.601 2.210 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.394 2.554 4.603 1.00 0.00 C ATOM 0 H ILE A 93 -4.688 0.830 1.145 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.097 3.360 0.770 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.475 2.500 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.971 3.467 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.705 1.776 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.381 4.713 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.236 4.870 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.776 5.257 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.066 2.269 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.638 1.780 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.908 3.497 4.851 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.728 2.897 -1.437 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.567 3.273 -2.874 1.00 0.00 C ATOM 1351 C ALA A 94 -4.877 3.281 -3.730 1.00 0.00 C ATOM 1352 O ALA A 94 -5.118 4.256 -4.448 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.489 2.363 -3.486 1.00 0.00 C ATOM 0 H ALA A 94 -3.152 2.106 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.263 4.319 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.352 2.617 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.549 2.504 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.801 1.322 -3.402 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.736 2.243 -3.640 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.090 2.263 -4.270 1.00 0.00 C ATOM 1361 C TYR A 95 -8.053 3.383 -3.739 1.00 0.00 C ATOM 1362 O TYR A 95 -8.668 4.060 -4.560 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.690 0.831 -4.185 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.028 0.634 -4.918 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.073 0.641 -6.316 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.216 0.481 -4.193 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.290 0.505 -6.979 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.431 0.339 -4.860 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.465 0.349 -6.252 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.649 0.203 -6.922 1.00 0.00 O ATOM 0 H TYR A 95 -5.524 1.379 -3.140 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.971 2.546 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.965 0.126 -4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.829 0.575 -3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.161 0.752 -6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.190 0.473 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.321 0.521 -8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.346 0.221 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.261 -0.346 -6.389 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.159 3.618 -2.416 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.873 4.805 -1.850 1.00 0.00 C ATOM 1382 C LEU A 96 -8.348 6.210 -2.320 1.00 0.00 C ATOM 1383 O LEU A 96 -9.159 7.088 -2.618 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.895 4.725 -0.297 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.570 3.509 0.391 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.372 3.606 1.916 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.067 3.403 0.064 1.00 0.00 C ATOM 0 H LEU A 96 -7.760 3.003 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.882 4.743 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.862 4.765 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.388 5.625 0.070 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.094 2.608 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.846 2.752 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.306 3.607 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.823 4.528 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.490 2.535 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.578 4.305 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.197 3.293 -1.013 1.00 0.00 H new ATOM 1399 N GLU A 97 -7.021 6.421 -2.437 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.432 7.591 -3.161 1.00 0.00 C ATOM 1401 C GLU A 97 -6.814 7.710 -4.680 1.00 0.00 C ATOM 1402 O GLU A 97 -7.177 8.804 -5.120 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.892 7.555 -2.952 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.421 7.850 -1.506 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.958 7.515 -1.245 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.782 6.188 -0.969 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.055 8.346 -1.270 1.00 0.00 O ATOM 0 H GLU A 97 -6.322 5.795 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.869 8.492 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.524 6.572 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.432 8.281 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.584 8.906 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.041 7.284 -0.811 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.799 6.609 -5.463 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.472 6.568 -6.798 1.00 0.00 C ATOM 1416 C GLY A 98 -9.027 6.510 -6.890 1.00 0.00 C ATOM 1417 O GLY A 98 -9.554 6.394 -7.998 1.00 0.00 O ATOM 0 H GLY A 98 -6.334 5.739 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.148 7.450 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.084 5.699 -7.329 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.758 6.603 -5.770 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.236 6.762 -5.732 1.00 0.00 C ATOM 1423 C GLN A 99 -11.540 8.015 -4.853 1.00 0.00 C ATOM 1424 O GLN A 99 -11.849 7.924 -3.661 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.885 5.470 -5.169 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.694 4.157 -5.974 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.446 4.062 -7.303 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.567 3.572 -7.384 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.860 4.510 -8.388 1.00 0.00 N ATOM 0 H GLN A 99 -9.338 6.570 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.656 6.913 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.493 5.308 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.955 5.649 -5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.630 4.029 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.003 3.322 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.928 4.920 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.337 4.449 -9.288 1.00 0.00 H new ATOM 1438 N GLN A 100 -11.392 9.194 -5.464 1.00 0.00 N ATOM 1439 CA GLN A 100 -11.465 10.501 -4.758 1.00 0.00 C ATOM 1440 C GLN A 100 -12.850 11.195 -4.891 1.00 0.00 C ATOM 1441 O GLN A 100 -13.232 11.910 -3.935 1.00 0.00 O ATOM 1442 CB GLN A 100 -10.264 11.361 -5.243 1.00 0.00 C ATOM 1443 CG GLN A 100 -9.847 12.539 -4.316 1.00 0.00 C ATOM 1444 CD GLN A 100 -10.444 13.918 -4.624 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -9.790 14.797 -5.175 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -11.676 14.180 -4.264 1.00 0.00 N ATOM 1447 OXT GLN A 100 -13.560 11.053 -5.916 1.00 0.00 O ATOM 0 H GLN A 100 -11.217 9.282 -6.465 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.380 10.352 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.403 10.705 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.507 11.767 -6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.116 12.275 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.761 12.626 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.237 13.462 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.075 15.102 -4.443 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.325 -0.054 7.355 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.784 2.907 9.034 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.412 1.510 6.284 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.409 -2.966 6.142 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.155 -1.279 8.145 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.288 1.629 7.725 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.636 2.720 8.379 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.782 3.779 8.346 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.786 3.353 7.591 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.179 2.116 7.191 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.522 4.171 7.255 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.856 5.208 8.957 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.162 6.303 7.900 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.780 7.618 8.403 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.610 7.984 9.589 1.00 0.00 O HETATM 1472 O2A HEC A 101 -16.425 8.311 7.586 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.806 -0.546 6.384 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.698 0.154 5.823 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.909 -0.583 4.947 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.376 -1.879 5.012 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.483 -1.843 5.886 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.762 -0.076 4.062 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.874 -3.075 4.167 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.468 -3.540 4.577 1.00 0.00 C HETATM 1481 NC HEC A 101 -17.009 -1.790 7.373 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.584 -2.856 6.774 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.467 -3.882 6.749 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.589 -3.378 7.267 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.243 -2.112 7.614 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.346 -5.313 6.202 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.983 -4.076 7.283 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.057 -5.399 8.063 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.724 0.752 8.208 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.933 0.121 8.546 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.760 0.860 9.405 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.082 2.028 9.687 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.875 1.934 8.982 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.131 0.446 9.954 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.519 3.161 10.627 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.762 3.139 11.976 1.00 0.00 C HETATM 1497 CGD HEC A 101 -18.704 4.501 12.651 1.00 0.00 C HETATM 1498 O1D HEC A 101 -18.064 5.395 12.063 1.00 0.00 O HETATM 1499 O2D HEC A 101 -19.266 4.690 13.752 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.819 0.279 9.126 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -21.029 -0.472 10.532 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.520 1.237 10.595 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.135 -5.277 5.133 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.536 -5.831 6.715 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.282 -5.847 6.369 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.140 0.682 3.375 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -10.983 0.358 4.689 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.347 -0.907 3.492 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.808 5.086 6.735 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -11.998 4.426 8.176 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.866 3.580 6.616 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.246 2.429 12.646 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.747 2.779 11.810 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.361 -6.117 7.629 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.792 -5.222 9.105 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.070 -5.797 8.009 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.762 -2.720 4.448 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.478 -3.850 5.622 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.166 -4.381 3.952 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -14.232 6.543 7.385 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -15.836 5.876 7.158 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.352 4.120 10.136 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.590 3.081 10.814 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.627 5.229 9.727 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.910 5.438 9.447 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.158 -1.679 8.293 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.114 -3.955 5.791 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.551 2.040 5.877 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.912 3.813 9.626 1.00 0.00 H new HETATM 0 H2D HEC A 101 -19.114 5.614 14.043 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.110 9.238 7.623 1.00 0.00 H new