USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=14 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 NoAdj-H: A 101 HEC H2D : A 101 HEC O2D : A 101 HEC CGD :(short bond) USER MOD Set 1.1: A 50 MET CE :methyl 161:sc=-0.00548 (180deg=-0.389) USER MOD Set 1.2: A 76 THR OG1 : rot 76:sc= 0.142 USER MOD Set 2.1: A 46 TYR OH : rot -137:sc= 0.275 USER MOD Set 2.2: A 101 HEC O2A : rot 94:sc= 0.396 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00924) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0.949 (180deg=0.848) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.03 K(o=0.03,f=-5.1!) USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.728 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 63:sc= 1.43 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.0584 K(o=0.058,f=-0.47) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.818 K(o=0.82,f=-6.6!) USER MOD Single : A 67 THR OG1 : rot 55:sc= 1.25 USER MOD Single : A 68 ASN : amide:sc= -0.0345 K(o=-0.034,f=-2.3!) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.13) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= 0.299 (180deg=-0.441) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= 1.07 (180deg=0.574) 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= 0.126 K(o=0.13,f=-3.9!) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 100 GLN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.246 -2.495 -0.502 1.00 0.00 N ATOM 2 CA MET A 1 3.341 -2.810 -1.640 1.00 0.00 C ATOM 3 C MET A 1 2.238 -1.717 -1.761 1.00 0.00 C ATOM 4 O MET A 1 1.427 -1.548 -0.847 1.00 0.00 O ATOM 5 CB MET A 1 2.710 -4.219 -1.476 1.00 0.00 C ATOM 6 CG MET A 1 3.680 -5.416 -1.460 1.00 0.00 C ATOM 7 SD MET A 1 4.493 -5.589 -3.061 1.00 0.00 S ATOM 8 CE MET A 1 5.457 -7.078 -2.746 1.00 0.00 C ATOM 0 H1 MET A 1 5.009 -3.201 -0.459 1.00 0.00 H new ATOM 0 H2 MET A 1 4.657 -1.549 -0.637 1.00 0.00 H new ATOM 0 H3 MET A 1 3.706 -2.515 0.387 1.00 0.00 H new ATOM 0 HA MET A 1 3.928 -2.817 -2.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.141 -4.230 -0.547 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.998 -4.369 -2.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.427 -5.276 -0.679 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.136 -6.330 -1.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.029 -7.336 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.140 -6.900 -1.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.786 -7.899 -2.495 1.00 0.00 H new ATOM 19 N ALA A 2 2.195 -0.985 -2.888 1.00 0.00 N ATOM 20 CA ALA A 2 1.139 0.035 -3.148 1.00 0.00 C ATOM 21 C ALA A 2 0.474 -0.187 -4.543 1.00 0.00 C ATOM 22 O ALA A 2 0.756 0.523 -5.513 1.00 0.00 O ATOM 23 CB ALA A 2 1.802 1.418 -2.970 1.00 0.00 C ATOM 0 H ALA A 2 2.877 -1.074 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 2 0.310 -0.046 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.065 2.201 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.186 1.509 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.623 1.522 -3.679 1.00 0.00 H new ATOM 29 N ASP A 3 -0.415 -1.193 -4.640 1.00 0.00 N ATOM 30 CA ASP A 3 -0.962 -1.672 -5.933 1.00 0.00 C ATOM 31 C ASP A 3 -2.513 -1.425 -6.004 1.00 0.00 C ATOM 32 O ASP A 3 -3.255 -2.218 -5.411 1.00 0.00 O ATOM 33 CB ASP A 3 -0.583 -3.177 -6.014 1.00 0.00 C ATOM 34 CG ASP A 3 0.889 -3.480 -6.298 1.00 0.00 C ATOM 35 OD1 ASP A 3 1.179 -3.426 -7.627 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.714 -3.737 -5.428 1.00 0.00 O ATOM 0 H ASP A 3 -0.776 -1.698 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.550 -1.134 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.857 -3.652 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.187 -3.643 -6.793 1.00 0.00 H new ATOM 41 N PRO A 4 -3.065 -0.396 -6.724 1.00 0.00 N ATOM 42 CA PRO A 4 -4.537 -0.137 -6.782 1.00 0.00 C ATOM 43 C PRO A 4 -5.492 -1.247 -7.328 1.00 0.00 C ATOM 44 O PRO A 4 -6.593 -1.405 -6.800 1.00 0.00 O ATOM 45 CB PRO A 4 -4.628 1.171 -7.592 1.00 0.00 C ATOM 46 CG PRO A 4 -3.279 1.856 -7.380 1.00 0.00 C ATOM 47 CD PRO A 4 -2.282 0.698 -7.333 1.00 0.00 C ATOM 0 HA PRO A 4 -4.920 -0.095 -5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.808 0.971 -8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.449 1.797 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.050 2.547 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.265 2.433 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.926 0.433 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.404 0.946 -6.736 1.00 0.00 H new ATOM 55 N ALA A 5 -5.077 -2.027 -8.344 1.00 0.00 N ATOM 56 CA ALA A 5 -5.830 -3.233 -8.802 1.00 0.00 C ATOM 57 C ALA A 5 -5.960 -4.395 -7.756 1.00 0.00 C ATOM 58 O ALA A 5 -7.067 -4.890 -7.525 1.00 0.00 O ATOM 59 CB ALA A 5 -5.187 -3.693 -10.125 1.00 0.00 C ATOM 0 H ALA A 5 -4.222 -1.851 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.872 -2.945 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.709 -4.575 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.258 -2.893 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.138 -3.937 -9.954 1.00 0.00 H new ATOM 65 N ALA A 6 -4.861 -4.775 -7.072 1.00 0.00 N ATOM 66 CA ALA A 6 -4.933 -5.570 -5.814 1.00 0.00 C ATOM 67 C ALA A 6 -5.708 -4.908 -4.623 1.00 0.00 C ATOM 68 O ALA A 6 -6.473 -5.598 -3.947 1.00 0.00 O ATOM 69 CB ALA A 6 -3.489 -5.947 -5.440 1.00 0.00 C ATOM 0 H ALA A 6 -3.911 -4.548 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.544 -6.451 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.492 -6.533 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.047 -6.536 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.903 -5.040 -5.290 1.00 0.00 H new ATOM 75 N GLY A 7 -5.578 -3.586 -4.402 1.00 0.00 N ATOM 76 CA GLY A 7 -6.506 -2.809 -3.534 1.00 0.00 C ATOM 77 C GLY A 7 -8.023 -2.837 -3.835 1.00 0.00 C ATOM 78 O GLY A 7 -8.807 -2.897 -2.891 1.00 0.00 O ATOM 0 H GLY A 7 -4.834 -3.022 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.368 -3.159 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.185 -1.768 -3.561 1.00 0.00 H new ATOM 82 N GLU A 8 -8.440 -2.845 -5.113 1.00 0.00 N ATOM 83 CA GLU A 8 -9.828 -3.219 -5.526 1.00 0.00 C ATOM 84 C GLU A 8 -10.270 -4.663 -5.086 1.00 0.00 C ATOM 85 O GLU A 8 -11.354 -4.820 -4.520 1.00 0.00 O ATOM 86 CB GLU A 8 -9.965 -2.992 -7.063 1.00 0.00 C ATOM 87 CG GLU A 8 -11.386 -2.692 -7.609 1.00 0.00 C ATOM 88 CD GLU A 8 -12.475 -3.739 -7.377 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.559 -4.790 -8.004 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.345 -3.367 -6.394 1.00 0.00 O ATOM 0 H GLU A 8 -7.836 -2.595 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.523 -2.570 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.314 -2.164 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.588 -3.880 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.723 -1.754 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.304 -2.527 -8.683 1.00 0.00 H new ATOM 97 N LYS A 9 -9.430 -5.700 -5.286 1.00 0.00 N ATOM 98 CA LYS A 9 -9.639 -7.055 -4.689 1.00 0.00 C ATOM 99 C LYS A 9 -9.713 -7.098 -3.119 1.00 0.00 C ATOM 100 O LYS A 9 -10.629 -7.724 -2.581 1.00 0.00 O ATOM 101 CB LYS A 9 -8.574 -8.045 -5.240 1.00 0.00 C ATOM 102 CG LYS A 9 -8.559 -8.234 -6.779 1.00 0.00 C ATOM 103 CD LYS A 9 -7.675 -9.396 -7.279 1.00 0.00 C ATOM 104 CE LYS A 9 -6.165 -9.123 -7.165 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.396 -10.259 -7.706 1.00 0.00 N ATOM 0 H LYS A 9 -8.590 -5.633 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.636 -7.365 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.589 -7.701 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.735 -9.018 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.581 -8.400 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.215 -7.309 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.916 -10.294 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.919 -9.603 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.911 -8.212 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.896 -8.958 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.379 -10.061 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.626 -11.120 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.640 -10.398 -8.707 1.00 0.00 H new ATOM 118 N VAL A 10 -8.824 -6.391 -2.386 1.00 0.00 N ATOM 119 CA VAL A 10 -8.989 -6.130 -0.913 1.00 0.00 C ATOM 120 C VAL A 10 -10.304 -5.324 -0.557 1.00 0.00 C ATOM 121 O VAL A 10 -11.000 -5.697 0.393 1.00 0.00 O ATOM 122 CB VAL A 10 -7.683 -5.506 -0.294 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.751 -5.354 1.245 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.374 -6.294 -0.564 1.00 0.00 C ATOM 0 H VAL A 10 -7.976 -5.983 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.133 -7.099 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.647 -4.543 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.820 -4.918 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.584 -4.703 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.896 -6.333 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.536 -5.779 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.461 -7.298 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.204 -6.359 -1.639 1.00 0.00 H new ATOM 134 N PHE A 11 -10.694 -4.290 -1.337 1.00 0.00 N ATOM 135 CA PHE A 11 -12.061 -3.680 -1.291 1.00 0.00 C ATOM 136 C PHE A 11 -13.286 -4.641 -1.547 1.00 0.00 C ATOM 137 O PHE A 11 -14.395 -4.303 -1.129 1.00 0.00 O ATOM 138 CB PHE A 11 -12.074 -2.428 -2.225 1.00 0.00 C ATOM 139 CG PHE A 11 -13.126 -1.357 -1.875 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.445 -1.483 -2.324 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.781 -0.263 -1.075 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.419 -0.574 -1.915 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.750 0.661 -0.691 1.00 0.00 C ATOM 144 CZ PHE A 11 -15.072 0.490 -1.089 1.00 0.00 C ATOM 0 H PHE A 11 -10.077 -3.849 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.229 -3.398 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.087 -1.966 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.245 -2.761 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.710 -2.290 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.758 -0.134 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.442 -0.696 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.475 1.511 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.830 1.184 -0.756 1.00 0.00 H new ATOM 154 N GLY A 12 -13.113 -5.853 -2.118 1.00 0.00 N ATOM 155 CA GLY A 12 -14.073 -6.988 -1.956 1.00 0.00 C ATOM 156 C GLY A 12 -14.685 -7.270 -0.555 1.00 0.00 C ATOM 157 O GLY A 12 -15.888 -7.512 -0.444 1.00 0.00 O ATOM 0 H GLY A 12 -12.310 -6.081 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.899 -6.820 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.565 -7.896 -2.281 1.00 0.00 H new ATOM 161 N LYS A 13 -13.868 -7.175 0.507 1.00 0.00 N ATOM 162 CA LYS A 13 -14.359 -7.096 1.918 1.00 0.00 C ATOM 163 C LYS A 13 -15.212 -5.835 2.308 1.00 0.00 C ATOM 164 O LYS A 13 -16.129 -5.937 3.125 1.00 0.00 O ATOM 165 CB LYS A 13 -13.124 -7.216 2.858 1.00 0.00 C ATOM 166 CG LYS A 13 -12.391 -8.580 2.858 1.00 0.00 C ATOM 167 CD LYS A 13 -11.046 -8.518 3.612 1.00 0.00 C ATOM 168 CE LYS A 13 -10.254 -9.837 3.638 1.00 0.00 C ATOM 169 NZ LYS A 13 -10.863 -10.830 4.545 1.00 0.00 N ATOM 0 H LYS A 13 -12.851 -7.150 0.427 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.066 -7.918 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.407 -6.443 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.447 -7.001 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.030 -9.334 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.215 -8.896 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.425 -7.748 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.236 -8.206 4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.203 -10.249 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.230 -9.639 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.299 -11.703 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.888 -10.448 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.832 -11.039 4.230 1.00 0.00 H new ATOM 182 N CYS A 14 -14.887 -4.661 1.751 1.00 0.00 N ATOM 183 CA CYS A 14 -15.586 -3.378 2.035 1.00 0.00 C ATOM 184 C CYS A 14 -16.910 -3.131 1.231 1.00 0.00 C ATOM 185 O CYS A 14 -17.885 -2.654 1.818 1.00 0.00 O ATOM 186 CB CYS A 14 -14.574 -2.222 1.834 1.00 0.00 C ATOM 187 SG CYS A 14 -12.857 -2.610 2.306 1.00 0.00 S ATOM 0 H CYS A 14 -14.124 -4.563 1.081 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.931 -3.429 3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.588 -1.925 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.909 -1.362 2.414 1.00 0.00 H new ATOM 192 N LYS A 15 -16.957 -3.446 -0.084 1.00 0.00 N ATOM 193 CA LYS A 15 -18.150 -3.226 -0.965 1.00 0.00 C ATOM 194 C LYS A 15 -19.535 -3.829 -0.554 1.00 0.00 C ATOM 195 O LYS A 15 -20.566 -3.250 -0.907 1.00 0.00 O ATOM 196 CB LYS A 15 -17.789 -3.576 -2.437 1.00 0.00 C ATOM 197 CG LYS A 15 -17.452 -5.054 -2.759 1.00 0.00 C ATOM 198 CD LYS A 15 -17.122 -5.342 -4.239 1.00 0.00 C ATOM 199 CE LYS A 15 -15.832 -4.676 -4.756 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.511 -5.165 -6.110 1.00 0.00 N ATOM 0 H LYS A 15 -16.167 -3.864 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.351 -2.163 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.625 -3.276 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.935 -2.965 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.603 -5.358 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.297 -5.676 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.037 -6.420 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.958 -5.009 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.955 -3.593 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.006 -4.892 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.721 -4.613 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.241 -6.168 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.344 -5.059 -6.724 1.00 0.00 H new ATOM 213 N ALA A 16 -19.577 -4.936 0.211 1.00 0.00 N ATOM 214 CA ALA A 16 -20.813 -5.385 0.912 1.00 0.00 C ATOM 215 C ALA A 16 -21.490 -4.367 1.900 1.00 0.00 C ATOM 216 O ALA A 16 -22.720 -4.347 1.991 1.00 0.00 O ATOM 217 CB ALA A 16 -20.450 -6.708 1.613 1.00 0.00 C ATOM 0 H ALA A 16 -18.772 -5.543 0.365 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.593 -5.496 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.321 -7.088 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.133 -7.439 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.639 -6.535 2.320 1.00 0.00 H new ATOM 223 N CYS A 17 -20.708 -3.532 2.613 1.00 0.00 N ATOM 224 CA CYS A 17 -21.241 -2.422 3.448 1.00 0.00 C ATOM 225 C CYS A 17 -21.081 -0.972 2.864 1.00 0.00 C ATOM 226 O CYS A 17 -21.979 -0.145 3.058 1.00 0.00 O ATOM 227 CB CYS A 17 -20.559 -2.526 4.827 1.00 0.00 C ATOM 228 SG CYS A 17 -20.712 -4.178 5.575 1.00 0.00 S ATOM 0 H CYS A 17 -19.691 -3.603 2.630 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.322 -2.553 3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.503 -2.277 4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.996 -1.787 5.499 1.00 0.00 H new ATOM 233 N HIS A 18 -19.938 -0.641 2.228 1.00 0.00 N ATOM 234 CA HIS A 18 -19.547 0.744 1.856 1.00 0.00 C ATOM 235 C HIS A 18 -19.606 0.962 0.312 1.00 0.00 C ATOM 236 O HIS A 18 -19.039 0.203 -0.481 1.00 0.00 O ATOM 237 CB HIS A 18 -18.096 0.988 2.344 1.00 0.00 C ATOM 238 CG HIS A 18 -17.934 1.246 3.838 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.887 2.508 4.368 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.548 0.314 4.802 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.395 2.255 5.606 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.245 0.938 6.024 1.00 0.00 N ATOM 0 H HIS A 18 -19.246 -1.337 1.952 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.244 1.441 2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.492 0.121 2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.688 1.841 1.801 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.151 3.398 3.945 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.490 -0.751 4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.122 3.069 6.261 1.00 0.00 H new ATOM 250 N LYS A 19 -20.261 2.054 -0.098 1.00 0.00 N ATOM 251 CA LYS A 19 -20.609 2.303 -1.527 1.00 0.00 C ATOM 252 C LYS A 19 -19.743 3.456 -2.139 1.00 0.00 C ATOM 253 O LYS A 19 -19.831 4.615 -1.723 1.00 0.00 O ATOM 254 CB LYS A 19 -22.129 2.615 -1.617 1.00 0.00 C ATOM 255 CG LYS A 19 -23.088 1.465 -1.214 1.00 0.00 C ATOM 256 CD LYS A 19 -24.547 1.936 -1.069 1.00 0.00 C ATOM 257 CE LYS A 19 -25.484 0.801 -0.633 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.846 1.328 -0.419 1.00 0.00 N ATOM 0 H LYS A 19 -20.569 2.792 0.535 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.387 1.413 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.340 3.476 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.358 2.910 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.038 0.675 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.754 1.032 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.595 2.744 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.891 2.344 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.502 0.020 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.113 0.344 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.475 0.554 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.824 2.058 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -27.200 1.744 -1.304 1.00 0.00 H new ATOM 271 N LEU A 20 -18.944 3.141 -3.174 1.00 0.00 N ATOM 272 CA LEU A 20 -18.093 4.145 -3.897 1.00 0.00 C ATOM 273 C LEU A 20 -18.808 5.131 -4.887 1.00 0.00 C ATOM 274 O LEU A 20 -18.160 6.067 -5.359 1.00 0.00 O ATOM 275 CB LEU A 20 -16.975 3.372 -4.658 1.00 0.00 C ATOM 276 CG LEU A 20 -15.908 2.646 -3.801 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.062 1.718 -4.684 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.981 3.625 -3.058 1.00 0.00 C ATOM 0 H LEU A 20 -18.859 2.194 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.719 4.804 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.453 2.632 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.461 4.077 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.447 2.066 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.316 1.213 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.707 0.976 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.562 2.305 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.253 3.063 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.460 4.252 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.573 4.254 -2.393 1.00 0.00 H new ATOM 290 N ASP A 21 -20.103 4.964 -5.223 1.00 0.00 N ATOM 291 CA ASP A 21 -20.871 5.988 -6.005 1.00 0.00 C ATOM 292 C ASP A 21 -21.708 6.947 -5.085 1.00 0.00 C ATOM 293 O ASP A 21 -22.922 7.089 -5.255 1.00 0.00 O ATOM 294 CB ASP A 21 -21.717 5.237 -7.076 1.00 0.00 C ATOM 295 CG ASP A 21 -20.978 4.643 -8.282 1.00 0.00 C ATOM 296 OD1 ASP A 21 -19.821 4.013 -7.927 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.400 4.719 -9.432 1.00 0.00 O ATOM 0 H ASP A 21 -20.648 4.139 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.184 6.663 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.248 4.427 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.471 5.928 -7.452 1.00 0.00 H new ATOM 302 N GLY A 22 -21.055 7.628 -4.122 1.00 0.00 N ATOM 303 CA GLY A 22 -21.697 8.655 -3.247 1.00 0.00 C ATOM 304 C GLY A 22 -22.971 8.313 -2.426 1.00 0.00 C ATOM 305 O GLY A 22 -23.823 9.185 -2.254 1.00 0.00 O ATOM 0 H GLY A 22 -20.065 7.488 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.940 8.992 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.943 9.508 -3.880 1.00 0.00 H new ATOM 309 N ASN A 23 -23.099 7.073 -1.924 1.00 0.00 N ATOM 310 CA ASN A 23 -24.312 6.597 -1.198 1.00 0.00 C ATOM 311 C ASN A 23 -23.952 6.055 0.224 1.00 0.00 C ATOM 312 O ASN A 23 -22.967 5.337 0.419 1.00 0.00 O ATOM 313 CB ASN A 23 -25.021 5.511 -2.057 1.00 0.00 C ATOM 314 CG ASN A 23 -26.005 6.047 -3.100 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.198 6.165 -2.848 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.574 6.382 -4.291 1.00 0.00 N ATOM 0 H ASN A 23 -22.370 6.364 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.991 7.436 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.260 4.920 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.555 4.834 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.228 6.734 -4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.584 6.291 -4.519 1.00 0.00 H new ATOM 323 N ASP A 24 -24.791 6.381 1.219 1.00 0.00 N ATOM 324 CA ASP A 24 -24.588 5.944 2.630 1.00 0.00 C ATOM 325 C ASP A 24 -25.548 4.755 2.950 1.00 0.00 C ATOM 326 O ASP A 24 -26.762 4.954 3.060 1.00 0.00 O ATOM 327 CB ASP A 24 -24.822 7.168 3.557 1.00 0.00 C ATOM 328 CG ASP A 24 -23.753 8.261 3.460 1.00 0.00 C ATOM 329 OD1 ASP A 24 -22.572 8.071 3.737 1.00 0.00 O ATOM 330 OD2 ASP A 24 -24.264 9.455 3.040 1.00 0.00 O ATOM 0 H ASP A 24 -25.626 6.950 1.082 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.572 5.584 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.792 7.606 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.873 6.820 4.589 1.00 0.00 H new ATOM 335 N GLY A 25 -25.010 3.526 3.071 1.00 0.00 N ATOM 336 CA GLY A 25 -25.839 2.306 3.283 1.00 0.00 C ATOM 337 C GLY A 25 -25.649 1.679 4.675 1.00 0.00 C ATOM 338 O GLY A 25 -26.087 2.246 5.678 1.00 0.00 O ATOM 0 H GLY A 25 -24.007 3.344 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.890 2.560 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.588 1.567 2.522 1.00 0.00 H new ATOM 342 N VAL A 26 -24.984 0.514 4.739 1.00 0.00 N ATOM 343 CA VAL A 26 -24.551 -0.097 6.043 1.00 0.00 C ATOM 344 C VAL A 26 -23.311 0.657 6.642 1.00 0.00 C ATOM 345 O VAL A 26 -23.352 1.033 7.815 1.00 0.00 O ATOM 346 CB VAL A 26 -24.346 -1.650 5.937 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.964 -2.320 7.280 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.571 -2.423 5.389 1.00 0.00 C ATOM 0 H VAL A 26 -24.727 -0.034 3.918 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.365 0.035 6.755 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.522 -1.720 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.839 -3.392 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.030 -1.894 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.754 -2.146 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.341 -3.488 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.427 -2.260 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.808 -2.066 4.387 1.00 0.00 H new ATOM 358 N GLY A 27 -22.243 0.894 5.856 1.00 0.00 N ATOM 359 CA GLY A 27 -21.256 1.959 6.158 1.00 0.00 C ATOM 360 C GLY A 27 -21.371 3.233 5.259 1.00 0.00 C ATOM 361 O GLY A 27 -22.046 3.195 4.221 1.00 0.00 O ATOM 0 H GLY A 27 -22.038 0.366 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.370 2.256 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.253 1.546 6.052 1.00 0.00 H new ATOM 365 N PRO A 28 -20.703 4.378 5.587 1.00 0.00 N ATOM 366 CA PRO A 28 -20.715 5.597 4.723 1.00 0.00 C ATOM 367 C PRO A 28 -19.969 5.478 3.353 1.00 0.00 C ATOM 368 O PRO A 28 -19.259 4.507 3.079 1.00 0.00 O ATOM 369 CB PRO A 28 -20.081 6.643 5.667 1.00 0.00 C ATOM 370 CG PRO A 28 -19.179 5.842 6.602 1.00 0.00 C ATOM 371 CD PRO A 28 -19.971 4.566 6.854 1.00 0.00 C ATOM 0 HA PRO A 28 -21.718 5.838 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.510 7.384 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.845 7.185 6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.213 5.631 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.981 6.381 7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.318 3.721 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.649 4.672 7.701 1.00 0.00 H new ATOM 379 N HIS A 29 -20.102 6.488 2.479 1.00 0.00 N ATOM 380 CA HIS A 29 -19.452 6.463 1.138 1.00 0.00 C ATOM 381 C HIS A 29 -17.897 6.667 1.184 1.00 0.00 C ATOM 382 O HIS A 29 -17.406 7.750 1.524 1.00 0.00 O ATOM 383 CB HIS A 29 -20.212 7.413 0.177 1.00 0.00 C ATOM 384 CG HIS A 29 -20.171 8.924 0.408 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.217 9.633 0.979 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.189 9.799 -0.082 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.750 10.907 0.785 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.540 11.110 0.176 1.00 0.00 N ATOM 0 H HIS A 29 -20.647 7.330 2.665 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.538 5.457 0.728 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.834 7.228 -0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.260 7.112 0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.287 9.491 -0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.337 11.752 1.113 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.043 11.977 -0.028 1.00 0.00 H new ATOM 396 N LEU A 30 -17.109 5.625 0.848 1.00 0.00 N ATOM 397 CA LEU A 30 -15.609 5.713 0.844 1.00 0.00 C ATOM 398 C LEU A 30 -14.930 6.484 -0.344 1.00 0.00 C ATOM 399 O LEU A 30 -13.724 6.740 -0.276 1.00 0.00 O ATOM 400 CB LEU A 30 -14.984 4.300 1.052 1.00 0.00 C ATOM 401 CG LEU A 30 -15.208 3.627 2.433 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.684 2.182 2.438 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.557 4.373 3.612 1.00 0.00 C ATOM 0 H LEU A 30 -17.471 4.711 0.575 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.384 6.361 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.382 3.637 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.910 4.376 0.882 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.288 3.653 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.855 1.736 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.209 1.602 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.616 2.182 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.761 3.837 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.480 4.431 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.969 5.380 3.677 1.00 0.00 H new ATOM 415 N ASN A 31 -15.677 6.934 -1.372 1.00 0.00 N ATOM 416 CA ASN A 31 -15.209 7.973 -2.333 1.00 0.00 C ATOM 417 C ASN A 31 -14.954 9.347 -1.625 1.00 0.00 C ATOM 418 O ASN A 31 -15.861 9.932 -1.021 1.00 0.00 O ATOM 419 CB ASN A 31 -16.176 8.081 -3.547 1.00 0.00 C ATOM 420 CG ASN A 31 -17.656 8.381 -3.261 1.00 0.00 C ATOM 421 OD1 ASN A 31 -18.371 7.563 -2.694 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.188 9.521 -3.634 1.00 0.00 N ATOM 0 H ASN A 31 -16.619 6.594 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.242 7.661 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.798 8.861 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.125 7.143 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.174 9.708 -3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.616 10.220 -4.108 1.00 0.00 H new ATOM 429 N GLY A 32 -13.695 9.805 -1.629 1.00 0.00 N ATOM 430 CA GLY A 32 -13.262 10.959 -0.792 1.00 0.00 C ATOM 431 C GLY A 32 -12.891 10.698 0.687 1.00 0.00 C ATOM 432 O GLY A 32 -13.014 11.629 1.481 1.00 0.00 O ATOM 0 H GLY A 32 -12.951 9.402 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.398 11.414 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.062 11.699 -0.808 1.00 0.00 H new ATOM 436 N VAL A 33 -12.434 9.493 1.077 1.00 0.00 N ATOM 437 CA VAL A 33 -12.048 9.192 2.496 1.00 0.00 C ATOM 438 C VAL A 33 -10.635 9.692 2.957 1.00 0.00 C ATOM 439 O VAL A 33 -10.515 10.152 4.097 1.00 0.00 O ATOM 440 CB VAL A 33 -12.341 7.690 2.842 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.392 6.662 2.184 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.374 7.426 4.366 1.00 0.00 C ATOM 0 H VAL A 33 -12.318 8.704 0.441 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.699 9.815 3.109 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.330 7.535 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.680 5.655 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.459 6.747 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.368 6.858 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.581 6.371 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.410 7.687 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.155 8.033 4.824 1.00 0.00 H new ATOM 452 N VAL A 34 -9.569 9.583 2.137 1.00 0.00 N ATOM 453 CA VAL A 34 -8.167 9.859 2.587 1.00 0.00 C ATOM 454 C VAL A 34 -7.951 11.403 2.751 1.00 0.00 C ATOM 455 O VAL A 34 -8.064 12.166 1.788 1.00 0.00 O ATOM 456 CB VAL A 34 -7.090 9.182 1.667 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.659 9.309 2.245 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.329 7.676 1.410 1.00 0.00 C ATOM 0 H VAL A 34 -9.641 9.307 1.158 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.027 9.397 3.564 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.189 9.727 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.951 8.825 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.400 10.363 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.617 8.828 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.540 7.287 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.321 7.139 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.295 7.539 0.924 1.00 0.00 H new ATOM 468 N GLY A 35 -7.698 11.849 3.994 1.00 0.00 N ATOM 469 CA GLY A 35 -7.806 13.288 4.366 1.00 0.00 C ATOM 470 C GLY A 35 -9.127 13.793 5.008 1.00 0.00 C ATOM 471 O GLY A 35 -9.113 14.883 5.582 1.00 0.00 O ATOM 0 H GLY A 35 -7.417 11.242 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.995 13.513 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.629 13.877 3.466 1.00 0.00 H new ATOM 475 N ARG A 36 -10.249 13.055 4.932 1.00 0.00 N ATOM 476 CA ARG A 36 -11.579 13.516 5.426 1.00 0.00 C ATOM 477 C ARG A 36 -11.750 13.323 6.965 1.00 0.00 C ATOM 478 O ARG A 36 -11.236 12.368 7.554 1.00 0.00 O ATOM 479 CB ARG A 36 -12.650 12.750 4.601 1.00 0.00 C ATOM 480 CG ARG A 36 -14.128 13.172 4.831 1.00 0.00 C ATOM 481 CD ARG A 36 -15.134 12.557 3.839 1.00 0.00 C ATOM 482 NE ARG A 36 -15.326 11.097 4.076 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.858 10.236 3.207 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.214 10.552 1.989 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.045 9.009 3.586 1.00 0.00 N ATOM 0 H ARG A 36 -10.269 12.119 4.527 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.687 14.591 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.420 12.874 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.559 11.687 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.419 12.891 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.195 14.258 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.092 13.069 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.782 12.716 2.820 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.026 10.726 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.090 11.507 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.616 9.843 1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.787 8.722 4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.450 8.332 2.940 1.00 0.00 H new ATOM 499 N THR A 37 -12.508 14.227 7.609 1.00 0.00 N ATOM 500 CA THR A 37 -12.750 14.203 9.082 1.00 0.00 C ATOM 501 C THR A 37 -13.426 12.888 9.604 1.00 0.00 C ATOM 502 O THR A 37 -14.270 12.276 8.939 1.00 0.00 O ATOM 503 CB THR A 37 -13.489 15.525 9.465 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.695 16.653 9.097 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.790 15.718 10.960 1.00 0.00 C ATOM 0 H THR A 37 -12.975 14.999 7.133 1.00 0.00 H new ATOM 0 HA THR A 37 -11.796 14.173 9.608 1.00 0.00 H new ATOM 0 HB THR A 37 -14.436 15.446 8.931 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.785 16.540 9.443 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.304 16.668 11.108 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.424 14.904 11.312 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.856 15.719 11.522 1.00 0.00 H new ATOM 513 N VAL A 38 -13.034 12.460 10.818 1.00 0.00 N ATOM 514 CA VAL A 38 -13.625 11.274 11.507 1.00 0.00 C ATOM 515 C VAL A 38 -15.102 11.600 11.936 1.00 0.00 C ATOM 516 O VAL A 38 -15.351 12.592 12.627 1.00 0.00 O ATOM 517 CB VAL A 38 -12.706 10.822 12.698 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.240 9.552 13.392 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.238 10.503 12.316 1.00 0.00 C ATOM 0 H VAL A 38 -12.300 12.919 11.357 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.674 10.423 10.828 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.725 11.695 13.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.573 9.276 14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.237 9.745 13.787 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.287 8.736 12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.688 10.201 13.207 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.220 9.693 11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.773 11.390 11.886 1.00 0.00 H new ATOM 529 N ALA A 39 -16.075 10.807 11.439 1.00 0.00 N ATOM 530 CA ALA A 39 -17.519 11.202 11.374 1.00 0.00 C ATOM 531 C ALA A 39 -17.944 12.351 10.382 1.00 0.00 C ATOM 532 O ALA A 39 -19.092 12.806 10.421 1.00 0.00 O ATOM 533 CB ALA A 39 -18.146 11.357 12.778 1.00 0.00 C ATOM 0 H ALA A 39 -15.893 9.874 11.069 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.960 10.336 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.193 11.644 12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.078 10.410 13.313 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.610 12.127 13.333 1.00 0.00 H new ATOM 539 N GLY A 40 -17.086 12.774 9.434 1.00 0.00 N ATOM 540 CA GLY A 40 -17.380 13.889 8.494 1.00 0.00 C ATOM 541 C GLY A 40 -18.106 13.506 7.189 1.00 0.00 C ATOM 542 O GLY A 40 -17.627 13.805 6.093 1.00 0.00 O ATOM 0 H GLY A 40 -16.166 12.356 9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.985 14.628 9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.439 14.374 8.233 1.00 0.00 H new ATOM 546 N VAL A 41 -19.281 12.884 7.333 1.00 0.00 N ATOM 547 CA VAL A 41 -20.250 12.689 6.212 1.00 0.00 C ATOM 548 C VAL A 41 -21.665 13.087 6.739 1.00 0.00 C ATOM 549 O VAL A 41 -22.315 12.314 7.454 1.00 0.00 O ATOM 550 CB VAL A 41 -20.226 11.246 5.588 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.209 11.097 4.404 1.00 0.00 C ATOM 552 CG2 VAL A 41 -18.842 10.808 5.062 1.00 0.00 C ATOM 0 H VAL A 41 -19.601 12.497 8.221 1.00 0.00 H new ATOM 0 HA VAL A 41 -19.958 13.330 5.380 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.516 10.611 6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.153 10.082 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.224 11.298 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -20.944 11.806 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.912 9.802 4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.513 11.498 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.123 10.814 5.881 1.00 0.00 H new ATOM 562 N ASP A 42 -22.175 14.262 6.322 1.00 0.00 N ATOM 563 CA ASP A 42 -23.586 14.671 6.583 1.00 0.00 C ATOM 564 C ASP A 42 -24.551 13.879 5.639 1.00 0.00 C ATOM 565 O ASP A 42 -24.647 14.153 4.439 1.00 0.00 O ATOM 566 CB ASP A 42 -23.735 16.208 6.410 1.00 0.00 C ATOM 567 CG ASP A 42 -22.966 17.062 7.421 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.678 17.283 8.566 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.833 17.488 7.214 1.00 0.00 O ATOM 0 H ASP A 42 -21.636 14.953 5.800 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.856 14.429 7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.404 16.477 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.793 16.463 6.476 1.00 0.00 H new ATOM 574 N GLY A 43 -25.190 12.836 6.186 1.00 0.00 N ATOM 575 CA GLY A 43 -25.740 11.726 5.364 1.00 0.00 C ATOM 576 C GLY A 43 -25.755 10.337 6.044 1.00 0.00 C ATOM 577 O GLY A 43 -26.740 9.614 5.897 1.00 0.00 O ATOM 0 H GLY A 43 -25.343 12.729 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -26.760 11.981 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.158 11.655 4.445 1.00 0.00 H new ATOM 581 N PHE A 44 -24.680 9.949 6.757 1.00 0.00 N ATOM 582 CA PHE A 44 -24.675 8.725 7.605 1.00 0.00 C ATOM 583 C PHE A 44 -24.913 9.080 9.113 1.00 0.00 C ATOM 584 O PHE A 44 -24.290 9.995 9.664 1.00 0.00 O ATOM 585 CB PHE A 44 -23.331 7.980 7.368 1.00 0.00 C ATOM 586 CG PHE A 44 -23.268 6.569 7.981 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.829 5.477 7.311 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.726 6.382 9.257 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.870 4.226 7.918 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.770 5.131 9.865 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.343 4.054 9.194 1.00 0.00 C ATOM 0 H PHE A 44 -23.798 10.462 6.767 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.497 8.065 7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.156 7.905 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.520 8.579 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.232 5.606 6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.270 7.214 9.774 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.311 3.388 7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.361 4.996 10.855 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.378 3.083 9.665 1.00 0.00 H new ATOM 601 N ASN A 45 -25.771 8.299 9.797 1.00 0.00 N ATOM 602 CA ASN A 45 -25.955 8.403 11.271 1.00 0.00 C ATOM 603 C ASN A 45 -24.819 7.639 12.033 1.00 0.00 C ATOM 604 O ASN A 45 -24.873 6.417 12.194 1.00 0.00 O ATOM 605 CB ASN A 45 -27.382 7.880 11.591 1.00 0.00 C ATOM 606 CG ASN A 45 -27.830 8.108 13.036 1.00 0.00 C ATOM 607 OD1 ASN A 45 -27.855 9.224 13.542 1.00 0.00 O ATOM 608 ND2 ASN A 45 -28.216 7.077 13.743 1.00 0.00 N ATOM 0 H ASN A 45 -26.352 7.585 9.358 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.874 9.434 11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.092 8.366 10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.421 6.812 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -28.533 7.207 14.704 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -28.200 6.143 13.333 1.00 0.00 H new ATOM 615 N TYR A 46 -23.789 8.371 12.484 1.00 0.00 N ATOM 616 CA TYR A 46 -22.577 7.771 13.105 1.00 0.00 C ATOM 617 C TYR A 46 -22.736 7.326 14.598 1.00 0.00 C ATOM 618 O TYR A 46 -23.597 7.798 15.346 1.00 0.00 O ATOM 619 CB TYR A 46 -21.408 8.795 12.947 1.00 0.00 C ATOM 620 CG TYR A 46 -20.756 8.832 11.558 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.808 7.863 11.209 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.089 9.829 10.637 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.194 7.902 9.960 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.475 9.864 9.388 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.522 8.906 9.053 1.00 0.00 C ATOM 626 OH TYR A 46 -18.866 8.984 7.856 1.00 0.00 O ATOM 0 H TYR A 46 -23.763 9.389 12.434 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.375 6.837 12.581 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.784 9.791 13.181 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.640 8.563 13.685 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.552 7.083 11.911 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.826 10.575 10.895 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.463 7.153 9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.738 10.635 8.679 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.651 9.920 7.661 1.00 0.00 H new ATOM 636 N SER A 47 -21.819 6.445 15.037 1.00 0.00 N ATOM 637 CA SER A 47 -21.625 6.111 16.476 1.00 0.00 C ATOM 638 C SER A 47 -21.020 7.298 17.293 1.00 0.00 C ATOM 639 O SER A 47 -20.157 8.040 16.808 1.00 0.00 O ATOM 640 CB SER A 47 -20.678 4.889 16.600 1.00 0.00 C ATOM 641 OG SER A 47 -21.107 3.767 15.831 1.00 0.00 O ATOM 0 H SER A 47 -21.189 5.941 14.413 1.00 0.00 H new ATOM 0 HA SER A 47 -22.609 5.889 16.888 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.677 5.179 16.281 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.606 4.597 17.648 1.00 0.00 H new ATOM 0 HG SER A 47 -21.100 4.001 14.879 1.00 0.00 H new ATOM 647 N ASP A 48 -21.439 7.442 18.559 1.00 0.00 N ATOM 648 CA ASP A 48 -20.939 8.527 19.461 1.00 0.00 C ATOM 649 C ASP A 48 -19.385 8.555 19.710 1.00 0.00 C ATOM 650 O ASP A 48 -18.833 9.650 19.567 1.00 0.00 O ATOM 651 CB ASP A 48 -21.777 8.593 20.766 1.00 0.00 C ATOM 652 CG ASP A 48 -23.214 9.078 20.569 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.311 10.435 20.602 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.167 8.329 20.386 1.00 0.00 O ATOM 0 H ASP A 48 -22.125 6.826 18.996 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.097 9.453 18.909 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.800 7.602 21.220 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.276 9.255 21.472 1.00 0.00 H new ATOM 659 N PRO A 49 -18.619 7.453 19.979 1.00 0.00 N ATOM 660 CA PRO A 49 -17.124 7.478 19.947 1.00 0.00 C ATOM 661 C PRO A 49 -16.395 7.851 18.617 1.00 0.00 C ATOM 662 O PRO A 49 -15.281 8.373 18.672 1.00 0.00 O ATOM 663 CB PRO A 49 -16.757 6.066 20.445 1.00 0.00 C ATOM 664 CG PRO A 49 -17.991 5.583 21.207 1.00 0.00 C ATOM 665 CD PRO A 49 -19.158 6.148 20.405 1.00 0.00 C ATOM 0 HA PRO A 49 -16.770 8.310 20.555 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.522 5.402 19.613 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.879 6.091 21.090 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.030 4.495 21.257 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -17.996 5.950 22.233 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.417 5.515 19.557 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.058 6.254 21.010 1.00 0.00 H new ATOM 673 N MET A 50 -17.014 7.619 17.445 1.00 0.00 N ATOM 674 CA MET A 50 -16.581 8.243 16.158 1.00 0.00 C ATOM 675 C MET A 50 -16.840 9.787 16.072 1.00 0.00 C ATOM 676 O MET A 50 -15.945 10.530 15.661 1.00 0.00 O ATOM 677 CB MET A 50 -17.250 7.442 15.007 1.00 0.00 C ATOM 678 CG MET A 50 -16.659 7.682 13.602 1.00 0.00 C ATOM 679 SD MET A 50 -15.035 6.921 13.425 1.00 0.00 S ATOM 680 CE MET A 50 -15.468 5.254 12.908 1.00 0.00 C ATOM 0 H MET A 50 -17.821 7.002 17.351 1.00 0.00 H new ATOM 0 HA MET A 50 -15.496 8.180 16.078 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.176 6.379 15.237 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.311 7.690 14.983 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.335 7.277 12.849 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.581 8.753 13.418 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.603 4.781 12.444 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.777 4.672 13.777 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.287 5.297 12.190 1.00 0.00 H new ATOM 690 N LYS A 51 -18.029 10.271 16.484 1.00 0.00 N ATOM 691 CA LYS A 51 -18.328 11.733 16.597 1.00 0.00 C ATOM 692 C LYS A 51 -17.458 12.502 17.649 1.00 0.00 C ATOM 693 O LYS A 51 -16.918 13.563 17.327 1.00 0.00 O ATOM 694 CB LYS A 51 -19.853 11.935 16.831 1.00 0.00 C ATOM 695 CG LYS A 51 -20.765 11.511 15.651 1.00 0.00 C ATOM 696 CD LYS A 51 -22.280 11.707 15.871 1.00 0.00 C ATOM 697 CE LYS A 51 -22.885 10.769 16.928 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.359 10.810 16.886 1.00 0.00 N ATOM 0 H LYS A 51 -18.812 9.673 16.749 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.042 12.186 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.146 11.371 17.716 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.034 12.987 17.049 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.469 12.075 14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.581 10.459 15.434 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.463 12.739 16.169 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.797 11.552 14.924 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.540 9.749 16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.537 11.059 17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.745 10.169 17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.685 11.780 17.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.688 10.510 15.946 1.00 0.00 H new ATOM 711 N ALA A 52 -17.272 11.960 18.868 1.00 0.00 N ATOM 712 CA ALA A 52 -16.291 12.490 19.854 1.00 0.00 C ATOM 713 C ALA A 52 -14.793 12.021 19.713 1.00 0.00 C ATOM 714 O ALA A 52 -14.047 12.085 20.695 1.00 0.00 O ATOM 715 CB ALA A 52 -16.906 12.120 21.222 1.00 0.00 C ATOM 0 H ALA A 52 -17.790 11.148 19.202 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.163 13.561 19.694 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.253 12.470 22.021 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.884 12.591 21.320 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.016 11.038 21.291 1.00 0.00 H new ATOM 721 N HIS A 53 -14.314 11.617 18.516 1.00 0.00 N ATOM 722 CA HIS A 53 -12.895 11.205 18.305 1.00 0.00 C ATOM 723 C HIS A 53 -11.901 12.408 18.148 1.00 0.00 C ATOM 724 O HIS A 53 -10.975 12.533 18.952 1.00 0.00 O ATOM 725 CB HIS A 53 -12.855 10.190 17.126 1.00 0.00 C ATOM 726 CG HIS A 53 -11.563 9.381 17.022 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.541 9.669 16.128 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.247 8.247 17.791 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.674 8.658 16.453 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.009 7.752 17.427 1.00 0.00 N ATOM 0 H HIS A 53 -14.887 11.565 17.673 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.529 10.713 19.206 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.692 9.500 17.230 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.004 10.733 16.192 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.881 7.824 18.556 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.726 8.575 15.942 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.493 6.946 17.780 1.00 0.00 H new ATOM 738 N GLY A 54 -12.075 13.266 17.122 1.00 0.00 N ATOM 739 CA GLY A 54 -11.152 14.403 16.859 1.00 0.00 C ATOM 740 C GLY A 54 -9.956 14.063 15.950 1.00 0.00 C ATOM 741 O GLY A 54 -8.876 13.711 16.429 1.00 0.00 O ATOM 0 H GLY A 54 -12.846 13.198 16.458 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.718 15.215 16.403 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.773 14.774 17.811 1.00 0.00 H new ATOM 745 N GLY A 55 -10.157 14.205 14.639 1.00 0.00 N ATOM 746 CA GLY A 55 -9.101 13.925 13.636 1.00 0.00 C ATOM 747 C GLY A 55 -9.587 13.847 12.171 1.00 0.00 C ATOM 748 O GLY A 55 -10.780 13.949 11.868 1.00 0.00 O ATOM 0 H GLY A 55 -11.042 14.513 14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.339 14.701 13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.620 12.981 13.893 1.00 0.00 H new ATOM 752 N ASP A 56 -8.629 13.618 11.261 1.00 0.00 N ATOM 753 CA ASP A 56 -8.913 13.303 9.827 1.00 0.00 C ATOM 754 C ASP A 56 -8.210 11.975 9.396 1.00 0.00 C ATOM 755 O ASP A 56 -7.204 11.545 9.974 1.00 0.00 O ATOM 756 CB ASP A 56 -8.512 14.493 8.906 1.00 0.00 C ATOM 757 CG ASP A 56 -9.459 15.709 8.905 1.00 0.00 C ATOM 758 OD1 ASP A 56 -9.964 16.193 9.916 1.00 0.00 O ATOM 759 OD2 ASP A 56 -9.712 16.185 7.647 1.00 0.00 O ATOM 0 H ASP A 56 -7.634 13.643 11.483 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.987 13.153 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.519 14.833 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.431 14.122 7.884 1.00 0.00 H new ATOM 764 N TRP A 57 -8.748 11.321 8.349 1.00 0.00 N ATOM 765 CA TRP A 57 -8.323 9.950 7.951 1.00 0.00 C ATOM 766 C TRP A 57 -7.035 9.934 7.068 1.00 0.00 C ATOM 767 O TRP A 57 -7.067 9.768 5.846 1.00 0.00 O ATOM 768 CB TRP A 57 -9.530 9.207 7.310 1.00 0.00 C ATOM 769 CG TRP A 57 -10.575 8.649 8.291 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.931 9.035 8.360 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.406 7.708 9.300 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.619 8.335 9.368 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.655 7.536 9.947 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.247 7.055 9.800 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.751 6.741 11.111 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.363 6.286 10.956 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.594 6.142 11.609 1.00 0.00 C ATOM 0 H TRP A 57 -9.480 11.715 7.757 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.025 9.405 8.846 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.032 9.892 6.626 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.146 8.382 6.710 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.384 9.776 7.718 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.606 8.403 9.615 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.297 7.153 9.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.701 6.600 11.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.489 5.793 11.355 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.648 5.556 12.515 1.00 0.00 H new ATOM 788 N THR A 58 -5.886 10.065 7.739 1.00 0.00 N ATOM 789 CA THR A 58 -4.533 9.951 7.121 1.00 0.00 C ATOM 790 C THR A 58 -4.119 8.459 6.821 1.00 0.00 C ATOM 791 O THR A 58 -4.661 7.553 7.468 1.00 0.00 O ATOM 792 CB THR A 58 -3.494 10.664 8.054 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.460 10.080 9.352 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.714 12.177 8.240 1.00 0.00 C ATOM 0 H THR A 58 -5.854 10.256 8.740 1.00 0.00 H new ATOM 0 HA THR A 58 -4.555 10.443 6.149 1.00 0.00 H new ATOM 0 HB THR A 58 -2.551 10.522 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.800 10.549 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.946 12.578 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.656 12.675 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.697 12.351 8.679 1.00 0.00 H new ATOM 802 N PRO A 59 -3.162 8.126 5.897 1.00 0.00 N ATOM 803 CA PRO A 59 -2.697 6.717 5.675 1.00 0.00 C ATOM 804 C PRO A 59 -2.247 5.889 6.924 1.00 0.00 C ATOM 805 O PRO A 59 -2.709 4.764 7.128 1.00 0.00 O ATOM 806 CB PRO A 59 -1.591 6.896 4.614 1.00 0.00 C ATOM 807 CG PRO A 59 -1.185 8.370 4.651 1.00 0.00 C ATOM 808 CD PRO A 59 -2.469 9.103 5.029 1.00 0.00 C ATOM 0 HA PRO A 59 -3.530 6.086 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.738 6.253 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.955 6.619 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.396 8.547 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.806 8.703 3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.263 10.035 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.063 9.357 4.151 1.00 0.00 H new ATOM 816 N GLU A 60 -1.403 6.489 7.775 1.00 0.00 N ATOM 817 CA GLU A 60 -1.112 5.988 9.152 1.00 0.00 C ATOM 818 C GLU A 60 -2.348 5.724 10.086 1.00 0.00 C ATOM 819 O GLU A 60 -2.488 4.606 10.593 1.00 0.00 O ATOM 820 CB GLU A 60 0.017 6.843 9.790 1.00 0.00 C ATOM 821 CG GLU A 60 -0.330 8.312 10.135 1.00 0.00 C ATOM 822 CD GLU A 60 0.859 9.131 10.627 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.068 8.991 11.966 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.548 9.838 9.900 1.00 0.00 O ATOM 0 H GLU A 60 -0.894 7.341 7.539 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.750 4.967 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.343 6.347 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.867 6.846 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.748 8.793 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.106 8.321 10.900 1.00 0.00 H new ATOM 831 N ALA A 61 -3.266 6.699 10.261 1.00 0.00 N ATOM 832 CA ALA A 61 -4.551 6.487 10.986 1.00 0.00 C ATOM 833 C ALA A 61 -5.518 5.418 10.375 1.00 0.00 C ATOM 834 O ALA A 61 -6.026 4.572 11.115 1.00 0.00 O ATOM 835 CB ALA A 61 -5.224 7.866 11.126 1.00 0.00 C ATOM 0 H ALA A 61 -3.145 7.649 9.910 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.314 6.050 11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.172 7.756 11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.571 8.534 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.406 8.284 10.136 1.00 0.00 H new ATOM 841 N LEU A 62 -5.727 5.413 9.043 1.00 0.00 N ATOM 842 CA LEU A 62 -6.419 4.307 8.321 1.00 0.00 C ATOM 843 C LEU A 62 -5.777 2.892 8.490 1.00 0.00 C ATOM 844 O LEU A 62 -6.511 1.962 8.821 1.00 0.00 O ATOM 845 CB LEU A 62 -6.556 4.682 6.815 1.00 0.00 C ATOM 846 CG LEU A 62 -7.591 5.781 6.460 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.350 6.305 5.037 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.040 5.270 6.573 1.00 0.00 C ATOM 0 H LEU A 62 -5.424 6.171 8.431 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.399 4.211 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.579 5.006 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.816 3.779 6.262 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.457 6.588 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.085 7.076 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.347 6.727 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.446 5.485 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.730 6.073 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.185 4.434 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.231 4.941 7.594 1.00 0.00 H new ATOM 860 N GLN A 63 -4.452 2.699 8.308 1.00 0.00 N ATOM 861 CA GLN A 63 -3.794 1.379 8.570 1.00 0.00 C ATOM 862 C GLN A 63 -3.794 0.890 10.065 1.00 0.00 C ATOM 863 O GLN A 63 -3.962 -0.307 10.319 1.00 0.00 O ATOM 864 CB GLN A 63 -2.427 1.307 7.824 1.00 0.00 C ATOM 865 CG GLN A 63 -1.163 1.864 8.528 1.00 0.00 C ATOM 866 CD GLN A 63 -0.458 0.903 9.500 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.430 -0.315 9.330 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.156 1.419 10.536 1.00 0.00 N ATOM 0 H GLN A 63 -3.814 3.426 7.984 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.435 0.612 8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.237 0.261 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.539 1.837 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.448 2.166 7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.442 2.764 9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.140 2.427 10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.650 0.812 11.190 1.00 0.00 H new ATOM 877 N GLU A 64 -3.665 1.798 11.051 1.00 0.00 N ATOM 878 CA GLU A 64 -3.970 1.507 12.483 1.00 0.00 C ATOM 879 C GLU A 64 -5.464 1.110 12.754 1.00 0.00 C ATOM 880 O GLU A 64 -5.713 0.046 13.327 1.00 0.00 O ATOM 881 CB GLU A 64 -3.515 2.721 13.345 1.00 0.00 C ATOM 882 CG GLU A 64 -1.983 2.956 13.415 1.00 0.00 C ATOM 883 CD GLU A 64 -1.582 4.268 14.085 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.692 4.205 15.445 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.200 5.256 13.464 1.00 0.00 O ATOM 0 H GLU A 64 -3.348 2.754 10.888 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.409 0.618 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.985 3.621 12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.890 2.585 14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.524 2.129 13.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.577 2.939 12.403 1.00 0.00 H new ATOM 892 N PHE A 65 -6.451 1.919 12.313 1.00 0.00 N ATOM 893 CA PHE A 65 -7.896 1.553 12.349 1.00 0.00 C ATOM 894 C PHE A 65 -8.285 0.241 11.588 1.00 0.00 C ATOM 895 O PHE A 65 -9.002 -0.586 12.143 1.00 0.00 O ATOM 896 CB PHE A 65 -8.657 2.808 11.843 1.00 0.00 C ATOM 897 CG PHE A 65 -10.190 2.699 11.824 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.932 2.825 13.003 1.00 0.00 C ATOM 899 CD2 PHE A 65 -10.854 2.457 10.617 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.321 2.721 12.970 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.240 2.341 10.593 1.00 0.00 C ATOM 902 CZ PHE A 65 -12.975 2.478 11.765 1.00 0.00 C ATOM 0 H PHE A 65 -6.276 2.844 11.921 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.177 1.290 13.369 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.380 3.655 12.470 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.315 3.034 10.833 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.427 3.003 13.941 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.289 2.360 9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.891 2.829 13.881 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.747 2.144 9.660 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.052 2.396 11.741 1.00 0.00 H new ATOM 912 N LEU A 66 -7.817 0.019 10.353 1.00 0.00 N ATOM 913 CA LEU A 66 -8.031 -1.271 9.631 1.00 0.00 C ATOM 914 C LEU A 66 -7.187 -2.495 10.141 1.00 0.00 C ATOM 915 O LEU A 66 -7.489 -3.625 9.757 1.00 0.00 O ATOM 916 CB LEU A 66 -7.848 -1.010 8.108 1.00 0.00 C ATOM 917 CG LEU A 66 -8.823 0.010 7.452 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.346 0.381 6.041 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.273 -0.501 7.409 1.00 0.00 C ATOM 0 H LEU A 66 -7.286 0.708 9.821 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.049 -1.593 9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.829 -0.661 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.948 -1.961 7.585 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.817 0.901 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.040 1.095 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.353 0.828 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.305 -0.516 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.910 0.250 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.316 -1.424 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.622 -0.692 8.424 1.00 0.00 H new ATOM 931 N THR A 67 -6.198 -2.309 11.041 1.00 0.00 N ATOM 932 CA THR A 67 -5.652 -3.403 11.900 1.00 0.00 C ATOM 933 C THR A 67 -6.671 -3.853 13.011 1.00 0.00 C ATOM 934 O THR A 67 -6.995 -5.040 13.069 1.00 0.00 O ATOM 935 CB THR A 67 -4.257 -2.993 12.476 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.377 -2.543 11.449 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.511 -4.143 13.170 1.00 0.00 C ATOM 0 H THR A 67 -5.752 -1.405 11.199 1.00 0.00 H new ATOM 0 HA THR A 67 -5.501 -4.285 11.278 1.00 0.00 H new ATOM 0 HB THR A 67 -4.495 -2.209 13.195 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.805 -1.820 10.945 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.553 -3.782 13.543 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.108 -4.514 14.003 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.342 -4.950 12.457 1.00 0.00 H new ATOM 945 N ASN A 68 -7.176 -2.942 13.874 1.00 0.00 N ATOM 946 CA ASN A 68 -8.294 -3.245 14.815 1.00 0.00 C ATOM 947 C ASN A 68 -9.208 -1.971 14.963 1.00 0.00 C ATOM 948 O ASN A 68 -8.792 -1.032 15.659 1.00 0.00 O ATOM 949 CB ASN A 68 -7.728 -3.763 16.167 1.00 0.00 C ATOM 950 CG ASN A 68 -8.772 -4.284 17.171 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.909 -3.831 17.257 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.414 -5.235 17.998 1.00 0.00 N ATOM 0 H ASN A 68 -6.829 -1.985 13.943 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.922 -4.045 14.422 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.018 -4.564 15.960 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.168 -2.956 16.639 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.075 -5.582 18.693 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.474 -5.628 17.947 1.00 0.00 H new ATOM 959 N PRO A 69 -10.445 -1.885 14.381 1.00 0.00 N ATOM 960 CA PRO A 69 -11.266 -0.642 14.450 1.00 0.00 C ATOM 961 C PRO A 69 -11.878 -0.263 15.836 1.00 0.00 C ATOM 962 O PRO A 69 -11.883 0.921 16.184 1.00 0.00 O ATOM 963 CB PRO A 69 -12.275 -0.805 13.296 1.00 0.00 C ATOM 964 CG PRO A 69 -12.251 -2.270 12.864 1.00 0.00 C ATOM 965 CD PRO A 69 -10.960 -2.874 13.412 1.00 0.00 C ATOM 0 HA PRO A 69 -10.638 0.241 14.333 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.276 -0.518 13.619 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.010 -0.155 12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.120 -2.801 13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.285 -2.353 11.778 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.148 -3.834 13.893 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.240 -3.053 12.613 1.00 0.00 H new ATOM 973 N LYS A 70 -12.334 -1.246 16.635 1.00 0.00 N ATOM 974 CA LYS A 70 -12.742 -1.028 18.058 1.00 0.00 C ATOM 975 C LYS A 70 -11.601 -0.816 19.114 1.00 0.00 C ATOM 976 O LYS A 70 -11.898 -0.387 20.231 1.00 0.00 O ATOM 977 CB LYS A 70 -13.717 -2.161 18.490 1.00 0.00 C ATOM 978 CG LYS A 70 -15.123 -2.140 17.825 1.00 0.00 C ATOM 979 CD LYS A 70 -15.502 -3.393 17.009 1.00 0.00 C ATOM 980 CE LYS A 70 -14.625 -3.624 15.768 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.183 -4.707 14.941 1.00 0.00 N ATOM 0 H LYS A 70 -12.434 -2.213 16.326 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.234 -0.055 18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.248 -3.120 18.271 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.847 -2.109 19.571 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.871 -1.999 18.606 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.180 -1.272 17.168 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.435 -4.268 17.655 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.542 -3.307 16.695 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.562 -2.706 15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.610 -3.877 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.479 -5.002 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.426 -5.517 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.039 -4.368 14.456 1.00 0.00 H new ATOM 994 N ALA A 71 -10.318 -1.046 18.786 1.00 0.00 N ATOM 995 CA ALA A 71 -9.179 -0.473 19.555 1.00 0.00 C ATOM 996 C ALA A 71 -8.932 1.053 19.299 1.00 0.00 C ATOM 997 O ALA A 71 -8.848 1.821 20.261 1.00 0.00 O ATOM 998 CB ALA A 71 -7.939 -1.337 19.262 1.00 0.00 C ATOM 0 H ALA A 71 -10.035 -1.624 17.995 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.421 -0.507 20.617 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.084 -0.944 19.811 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.129 -2.364 19.573 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.725 -1.316 18.193 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.825 1.495 18.027 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.573 2.930 17.669 1.00 0.00 C ATOM 1006 C VAL A 72 -9.816 3.857 17.906 1.00 0.00 C ATOM 1007 O VAL A 72 -9.675 4.882 18.580 1.00 0.00 O ATOM 1008 CB VAL A 72 -7.956 3.032 16.227 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.745 4.481 15.720 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.587 2.319 16.108 1.00 0.00 C ATOM 0 H VAL A 72 -8.908 0.881 17.217 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.829 3.324 18.361 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.709 2.541 15.611 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.316 4.457 14.718 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.703 5.000 15.692 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.067 5.007 16.393 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.210 2.423 15.091 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.880 2.770 16.805 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.706 1.262 16.345 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.003 3.533 17.356 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.264 4.267 17.677 1.00 0.00 C ATOM 1022 C VAL A 73 -13.055 3.363 18.678 1.00 0.00 C ATOM 1023 O VAL A 73 -13.770 2.437 18.277 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.066 4.638 16.385 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.342 5.441 16.717 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.278 5.472 15.345 1.00 0.00 C ATOM 0 H VAL A 73 -11.125 2.772 16.688 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.062 5.232 18.141 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.296 3.666 15.949 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.872 5.680 15.795 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.988 4.847 17.363 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.068 6.364 17.228 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.916 5.679 14.486 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.961 6.412 15.797 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.401 4.913 15.019 1.00 0.00 H new ATOM 1036 N LYS A 74 -12.895 3.612 19.991 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.319 2.644 21.038 1.00 0.00 C ATOM 1038 C LYS A 74 -14.858 2.682 21.311 1.00 0.00 C ATOM 1039 O LYS A 74 -15.378 3.588 21.968 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.412 2.869 22.275 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.459 1.725 23.314 1.00 0.00 C ATOM 1042 CD LYS A 74 -11.414 1.847 24.448 1.00 0.00 C ATOM 1043 CE LYS A 74 -10.014 1.263 24.160 1.00 0.00 C ATOM 1044 NZ LYS A 74 -9.179 2.143 23.315 1.00 0.00 N ATOM 0 H LYS A 74 -12.479 4.468 20.358 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.176 1.617 20.702 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.383 2.996 21.938 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.706 3.799 22.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.455 1.693 23.756 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.309 0.776 22.799 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.299 2.903 24.694 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.813 1.354 25.335 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.501 1.084 25.105 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.125 0.296 23.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.190 2.093 23.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.240 1.833 22.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.518 3.123 23.393 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.574 1.694 20.749 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.059 1.730 20.623 1.00 0.00 C ATOM 1059 C GLY A 75 -17.655 2.181 19.261 1.00 0.00 C ATOM 1060 O GLY A 75 -18.725 2.792 19.242 1.00 0.00 O ATOM 0 H GLY A 75 -15.152 0.847 20.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.439 0.732 20.842 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.446 2.395 21.395 1.00 0.00 H new ATOM 1064 N THR A 76 -17.017 1.828 18.132 1.00 0.00 N ATOM 1065 CA THR A 76 -17.601 1.990 16.768 1.00 0.00 C ATOM 1066 C THR A 76 -18.495 0.773 16.355 1.00 0.00 C ATOM 1067 O THR A 76 -18.081 -0.384 16.485 1.00 0.00 O ATOM 1068 CB THR A 76 -16.463 2.272 15.735 1.00 0.00 C ATOM 1069 OG1 THR A 76 -17.027 2.533 14.462 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.406 1.178 15.491 1.00 0.00 C ATOM 0 H THR A 76 -16.082 1.421 18.128 1.00 0.00 H new ATOM 0 HA THR A 76 -18.270 2.850 16.781 1.00 0.00 H new ATOM 0 HB THR A 76 -15.942 3.107 16.203 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.408 3.436 14.452 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.687 1.526 14.749 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.887 0.959 16.424 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.895 0.274 15.127 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.684 1.024 15.769 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.550 -0.063 15.201 1.00 0.00 C ATOM 1080 C LYS A 77 -20.108 -0.728 13.839 1.00 0.00 C ATOM 1081 O LYS A 77 -20.925 -1.379 13.180 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.019 0.459 15.195 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.403 1.439 14.059 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.732 2.173 14.313 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.038 3.196 13.210 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.280 3.926 13.525 1.00 0.00 N ATOM 0 H LYS A 77 -20.076 1.960 15.671 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.435 -0.924 15.860 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.686 -0.402 15.142 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.209 0.952 16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.607 2.174 13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.473 0.888 13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.543 1.447 14.371 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.689 2.680 15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.209 3.897 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.139 2.689 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.252 4.866 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.097 3.395 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.369 4.032 14.556 1.00 0.00 H new ATOM 1099 N MET A 78 -18.828 -0.625 13.431 1.00 0.00 N ATOM 1100 CA MET A 78 -18.295 -1.336 12.242 1.00 0.00 C ATOM 1101 C MET A 78 -18.026 -2.843 12.559 1.00 0.00 C ATOM 1102 O MET A 78 -17.074 -3.184 13.270 1.00 0.00 O ATOM 1103 CB MET A 78 -17.050 -0.563 11.717 1.00 0.00 C ATOM 1104 CG MET A 78 -16.398 -1.216 10.481 1.00 0.00 C ATOM 1105 SD MET A 78 -15.658 0.013 9.328 1.00 0.00 S ATOM 1106 CE MET A 78 -13.940 -0.594 9.480 1.00 0.00 C ATOM 0 H MET A 78 -18.134 -0.051 13.910 1.00 0.00 H new ATOM 0 HA MET A 78 -19.033 -1.350 11.440 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.344 0.457 11.467 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.311 -0.495 12.515 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.625 -1.911 10.809 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.147 -1.801 9.948 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.284 0.011 8.854 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.619 -0.521 10.519 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.892 -1.634 9.158 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.840 -3.751 11.984 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.632 -5.219 12.130 1.00 0.00 C ATOM 1118 C ALA A 79 -17.548 -5.798 11.156 1.00 0.00 C ATOM 1119 O ALA A 79 -17.817 -6.556 10.220 1.00 0.00 O ATOM 1120 CB ALA A 79 -20.022 -5.876 12.027 1.00 0.00 C ATOM 0 H ALA A 79 -19.648 -3.501 11.414 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.199 -5.454 13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.922 -6.957 12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.664 -5.495 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.464 -5.642 11.059 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.293 -5.423 11.439 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.091 -5.870 10.695 1.00 0.00 C ATOM 1128 C PHE A 80 -13.946 -6.081 11.736 1.00 0.00 C ATOM 1129 O PHE A 80 -13.610 -5.168 12.498 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.748 -4.809 9.607 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.587 -5.204 8.682 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.793 -6.136 7.660 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.297 -4.710 8.913 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.718 -6.595 6.903 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.225 -5.166 8.150 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.435 -6.116 7.153 1.00 0.00 C ATOM 0 H PHE A 80 -16.073 -4.788 12.206 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.250 -6.813 10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.635 -4.628 9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.501 -3.868 10.099 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.789 -6.501 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.133 -3.973 9.685 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.880 -7.323 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.231 -4.783 8.331 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.601 -6.482 6.573 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.338 -7.279 11.770 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.261 -7.599 12.746 1.00 0.00 C ATOM 1148 C ALA A 81 -10.876 -6.932 12.456 1.00 0.00 C ATOM 1149 O ALA A 81 -10.340 -6.249 13.334 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.193 -9.135 12.857 1.00 0.00 C ATOM 0 H ALA A 81 -13.567 -8.046 11.138 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.518 -7.155 13.708 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.413 -9.414 13.565 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.153 -9.518 13.204 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.965 -9.561 11.880 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.301 -7.125 11.256 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.970 -6.561 10.924 1.00 0.00 C ATOM 1158 C GLY A 82 -8.299 -7.139 9.661 1.00 0.00 C ATOM 1159 O GLY A 82 -8.466 -8.309 9.309 1.00 0.00 O ATOM 0 H GLY A 82 -10.729 -7.662 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.073 -5.483 10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.305 -6.721 11.773 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.461 -6.310 9.029 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.500 -6.753 7.984 1.00 0.00 C ATOM 1165 C LEU A 83 -5.088 -6.954 8.644 1.00 0.00 C ATOM 1166 O LEU A 83 -4.410 -5.942 8.877 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.441 -5.694 6.845 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.677 -5.547 5.925 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.513 -4.326 5.007 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -7.932 -6.793 5.059 1.00 0.00 C ATOM 0 H LEU A 83 -7.421 -5.309 9.220 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.823 -7.699 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.247 -4.723 7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.582 -5.928 6.216 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.537 -5.419 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.389 -4.233 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.411 -3.426 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.623 -4.451 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.811 -6.629 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.066 -6.978 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.100 -7.656 5.703 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.579 -8.186 8.957 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.246 -8.366 9.611 1.00 0.00 C ATOM 1184 C PRO A 84 -1.972 -8.013 8.770 1.00 0.00 C ATOM 1185 O PRO A 84 -1.000 -7.499 9.333 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.306 -9.835 10.073 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.272 -10.524 9.106 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.320 -9.456 8.794 1.00 0.00 C ATOM 0 HA PRO A 84 -3.107 -7.642 10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.320 -10.298 10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.659 -9.910 11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.761 -10.856 8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.725 -11.406 9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.714 -9.564 7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.169 -9.516 9.475 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.985 -8.231 7.444 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.853 -7.885 6.544 1.00 0.00 C ATOM 1198 C LYS A 85 -0.827 -6.361 6.198 1.00 0.00 C ATOM 1199 O LYS A 85 -1.765 -5.820 5.601 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.956 -8.718 5.236 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.793 -10.248 5.384 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.926 -10.983 4.033 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.837 -12.516 4.135 1.00 0.00 C ATOM 1204 NZ LYS A 85 -2.050 -13.101 4.747 1.00 0.00 N ATOM 0 H LYS A 85 -2.777 -8.652 6.958 1.00 0.00 H new ATOM 0 HA LYS A 85 0.074 -8.121 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.926 -8.520 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.197 -8.359 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.182 -10.467 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.545 -10.626 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.880 -10.715 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.144 -10.629 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.693 -12.938 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.036 -12.790 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.949 -14.135 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.174 -12.718 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.881 -12.862 4.169 1.00 0.00 H new ATOM 1217 N ILE A 86 0.309 -5.700 6.488 1.00 0.00 N ATOM 1218 CA ILE A 86 0.648 -4.351 5.916 1.00 0.00 C ATOM 1219 C ILE A 86 0.502 -4.213 4.358 1.00 0.00 C ATOM 1220 O ILE A 86 -0.069 -3.232 3.885 1.00 0.00 O ATOM 1221 CB ILE A 86 2.042 -3.872 6.452 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.389 -2.388 6.132 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.241 -4.754 5.997 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.464 -1.330 6.756 1.00 0.00 C ATOM 0 H ILE A 86 1.022 -6.068 7.118 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.122 -3.671 6.280 1.00 0.00 H new ATOM 0 HB ILE A 86 1.908 -3.976 7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.408 -2.194 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.378 -2.258 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.166 -4.353 6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.097 -5.775 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.301 -4.753 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.801 -0.335 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.444 -1.485 6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.490 -1.419 7.842 1.00 0.00 H new ATOM 1236 N GLU A 87 0.962 -5.217 3.589 1.00 0.00 N ATOM 1237 CA GLU A 87 0.751 -5.320 2.116 1.00 0.00 C ATOM 1238 C GLU A 87 -0.740 -5.227 1.634 1.00 0.00 C ATOM 1239 O GLU A 87 -1.022 -4.492 0.688 1.00 0.00 O ATOM 1240 CB GLU A 87 1.412 -6.639 1.614 1.00 0.00 C ATOM 1241 CG GLU A 87 2.932 -6.821 1.886 1.00 0.00 C ATOM 1242 CD GLU A 87 3.462 -8.189 1.454 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.149 -9.236 2.015 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.317 -8.109 0.392 1.00 0.00 O ATOM 0 H GLU A 87 1.500 -5.996 3.970 1.00 0.00 H new ATOM 0 HA GLU A 87 1.222 -4.440 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.885 -7.476 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.251 -6.710 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.484 -6.042 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.123 -6.684 2.950 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.692 -5.918 2.301 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.156 -5.696 2.071 1.00 0.00 C ATOM 1253 C ASP A 88 -3.673 -4.266 2.453 1.00 0.00 C ATOM 1254 O ASP A 88 -4.381 -3.649 1.653 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.972 -6.802 2.802 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.912 -8.233 2.256 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.688 -8.555 1.745 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.867 -9.002 2.302 1.00 0.00 O ATOM 0 H ASP A 88 -1.485 -6.631 3.000 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.309 -5.762 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.640 -6.828 3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.017 -6.493 2.810 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.303 -3.735 3.637 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.611 -2.330 4.039 1.00 0.00 C ATOM 1265 C ARG A 89 -3.021 -1.224 3.096 1.00 0.00 C ATOM 1266 O ARG A 89 -3.771 -0.362 2.638 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.194 -2.094 5.521 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.810 -3.053 6.575 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.646 -2.638 8.050 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.225 -2.528 8.496 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.512 -3.485 9.082 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.927 -4.710 9.252 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.328 -3.174 9.515 1.00 0.00 N ATOM 0 H ARG A 89 -2.785 -4.257 4.344 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.691 -2.223 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.108 -2.168 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.461 -1.072 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.874 -3.156 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.363 -4.038 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.140 -1.678 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.159 -3.365 8.680 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.758 -1.635 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.854 -4.984 8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.325 -5.393 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.024 -2.224 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.250 -3.880 9.970 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.713 -1.261 2.778 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.079 -0.363 1.776 1.00 0.00 C ATOM 1289 C ALA A 90 -1.578 -0.483 0.294 1.00 0.00 C ATOM 1290 O ALA A 90 -1.763 0.553 -0.349 1.00 0.00 O ATOM 1291 CB ALA A 90 0.437 -0.579 1.923 1.00 0.00 C ATOM 0 H ALA A 90 -1.058 -1.915 3.207 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.380 0.661 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.966 0.055 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.745 -0.321 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.676 -1.624 1.726 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.871 -1.692 -0.236 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.626 -1.854 -1.520 1.00 0.00 C ATOM 1299 C ASN A 91 -4.063 -1.232 -1.511 1.00 0.00 C ATOM 1300 O ASN A 91 -4.397 -0.449 -2.405 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.683 -3.352 -1.931 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.374 -4.001 -2.384 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.357 -3.366 -2.634 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.382 -5.297 -2.570 1.00 0.00 N ATOM 0 H ASN A 91 -1.601 -2.575 0.198 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.067 -1.285 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.067 -3.921 -1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.408 -3.454 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.547 -5.767 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.223 -5.836 -2.365 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.892 -1.540 -0.493 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.168 -0.817 -0.228 1.00 0.00 C ATOM 1313 C LEU A 92 -6.053 0.736 -0.093 1.00 0.00 C ATOM 1314 O LEU A 92 -6.818 1.445 -0.741 1.00 0.00 O ATOM 1315 CB LEU A 92 -6.809 -1.492 1.013 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.200 -0.983 1.464 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.299 -1.194 0.410 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.603 -1.698 2.757 1.00 0.00 C ATOM 0 H LEU A 92 -4.704 -2.292 0.170 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.808 -0.908 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.891 -2.560 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.121 -1.378 1.851 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.108 0.092 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.247 -0.815 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.035 -0.659 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.395 -2.258 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.582 -1.343 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.647 -2.773 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.867 -1.488 3.533 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.107 1.270 0.697 1.00 0.00 N ATOM 1331 CA ILE A 93 -4.867 2.741 0.821 1.00 0.00 C ATOM 1332 C ILE A 93 -4.263 3.408 -0.475 1.00 0.00 C ATOM 1333 O ILE A 93 -4.576 4.572 -0.741 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.114 2.991 2.178 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.997 2.624 3.418 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.597 4.442 2.352 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.227 2.396 4.727 1.00 0.00 C ATOM 0 H ILE A 93 -4.481 0.706 1.272 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.812 3.282 0.876 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.249 2.329 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.722 3.423 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.563 1.721 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.089 4.535 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.900 4.679 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.438 5.134 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.929 2.148 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.522 1.575 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.683 3.303 4.992 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.468 2.717 -1.317 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.255 3.111 -2.742 1.00 0.00 C ATOM 1351 C ALA A 94 -4.550 3.193 -3.627 1.00 0.00 C ATOM 1352 O ALA A 94 -4.752 4.200 -4.312 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.196 2.152 -3.317 1.00 0.00 C ATOM 0 H ALA A 94 -2.957 1.878 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.909 4.144 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.007 2.402 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.271 2.247 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.559 1.126 -3.250 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.454 2.192 -3.568 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.836 2.307 -4.125 1.00 0.00 C ATOM 1361 C TYR A 95 -7.734 3.441 -3.511 1.00 0.00 C ATOM 1362 O TYR A 95 -8.334 4.193 -4.278 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.484 0.894 -4.073 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.871 0.782 -4.726 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.000 0.846 -6.118 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.018 0.666 -3.933 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.261 0.814 -6.706 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.277 0.625 -4.527 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.397 0.705 -5.911 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.628 0.657 -6.507 1.00 0.00 O ATOM 0 H TYR A 95 -5.258 1.287 -3.140 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.754 2.649 -5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.813 0.187 -4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.566 0.588 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.119 0.920 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.927 0.608 -2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.357 0.874 -7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.161 0.531 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.239 0.128 -5.953 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.823 3.594 -2.176 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.535 4.739 -1.526 1.00 0.00 C ATOM 1382 C LEU A 96 -7.959 6.170 -1.832 1.00 0.00 C ATOM 1383 O LEU A 96 -8.739 7.117 -1.935 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.658 4.497 0.007 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.421 3.236 0.504 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.263 3.085 2.028 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.915 3.257 0.139 1.00 0.00 C ATOM 0 H LEU A 96 -7.411 2.939 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.523 4.753 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.649 4.456 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.144 5.370 0.442 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.976 2.381 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.802 2.199 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.206 2.983 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.669 3.966 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.393 2.352 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.388 4.130 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.024 3.305 -0.944 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.633 6.337 -2.018 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.034 7.544 -2.669 1.00 0.00 C ATOM 1401 C GLU A 97 -6.442 7.781 -4.167 1.00 0.00 C ATOM 1402 O GLU A 97 -6.702 8.926 -4.540 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.490 7.462 -2.510 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.976 7.668 -1.063 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.513 7.294 -0.864 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.349 5.943 -0.750 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.602 8.114 -0.804 1.00 0.00 O ATOM 0 H GLU A 97 -5.941 5.647 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.444 8.415 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.153 6.488 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.032 8.213 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.114 8.713 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.587 7.074 -0.384 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.543 6.731 -5.010 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.290 6.809 -6.302 1.00 0.00 C ATOM 1416 C GLY A 98 -8.809 7.133 -6.243 1.00 0.00 C ATOM 1417 O GLY A 98 -9.293 7.943 -7.034 1.00 0.00 O ATOM 0 H GLY A 98 -6.122 5.820 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.810 7.567 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.171 5.855 -6.816 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.552 6.531 -5.302 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.961 6.915 -4.981 1.00 0.00 C ATOM 1423 C GLN A 99 -11.077 8.101 -3.950 1.00 0.00 C ATOM 1424 O GLN A 99 -11.796 8.018 -2.947 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.690 5.630 -4.478 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.796 4.408 -5.430 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.647 4.623 -6.684 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.862 4.463 -6.682 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.045 5.000 -7.786 1.00 0.00 N ATOM 0 H GLN A 99 -9.204 5.760 -4.733 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.436 7.302 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.185 5.298 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.703 5.915 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.791 4.121 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.209 3.568 -4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.034 5.135 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.588 5.158 -8.635 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.391 9.220 -4.227 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.364 10.420 -3.350 1.00 0.00 C ATOM 1440 C GLN A 100 -10.978 11.656 -4.056 1.00 0.00 C ATOM 1441 O GLN A 100 -11.720 12.405 -3.378 1.00 0.00 O ATOM 1442 CB GLN A 100 -8.912 10.649 -2.847 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.749 11.554 -1.592 1.00 0.00 C ATOM 1444 CD GLN A 100 -8.576 13.062 -1.819 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -7.483 13.609 -1.718 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -9.625 13.797 -2.095 1.00 0.00 N ATOM 1447 OXT GLN A 100 -10.691 11.927 -5.246 1.00 0.00 O ATOM 0 H GLN A 100 -9.831 9.327 -5.073 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.994 10.254 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.469 9.677 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.334 11.086 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.623 11.408 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.885 11.198 -1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.543 13.362 -2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.523 14.804 -2.221 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.347 0.094 7.327 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.780 3.037 9.045 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.444 1.663 6.239 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.453 -2.806 6.070 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.170 -1.133 8.138 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.301 1.770 7.704 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.640 2.855 8.374 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.785 3.912 8.342 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.797 3.493 7.571 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.199 2.261 7.162 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.550 4.347 7.261 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.857 5.329 8.973 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.754 6.295 8.160 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.760 7.764 8.609 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.640 8.049 9.824 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.878 8.650 7.734 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.841 -0.390 6.333 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.739 0.313 5.766 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.962 -0.415 4.872 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.432 -1.712 4.927 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.527 -1.682 5.816 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.813 0.120 4.010 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.935 -2.909 4.088 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.566 -3.421 4.561 1.00 0.00 C HETATM 1481 NC HEC A 101 -17.035 -1.641 7.334 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.621 -2.700 6.717 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.506 -3.724 6.692 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.620 -3.225 7.230 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.267 -1.962 7.587 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.383 -5.155 6.142 1.00 0.00 C HETATM 1487 CAC HEC A 101 -20.015 -3.918 7.232 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.089 -5.240 8.012 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.734 0.894 8.207 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.940 0.261 8.552 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.755 0.992 9.429 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.071 2.155 9.716 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.874 2.067 8.996 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.104 0.575 10.031 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.546 3.301 10.624 1.00 0.00 C HETATM 1496 CBD HEC A 101 -19.085 3.117 12.082 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.486 4.264 13.006 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.693 4.433 13.284 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.597 5.001 13.475 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.819 0.391 9.229 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.975 -0.334 10.618 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.477 1.372 10.674 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.171 -5.117 5.073 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.572 -5.673 6.654 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.318 -5.690 6.308 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.187 0.902 3.350 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.035 0.530 4.654 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.398 -0.692 3.412 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.854 5.270 6.767 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -12.033 4.587 8.190 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.880 3.789 6.607 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.502 2.188 12.470 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -18.000 3.011 12.099 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.388 -5.956 7.582 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.831 -5.062 9.056 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.101 -5.642 7.952 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.830 -2.621 4.478 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.637 -3.743 5.600 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.258 -4.263 3.941 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.438 6.258 7.117 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.778 5.923 8.197 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.165 4.248 10.241 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.634 3.360 10.593 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.241 5.251 9.990 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.851 5.744 9.043 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.172 -1.532 8.294 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.165 -3.792 5.705 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.586 2.195 5.828 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.899 3.937 9.648 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.823 8.889 7.636 1.00 0.00 H new