USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=16 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 47 SER OG : rot 141:sc= 1.3 USER MOD Set 1.2: A 50 MET CE :methyl 144:sc= -0.0593 (180deg=-2.19!) USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.353 USER MOD Set 1.4: A 101 HEC O2D : rot -10:sc= 0.388 USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0 X(o=0.64,f=0.55) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.639 K(o=0.64,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0496 (180deg=-0.254) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0.841 (180deg=0.784) USER MOD Single : A 23 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 169:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0.607 (180deg=0.586) USER MOD Single : A 53 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.32) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 63 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.81) USER MOD Single : A 67 THR OG1 : rot -49:sc= 0.777 USER MOD Single : A 68 ASN : amide:sc= 0.262 X(o=0.26,f=0) 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+ -127:sc= 0 (180deg=-0.568) USER MOD Single : A 78 MET CE :methyl -178:sc= 0 (180deg=-0.00817) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0.809 (180deg=0.748) USER MOD Single : A 91 ASN : amide:sc= 0.773 K(o=0.77,f=-4.1!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.686 K(o=0.69,f=-0.11) USER MOD Single : A 101 HEC O2A : rot 54:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.425 2.065 -1.253 1.00 0.00 N ATOM 2 CA MET A 1 2.502 0.855 -0.389 1.00 0.00 C ATOM 3 C MET A 1 3.508 -0.187 -0.966 1.00 0.00 C ATOM 4 O MET A 1 4.653 -0.226 -0.510 1.00 0.00 O ATOM 5 CB MET A 1 1.075 0.328 -0.060 1.00 0.00 C ATOM 6 CG MET A 1 0.253 1.208 0.907 1.00 0.00 C ATOM 7 SD MET A 1 -1.400 0.516 1.135 1.00 0.00 S ATOM 8 CE MET A 1 -1.114 -0.637 2.491 1.00 0.00 C ATOM 0 H1 MET A 1 2.862 2.871 -0.762 1.00 0.00 H new ATOM 0 H2 MET A 1 2.930 1.888 -2.145 1.00 0.00 H new ATOM 0 H3 MET A 1 1.429 2.283 -1.457 1.00 0.00 H new ATOM 0 HA MET A 1 2.927 1.110 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.520 0.225 -0.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.164 -0.670 0.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.762 1.276 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.179 2.222 0.513 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.047 -1.140 2.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.373 -1.377 2.189 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.749 -0.092 3.361 1.00 0.00 H new ATOM 19 N ALA A 2 3.097 -1.023 -1.938 1.00 0.00 N ATOM 20 CA ALA A 2 3.982 -2.036 -2.580 1.00 0.00 C ATOM 21 C ALA A 2 3.985 -1.895 -4.135 1.00 0.00 C ATOM 22 O ALA A 2 3.373 -2.685 -4.861 1.00 0.00 O ATOM 23 CB ALA A 2 3.504 -3.420 -2.096 1.00 0.00 C ATOM 0 H ALA A 2 2.146 -1.022 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 2 5.022 -1.889 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.126 -4.196 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.582 -3.473 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.466 -3.571 -2.393 1.00 0.00 H new ATOM 29 N ASP A 3 4.698 -0.880 -4.647 1.00 0.00 N ATOM 30 CA ASP A 3 4.761 -0.574 -6.101 1.00 0.00 C ATOM 31 C ASP A 3 6.169 -0.990 -6.657 1.00 0.00 C ATOM 32 O ASP A 3 7.133 -0.251 -6.426 1.00 0.00 O ATOM 33 CB ASP A 3 4.457 0.932 -6.331 1.00 0.00 C ATOM 34 CG ASP A 3 3.018 1.360 -6.043 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.085 1.170 -6.816 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.888 1.978 -4.837 1.00 0.00 O ATOM 0 H ASP A 3 5.250 -0.243 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 3 4.008 -1.144 -6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.126 1.521 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.692 1.179 -7.366 1.00 0.00 H new ATOM 41 N PRO A 4 6.360 -2.124 -7.397 1.00 0.00 N ATOM 42 CA PRO A 4 7.712 -2.572 -7.854 1.00 0.00 C ATOM 43 C PRO A 4 8.423 -1.718 -8.960 1.00 0.00 C ATOM 44 O PRO A 4 9.651 -1.607 -8.955 1.00 0.00 O ATOM 45 CB PRO A 4 7.443 -4.037 -8.252 1.00 0.00 C ATOM 46 CG PRO A 4 5.967 -4.093 -8.647 1.00 0.00 C ATOM 47 CD PRO A 4 5.282 -3.073 -7.737 1.00 0.00 C ATOM 0 HA PRO A 4 8.457 -2.446 -7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.082 -4.341 -9.081 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.653 -4.713 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.829 -3.841 -9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.556 -5.092 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.456 -2.575 -8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.869 -3.546 -6.846 1.00 0.00 H new ATOM 55 N ALA A 5 7.658 -1.062 -9.850 1.00 0.00 N ATOM 56 CA ALA A 5 8.178 0.004 -10.753 1.00 0.00 C ATOM 57 C ALA A 5 8.717 1.301 -10.054 1.00 0.00 C ATOM 58 O ALA A 5 9.735 1.842 -10.486 1.00 0.00 O ATOM 59 CB ALA A 5 7.059 0.310 -11.765 1.00 0.00 C ATOM 0 H ALA A 5 6.662 -1.248 -9.971 1.00 0.00 H new ATOM 0 HA ALA A 5 9.077 -0.377 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.392 1.088 -12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.820 -0.593 -12.328 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.171 0.651 -11.233 1.00 0.00 H new ATOM 65 N ALA A 6 8.100 1.756 -8.947 1.00 0.00 N ATOM 66 CA ALA A 6 8.767 2.689 -7.993 1.00 0.00 C ATOM 67 C ALA A 6 9.961 2.104 -7.154 1.00 0.00 C ATOM 68 O ALA A 6 10.866 2.854 -6.783 1.00 0.00 O ATOM 69 CB ALA A 6 7.661 3.259 -7.089 1.00 0.00 C ATOM 0 H ALA A 6 7.148 1.500 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 6 9.266 3.457 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.099 3.951 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.928 3.786 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.171 2.444 -6.556 1.00 0.00 H new ATOM 75 N GLY A 7 10.001 0.784 -6.884 1.00 0.00 N ATOM 76 CA GLY A 7 11.153 0.114 -6.224 1.00 0.00 C ATOM 77 C GLY A 7 12.502 0.065 -6.970 1.00 0.00 C ATOM 78 O GLY A 7 13.545 0.188 -6.326 1.00 0.00 O ATOM 0 H GLY A 7 9.238 0.147 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.321 0.609 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.858 -0.912 -6.004 1.00 0.00 H new ATOM 82 N GLU A 8 12.494 -0.051 -8.309 1.00 0.00 N ATOM 83 CA GLU A 8 13.710 0.252 -9.132 1.00 0.00 C ATOM 84 C GLU A 8 14.220 1.739 -9.114 1.00 0.00 C ATOM 85 O GLU A 8 15.425 1.970 -9.229 1.00 0.00 O ATOM 86 CB GLU A 8 13.588 -0.370 -10.551 1.00 0.00 C ATOM 87 CG GLU A 8 12.562 0.202 -11.565 1.00 0.00 C ATOM 88 CD GLU A 8 12.922 1.525 -12.244 1.00 0.00 C ATOM 89 OE1 GLU A 8 14.055 1.423 -12.999 1.00 0.00 O ATOM 90 OE2 GLU A 8 12.257 2.550 -12.133 1.00 0.00 O ATOM 0 H GLU A 8 11.681 -0.346 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 8 14.532 -0.248 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.572 -0.310 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.361 -1.428 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.401 -0.545 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.612 0.334 -11.048 1.00 0.00 H new ATOM 97 N LYS A 9 13.327 2.726 -8.903 1.00 0.00 N ATOM 98 CA LYS A 9 13.704 4.134 -8.567 1.00 0.00 C ATOM 99 C LYS A 9 14.375 4.273 -7.160 1.00 0.00 C ATOM 100 O LYS A 9 15.455 4.856 -7.044 1.00 0.00 O ATOM 101 CB LYS A 9 12.473 5.087 -8.671 1.00 0.00 C ATOM 102 CG LYS A 9 11.599 4.944 -9.932 1.00 0.00 C ATOM 103 CD LYS A 9 10.495 6.011 -10.040 1.00 0.00 C ATOM 104 CE LYS A 9 9.589 5.766 -11.255 1.00 0.00 C ATOM 105 NZ LYS A 9 8.516 6.778 -11.295 1.00 0.00 N ATOM 0 H LYS A 9 12.319 2.580 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 9 14.449 4.428 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.841 4.925 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.832 6.115 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.236 5.002 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.139 3.956 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.894 6.007 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.949 6.999 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.176 5.810 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.156 4.767 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.907 6.606 -12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.948 6.716 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.936 7.727 -11.367 1.00 0.00 H new ATOM 118 N VAL A 10 13.759 3.686 -6.112 1.00 0.00 N ATOM 119 CA VAL A 10 14.383 3.548 -4.752 1.00 0.00 C ATOM 120 C VAL A 10 15.752 2.761 -4.740 1.00 0.00 C ATOM 121 O VAL A 10 16.675 3.181 -4.034 1.00 0.00 O ATOM 122 CB VAL A 10 13.353 3.006 -3.695 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.907 3.004 -2.249 1.00 0.00 C ATOM 124 CG2 VAL A 10 12.012 3.779 -3.611 1.00 0.00 C ATOM 0 H VAL A 10 12.820 3.292 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 10 14.657 4.559 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 10 13.176 1.999 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.147 2.619 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.793 2.371 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.171 4.021 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.376 3.323 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.207 4.818 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.509 3.741 -4.577 1.00 0.00 H new ATOM 134 N PHE A 11 15.934 1.691 -5.550 1.00 0.00 N ATOM 135 CA PHE A 11 17.282 1.112 -5.845 1.00 0.00 C ATOM 136 C PHE A 11 18.391 2.092 -6.380 1.00 0.00 C ATOM 137 O PHE A 11 19.571 1.812 -6.158 1.00 0.00 O ATOM 138 CB PHE A 11 17.112 -0.129 -6.771 1.00 0.00 C ATOM 139 CG PHE A 11 18.368 -1.019 -6.892 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.739 -1.853 -5.832 1.00 0.00 C ATOM 141 CD2 PHE A 11 19.205 -0.922 -8.010 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.930 -2.574 -5.885 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.396 -1.645 -8.062 1.00 0.00 C ATOM 144 CZ PHE A 11 20.761 -2.465 -6.997 1.00 0.00 C ATOM 0 H PHE A 11 15.167 1.205 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 11 17.685 0.831 -4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.288 -0.736 -6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.828 0.213 -7.766 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.098 -1.939 -4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.927 -0.284 -8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.209 -3.217 -5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.036 -1.569 -8.929 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.689 -3.016 -7.034 1.00 0.00 H new ATOM 154 N GLY A 12 18.065 3.241 -7.004 1.00 0.00 N ATOM 155 CA GLY A 12 19.061 4.324 -7.264 1.00 0.00 C ATOM 156 C GLY A 12 19.908 4.889 -6.085 1.00 0.00 C ATOM 157 O GLY A 12 21.059 5.276 -6.288 1.00 0.00 O ATOM 0 H GLY A 12 17.125 3.452 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.756 3.954 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.524 5.161 -7.710 1.00 0.00 H new ATOM 161 N LYS A 13 19.361 4.889 -4.860 1.00 0.00 N ATOM 162 CA LYS A 13 20.153 5.072 -3.603 1.00 0.00 C ATOM 163 C LYS A 13 21.100 3.878 -3.210 1.00 0.00 C ATOM 164 O LYS A 13 22.166 4.110 -2.634 1.00 0.00 O ATOM 165 CB LYS A 13 19.157 5.398 -2.456 1.00 0.00 C ATOM 166 CG LYS A 13 18.505 6.801 -2.524 1.00 0.00 C ATOM 167 CD LYS A 13 17.309 6.996 -1.564 1.00 0.00 C ATOM 168 CE LYS A 13 15.974 6.382 -2.038 1.00 0.00 C ATOM 169 NZ LYS A 13 15.385 7.135 -3.167 1.00 0.00 N ATOM 0 H LYS A 13 18.362 4.764 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 13 20.848 5.892 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.366 4.648 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.681 5.305 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.262 7.552 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.169 6.983 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.566 6.563 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.162 8.064 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.138 5.347 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.268 6.364 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.490 6.688 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.204 8.116 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.046 7.131 -3.970 1.00 0.00 H new ATOM 182 N CYS A 14 20.721 2.622 -3.505 1.00 0.00 N ATOM 183 CA CYS A 14 21.593 1.430 -3.326 1.00 0.00 C ATOM 184 C CYS A 14 22.677 1.187 -4.437 1.00 0.00 C ATOM 185 O CYS A 14 23.759 0.682 -4.121 1.00 0.00 O ATOM 186 CB CYS A 14 20.658 0.200 -3.214 1.00 0.00 C ATOM 187 SG CYS A 14 19.110 0.497 -2.311 1.00 0.00 S ATOM 0 H CYS A 14 19.798 2.396 -3.876 1.00 0.00 H new ATOM 0 HA CYS A 14 22.187 1.605 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.415 -0.146 -4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.200 -0.607 -2.721 1.00 0.00 H new ATOM 192 N LYS A 15 22.389 1.501 -5.721 1.00 0.00 N ATOM 193 CA LYS A 15 23.197 1.044 -6.896 1.00 0.00 C ATOM 194 C LYS A 15 24.712 1.425 -6.992 1.00 0.00 C ATOM 195 O LYS A 15 25.496 0.656 -7.554 1.00 0.00 O ATOM 196 CB LYS A 15 22.427 1.370 -8.208 1.00 0.00 C ATOM 197 CG LYS A 15 22.441 2.838 -8.700 1.00 0.00 C ATOM 198 CD LYS A 15 21.622 3.034 -9.990 1.00 0.00 C ATOM 199 CE LYS A 15 21.609 4.504 -10.442 1.00 0.00 C ATOM 200 NZ LYS A 15 20.775 4.660 -11.648 1.00 0.00 N ATOM 0 H LYS A 15 21.590 2.079 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 15 23.291 -0.029 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.836 0.745 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.388 1.071 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.042 3.484 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.471 3.149 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.040 2.414 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.599 2.695 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.224 5.135 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.626 4.837 -10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.774 5.657 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.160 4.072 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.801 4.361 -11.438 1.00 0.00 H new ATOM 213 N ALA A 16 25.129 2.582 -6.445 1.00 0.00 N ATOM 214 CA ALA A 16 26.571 2.927 -6.291 1.00 0.00 C ATOM 215 C ALA A 16 27.415 1.979 -5.371 1.00 0.00 C ATOM 216 O ALA A 16 28.588 1.731 -5.660 1.00 0.00 O ATOM 217 CB ALA A 16 26.622 4.391 -5.813 1.00 0.00 C ATOM 0 H ALA A 16 24.493 3.301 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 16 27.053 2.788 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.661 4.696 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.145 5.033 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.096 4.482 -4.862 1.00 0.00 H new ATOM 223 N CYS A 17 26.815 1.443 -4.294 1.00 0.00 N ATOM 224 CA CYS A 17 27.419 0.355 -3.489 1.00 0.00 C ATOM 225 C CYS A 17 27.071 -1.110 -3.932 1.00 0.00 C ATOM 226 O CYS A 17 27.954 -1.967 -3.857 1.00 0.00 O ATOM 227 CB CYS A 17 27.011 0.604 -2.026 1.00 0.00 C ATOM 228 SG CYS A 17 27.501 2.254 -1.433 1.00 0.00 S ATOM 0 H CYS A 17 25.902 1.746 -3.954 1.00 0.00 H new ATOM 0 HA CYS A 17 28.498 0.400 -3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.931 0.494 -1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.467 -0.156 -1.391 1.00 0.00 H new ATOM 233 N HIS A 18 25.819 -1.417 -4.325 1.00 0.00 N ATOM 234 CA HIS A 18 25.344 -2.815 -4.562 1.00 0.00 C ATOM 235 C HIS A 18 24.900 -3.072 -6.039 1.00 0.00 C ATOM 236 O HIS A 18 24.334 -2.192 -6.693 1.00 0.00 O ATOM 237 CB HIS A 18 24.123 -3.072 -3.644 1.00 0.00 C ATOM 238 CG HIS A 18 24.393 -3.216 -2.152 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.761 -4.400 -1.569 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.997 -2.307 -1.170 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.500 -4.132 -0.260 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.966 -2.900 0.107 1.00 0.00 N ATOM 0 H HIS A 18 25.101 -0.711 -4.490 1.00 0.00 H new ATOM 0 HA HIS A 18 26.178 -3.483 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.418 -2.252 -3.782 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.627 -3.980 -3.987 1.00 0.00 H new ATOM 0 HD1 HIS A 18 25.129 -5.249 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.745 -1.275 -1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.708 -4.876 0.495 1.00 0.00 H new ATOM 250 N LYS A 19 25.065 -4.316 -6.532 1.00 0.00 N ATOM 251 CA LYS A 19 24.601 -4.713 -7.899 1.00 0.00 C ATOM 252 C LYS A 19 23.577 -5.901 -7.849 1.00 0.00 C ATOM 253 O LYS A 19 23.673 -6.816 -7.023 1.00 0.00 O ATOM 254 CB LYS A 19 25.810 -5.041 -8.827 1.00 0.00 C ATOM 255 CG LYS A 19 26.954 -3.999 -8.933 1.00 0.00 C ATOM 256 CD LYS A 19 26.551 -2.639 -9.546 1.00 0.00 C ATOM 257 CE LYS A 19 27.674 -1.587 -9.509 1.00 0.00 C ATOM 258 NZ LYS A 19 27.834 -1.014 -8.155 1.00 0.00 N ATOM 0 H LYS A 19 25.514 -5.070 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 19 24.074 -3.859 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.246 -5.981 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.422 -5.214 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.358 -3.824 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.758 -4.426 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 19 26.244 -2.793 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.684 -2.252 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.612 -2.043 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.451 -0.790 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.691 -0.426 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 27.005 -0.430 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.919 -1.783 -7.460 1.00 0.00 H new ATOM 271 N LEU A 20 22.609 -5.900 -8.784 1.00 0.00 N ATOM 272 CA LEU A 20 21.642 -7.031 -8.981 1.00 0.00 C ATOM 273 C LEU A 20 22.012 -8.086 -10.088 1.00 0.00 C ATOM 274 O LEU A 20 21.147 -8.869 -10.489 1.00 0.00 O ATOM 275 CB LEU A 20 20.244 -6.382 -9.250 1.00 0.00 C ATOM 276 CG LEU A 20 19.486 -5.852 -8.004 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.419 -4.824 -8.413 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.786 -6.983 -7.235 1.00 0.00 C ATOM 0 H LEU A 20 22.463 -5.124 -9.430 1.00 0.00 H new ATOM 0 HA LEU A 20 21.659 -7.637 -8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.378 -5.555 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.614 -7.119 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 20 20.234 -5.389 -7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.900 -4.465 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.897 -3.984 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.702 -5.292 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.268 -6.569 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.066 -7.476 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.527 -7.708 -6.900 1.00 0.00 H new ATOM 290 N ASP A 21 23.272 -8.164 -10.559 1.00 0.00 N ATOM 291 CA ASP A 21 23.688 -9.146 -11.609 1.00 0.00 C ATOM 292 C ASP A 21 24.965 -9.941 -11.186 1.00 0.00 C ATOM 293 O ASP A 21 25.991 -9.903 -11.874 1.00 0.00 O ATOM 294 CB ASP A 21 23.857 -8.398 -12.964 1.00 0.00 C ATOM 295 CG ASP A 21 22.576 -7.829 -13.574 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.813 -8.790 -14.163 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.265 -6.643 -13.530 1.00 0.00 O ATOM 0 H ASP A 21 24.029 -7.562 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 21 22.910 -9.900 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.563 -7.580 -12.820 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.306 -9.084 -13.683 1.00 0.00 H new ATOM 302 N GLY A 22 24.934 -10.664 -10.046 1.00 0.00 N ATOM 303 CA GLY A 22 26.140 -11.391 -9.539 1.00 0.00 C ATOM 304 C GLY A 22 27.255 -10.567 -8.840 1.00 0.00 C ATOM 305 O GLY A 22 27.813 -11.013 -7.836 1.00 0.00 O ATOM 0 H GLY A 22 24.105 -10.765 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.799 -12.152 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.592 -11.914 -10.382 1.00 0.00 H new ATOM 309 N ASN A 23 27.601 -9.397 -9.396 1.00 0.00 N ATOM 310 CA ASN A 23 28.723 -8.539 -8.921 1.00 0.00 C ATOM 311 C ASN A 23 28.447 -7.841 -7.543 1.00 0.00 C ATOM 312 O ASN A 23 27.303 -7.689 -7.104 1.00 0.00 O ATOM 313 CB ASN A 23 29.080 -7.466 -10.000 1.00 0.00 C ATOM 314 CG ASN A 23 29.056 -7.817 -11.494 1.00 0.00 C ATOM 315 OD1 ASN A 23 28.213 -7.349 -12.249 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.943 -8.650 -11.970 1.00 0.00 N ATOM 0 H ASN A 23 27.110 -9.005 -10.199 1.00 0.00 H new ATOM 0 HA ASN A 23 29.568 -9.209 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.398 -6.628 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.082 -7.103 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.927 -8.902 -12.958 1.00 0.00 H new ATOM 0 HD22 ASN A 23 30.651 -9.048 -11.353 1.00 0.00 H new ATOM 323 N ASP A 24 29.518 -7.397 -6.871 1.00 0.00 N ATOM 324 CA ASP A 24 29.431 -6.836 -5.490 1.00 0.00 C ATOM 325 C ASP A 24 29.508 -5.272 -5.536 1.00 0.00 C ATOM 326 O ASP A 24 28.461 -4.622 -5.623 1.00 0.00 O ATOM 327 CB ASP A 24 30.443 -7.582 -4.565 1.00 0.00 C ATOM 328 CG ASP A 24 30.215 -9.093 -4.404 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.436 -9.596 -3.601 1.00 0.00 O ATOM 330 OD2 ASP A 24 30.973 -9.822 -5.269 1.00 0.00 O ATOM 0 H ASP A 24 30.464 -7.410 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 24 28.462 -7.021 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.448 -7.425 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.411 -7.122 -3.577 1.00 0.00 H new ATOM 335 N GLY A 25 30.716 -4.677 -5.511 1.00 0.00 N ATOM 336 CA GLY A 25 30.903 -3.199 -5.528 1.00 0.00 C ATOM 337 C GLY A 25 31.540 -2.672 -4.225 1.00 0.00 C ATOM 338 O GLY A 25 32.698 -2.978 -3.930 1.00 0.00 O ATOM 0 H GLY A 25 31.592 -5.198 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.533 -2.925 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.938 -2.715 -5.679 1.00 0.00 H new ATOM 342 N VAL A 26 30.775 -1.893 -3.451 1.00 0.00 N ATOM 343 CA VAL A 26 31.129 -1.546 -2.031 1.00 0.00 C ATOM 344 C VAL A 26 30.421 -2.531 -1.034 1.00 0.00 C ATOM 345 O VAL A 26 31.089 -3.060 -0.143 1.00 0.00 O ATOM 346 CB VAL A 26 30.868 -0.035 -1.682 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.348 0.360 -0.264 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.506 0.972 -2.667 1.00 0.00 C ATOM 0 H VAL A 26 29.898 -1.479 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 26 32.206 -1.676 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 26 29.782 0.032 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.137 1.415 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.824 -0.242 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.421 0.186 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.275 1.989 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.587 0.833 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.107 0.805 -3.667 1.00 0.00 H new ATOM 358 N GLY A 27 29.099 -2.770 -1.165 1.00 0.00 N ATOM 359 CA GLY A 27 28.432 -3.929 -0.521 1.00 0.00 C ATOM 360 C GLY A 27 28.417 -5.245 -1.350 1.00 0.00 C ATOM 361 O GLY A 27 28.925 -5.266 -2.475 1.00 0.00 O ATOM 0 H GLY A 27 28.471 -2.179 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.926 -4.126 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.402 -3.652 -0.294 1.00 0.00 H new ATOM 365 N PRO A 28 27.818 -6.369 -0.864 1.00 0.00 N ATOM 366 CA PRO A 28 27.628 -7.595 -1.689 1.00 0.00 C ATOM 367 C PRO A 28 26.601 -7.454 -2.865 1.00 0.00 C ATOM 368 O PRO A 28 25.959 -6.416 -3.052 1.00 0.00 O ATOM 369 CB PRO A 28 27.193 -8.611 -0.607 1.00 0.00 C ATOM 370 CG PRO A 28 26.481 -7.768 0.449 1.00 0.00 C ATOM 371 CD PRO A 28 27.350 -6.519 0.526 1.00 0.00 C ATOM 0 HA PRO A 28 28.522 -7.878 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.530 -9.371 -1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.052 -9.133 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.458 -7.532 0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.427 -8.283 1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.783 -5.650 0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.179 -6.644 1.222 1.00 0.00 H new ATOM 379 N HIS A 29 26.400 -8.527 -3.646 1.00 0.00 N ATOM 380 CA HIS A 29 25.255 -8.610 -4.598 1.00 0.00 C ATOM 381 C HIS A 29 23.865 -8.663 -3.884 1.00 0.00 C ATOM 382 O HIS A 29 23.733 -9.305 -2.836 1.00 0.00 O ATOM 383 CB HIS A 29 25.490 -9.798 -5.578 1.00 0.00 C ATOM 384 CG HIS A 29 25.218 -11.244 -5.126 1.00 0.00 C ATOM 385 ND1 HIS A 29 25.457 -11.765 -3.860 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.705 -12.240 -5.968 1.00 0.00 C ATOM 387 CE1 HIS A 29 25.042 -13.058 -4.071 1.00 0.00 C ATOM 388 NE2 HIS A 29 24.570 -13.435 -5.293 1.00 0.00 N ATOM 0 H HIS A 29 27.004 -9.349 -3.646 1.00 0.00 H new ATOM 0 HA HIS A 29 25.218 -7.688 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.876 -9.615 -6.460 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.531 -9.751 -5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.450 -12.092 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 29 25.090 -13.777 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 29 24.219 -14.337 -5.614 1.00 0.00 H new ATOM 396 N LEU A 30 22.823 -8.025 -4.441 1.00 0.00 N ATOM 397 CA LEU A 30 21.438 -8.122 -3.878 1.00 0.00 C ATOM 398 C LEU A 30 20.423 -9.012 -4.662 1.00 0.00 C ATOM 399 O LEU A 30 19.273 -9.114 -4.227 1.00 0.00 O ATOM 400 CB LEU A 30 20.922 -6.689 -3.576 1.00 0.00 C ATOM 401 CG LEU A 30 21.613 -5.957 -2.391 1.00 0.00 C ATOM 402 CD1 LEU A 30 21.056 -4.530 -2.269 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.460 -6.661 -1.024 1.00 0.00 C ATOM 0 H LEU A 30 22.896 -7.439 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 30 21.517 -8.689 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 30 21.044 -6.083 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.853 -6.744 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 30 22.677 -5.960 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.542 -4.019 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 30 21.249 -3.984 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.982 -4.573 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.973 -6.081 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.402 -6.741 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.897 -7.658 -1.077 1.00 0.00 H new ATOM 415 N ASN A 31 20.829 -9.729 -5.731 1.00 0.00 N ATOM 416 CA ASN A 31 19.979 -10.770 -6.372 1.00 0.00 C ATOM 417 C ASN A 31 19.928 -12.069 -5.498 1.00 0.00 C ATOM 418 O ASN A 31 20.956 -12.656 -5.138 1.00 0.00 O ATOM 419 CB ASN A 31 20.357 -10.985 -7.861 1.00 0.00 C ATOM 420 CG ASN A 31 21.793 -11.406 -8.200 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.736 -10.627 -8.101 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.007 -12.623 -8.641 1.00 0.00 N ATOM 0 H ASN A 31 21.740 -9.610 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 31 18.949 -10.416 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.686 -11.741 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.150 -10.056 -8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.950 -12.914 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 31 21.230 -13.278 -8.727 1.00 0.00 H new ATOM 429 N GLY A 32 18.716 -12.433 -5.064 1.00 0.00 N ATOM 430 CA GLY A 32 18.487 -13.451 -4.012 1.00 0.00 C ATOM 431 C GLY A 32 18.758 -12.989 -2.566 1.00 0.00 C ATOM 432 O GLY A 32 19.485 -13.680 -1.852 1.00 0.00 O ATOM 0 H GLY A 32 17.854 -12.030 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.453 -13.789 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.119 -14.314 -4.223 1.00 0.00 H new ATOM 436 N VAL A 33 18.213 -11.832 -2.149 1.00 0.00 N ATOM 437 CA VAL A 33 18.368 -11.304 -0.749 1.00 0.00 C ATOM 438 C VAL A 33 17.117 -11.470 0.191 1.00 0.00 C ATOM 439 O VAL A 33 17.308 -11.681 1.394 1.00 0.00 O ATOM 440 CB VAL A 33 18.970 -9.858 -0.754 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.992 -8.716 -1.125 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.642 -9.545 0.602 1.00 0.00 C ATOM 0 H VAL A 33 17.655 -11.229 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 33 19.094 -11.964 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 33 19.702 -9.879 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.519 -7.762 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.601 -8.884 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.167 -8.697 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.054 -8.536 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.903 -9.617 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.444 -10.261 0.785 1.00 0.00 H new ATOM 452 N VAL A 34 15.861 -11.361 -0.296 1.00 0.00 N ATOM 453 CA VAL A 34 14.639 -11.512 0.562 1.00 0.00 C ATOM 454 C VAL A 34 14.440 -13.031 0.900 1.00 0.00 C ATOM 455 O VAL A 34 14.152 -13.846 0.019 1.00 0.00 O ATOM 456 CB VAL A 34 13.371 -10.854 -0.088 1.00 0.00 C ATOM 457 CG1 VAL A 34 12.122 -10.952 0.820 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.532 -9.355 -0.431 1.00 0.00 C ATOM 0 H VAL A 34 15.655 -11.169 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 34 14.785 -10.969 1.496 1.00 0.00 H new ATOM 0 HB VAL A 34 13.247 -11.428 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.273 -10.482 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.894 -12.000 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.317 -10.443 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.609 -8.982 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.749 -8.795 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.352 -9.230 -1.138 1.00 0.00 H new ATOM 468 N GLY A 35 14.660 -13.403 2.171 1.00 0.00 N ATOM 469 CA GLY A 35 14.900 -14.829 2.548 1.00 0.00 C ATOM 470 C GLY A 35 16.343 -15.402 2.444 1.00 0.00 C ATOM 471 O GLY A 35 16.502 -16.620 2.524 1.00 0.00 O ATOM 0 H GLY A 35 14.679 -12.753 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.568 -14.958 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.254 -15.448 1.925 1.00 0.00 H new ATOM 475 N ARG A 36 17.383 -14.562 2.316 1.00 0.00 N ATOM 476 CA ARG A 36 18.806 -14.969 2.481 1.00 0.00 C ATOM 477 C ARG A 36 19.261 -14.783 3.961 1.00 0.00 C ATOM 478 O ARG A 36 18.864 -13.810 4.609 1.00 0.00 O ATOM 479 CB ARG A 36 19.605 -14.020 1.544 1.00 0.00 C ATOM 480 CG ARG A 36 21.135 -14.238 1.409 1.00 0.00 C ATOM 481 CD ARG A 36 21.906 -12.985 0.948 1.00 0.00 C ATOM 482 NE ARG A 36 21.689 -12.677 -0.488 1.00 0.00 N ATOM 483 CZ ARG A 36 22.361 -11.772 -1.193 1.00 0.00 C ATOM 484 NH1 ARG A 36 23.263 -10.971 -0.686 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.108 -11.661 -2.463 1.00 0.00 N ATOM 0 H ARG A 36 17.269 -13.573 2.094 1.00 0.00 H new ATOM 0 HA ARG A 36 18.963 -16.019 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.169 -14.092 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.444 -12.999 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.532 -14.564 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.316 -15.045 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.596 -12.131 1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.971 -13.132 1.127 1.00 0.00 H new ATOM 0 HE ARG A 36 20.964 -13.204 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.487 -11.019 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.742 -10.298 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 36 21.407 -12.261 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.611 -10.974 -3.025 1.00 0.00 H new ATOM 499 N THR A 37 20.185 -15.626 4.466 1.00 0.00 N ATOM 500 CA THR A 37 20.899 -15.349 5.753 1.00 0.00 C ATOM 501 C THR A 37 21.574 -13.935 5.834 1.00 0.00 C ATOM 502 O THR A 37 22.035 -13.360 4.838 1.00 0.00 O ATOM 503 CB THR A 37 21.905 -16.485 6.114 1.00 0.00 C ATOM 504 OG1 THR A 37 22.301 -16.377 7.476 1.00 0.00 O ATOM 505 CG2 THR A 37 23.210 -16.440 5.313 1.00 0.00 C ATOM 0 H THR A 37 20.460 -16.499 4.016 1.00 0.00 H new ATOM 0 HA THR A 37 20.114 -15.333 6.509 1.00 0.00 H new ATOM 0 HB THR A 37 21.368 -17.407 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.931 -17.096 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.855 -17.262 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.988 -16.534 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.717 -15.492 5.496 1.00 0.00 H new ATOM 513 N VAL A 38 21.714 -13.441 7.062 1.00 0.00 N ATOM 514 CA VAL A 38 22.543 -12.252 7.371 1.00 0.00 C ATOM 515 C VAL A 38 24.040 -12.709 7.481 1.00 0.00 C ATOM 516 O VAL A 38 24.378 -13.565 8.306 1.00 0.00 O ATOM 517 CB VAL A 38 21.981 -11.551 8.654 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.719 -10.227 8.962 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.452 -11.299 8.638 1.00 0.00 C ATOM 0 H VAL A 38 21.260 -13.846 7.880 1.00 0.00 H new ATOM 0 HA VAL A 38 22.501 -11.502 6.581 1.00 0.00 H new ATOM 0 HB VAL A 38 22.171 -12.272 9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.297 -9.775 9.860 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.778 -10.429 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.603 -9.542 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.154 -10.811 9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.198 -10.659 7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.927 -12.250 8.544 1.00 0.00 H new ATOM 529 N ALA A 39 24.897 -12.181 6.581 1.00 0.00 N ATOM 530 CA ALA A 39 26.260 -12.718 6.294 1.00 0.00 C ATOM 531 C ALA A 39 26.256 -14.086 5.534 1.00 0.00 C ATOM 532 O ALA A 39 26.248 -15.153 6.155 1.00 0.00 O ATOM 533 CB ALA A 39 27.208 -12.716 7.510 1.00 0.00 C ATOM 0 H ALA A 39 24.666 -11.359 6.022 1.00 0.00 H new ATOM 0 HA ALA A 39 26.684 -11.995 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.177 -13.121 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.336 -11.695 7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.783 -13.330 8.304 1.00 0.00 H new ATOM 539 N GLY A 40 26.272 -14.057 4.189 1.00 0.00 N ATOM 540 CA GLY A 40 26.332 -15.305 3.381 1.00 0.00 C ATOM 541 C GLY A 40 26.497 -15.098 1.866 1.00 0.00 C ATOM 542 O GLY A 40 25.569 -15.368 1.100 1.00 0.00 O ATOM 0 H GLY A 40 26.245 -13.199 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.163 -15.912 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.420 -15.876 3.556 1.00 0.00 H new ATOM 546 N VAL A 41 27.688 -14.650 1.442 1.00 0.00 N ATOM 547 CA VAL A 41 28.055 -14.507 -0.001 1.00 0.00 C ATOM 548 C VAL A 41 29.560 -14.912 -0.103 1.00 0.00 C ATOM 549 O VAL A 41 30.433 -14.225 0.441 1.00 0.00 O ATOM 550 CB VAL A 41 27.764 -13.071 -0.575 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.249 -12.862 -2.033 1.00 0.00 C ATOM 552 CG2 VAL A 41 26.262 -12.712 -0.562 1.00 0.00 C ATOM 0 H VAL A 41 28.434 -14.373 2.080 1.00 0.00 H new ATOM 0 HA VAL A 41 27.436 -15.155 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 41 28.327 -12.424 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.011 -11.848 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.327 -13.015 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.750 -13.576 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.124 -11.710 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.711 -13.430 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.890 -12.742 0.462 1.00 0.00 H new ATOM 562 N ASP A 42 29.865 -16.009 -0.823 1.00 0.00 N ATOM 563 CA ASP A 42 31.260 -16.520 -0.982 1.00 0.00 C ATOM 564 C ASP A 42 32.121 -15.570 -1.880 1.00 0.00 C ATOM 565 O ASP A 42 31.974 -15.538 -3.106 1.00 0.00 O ATOM 566 CB ASP A 42 31.220 -17.964 -1.552 1.00 0.00 C ATOM 567 CG ASP A 42 30.633 -19.022 -0.618 1.00 0.00 C ATOM 568 OD1 ASP A 42 31.284 -19.620 0.231 1.00 0.00 O ATOM 569 OD2 ASP A 42 29.302 -19.221 -0.830 1.00 0.00 O ATOM 0 H ASP A 42 29.165 -16.569 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 42 31.740 -16.542 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 42 30.640 -17.956 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 42 32.235 -18.260 -1.816 1.00 0.00 H new ATOM 574 N GLY A 43 32.969 -14.751 -1.238 1.00 0.00 N ATOM 575 CA GLY A 43 33.557 -13.548 -1.889 1.00 0.00 C ATOM 576 C GLY A 43 33.590 -12.282 -1.006 1.00 0.00 C ATOM 577 O GLY A 43 34.639 -11.643 -0.912 1.00 0.00 O ATOM 0 H GLY A 43 33.268 -14.891 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.575 -13.782 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.989 -13.328 -2.793 1.00 0.00 H new ATOM 581 N PHE A 44 32.455 -11.893 -0.394 1.00 0.00 N ATOM 582 CA PHE A 44 32.384 -10.678 0.462 1.00 0.00 C ATOM 583 C PHE A 44 32.755 -10.975 1.956 1.00 0.00 C ATOM 584 O PHE A 44 32.189 -11.872 2.590 1.00 0.00 O ATOM 585 CB PHE A 44 30.964 -10.056 0.307 1.00 0.00 C ATOM 586 CG PHE A 44 30.882 -8.607 0.820 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.249 -7.550 -0.018 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.564 -8.344 2.156 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.323 -6.254 0.482 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.640 -7.047 2.656 1.00 0.00 C ATOM 591 CZ PHE A 44 31.017 -6.001 1.818 1.00 0.00 C ATOM 0 H PHE A 44 31.572 -12.397 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 44 33.130 -9.956 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.676 -10.080 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.244 -10.669 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.476 -7.740 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.258 -9.152 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.618 -5.442 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.407 -6.852 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.072 -4.994 2.203 1.00 0.00 H new ATOM 601 N ASN A 45 33.671 -10.170 2.530 1.00 0.00 N ATOM 602 CA ASN A 45 34.008 -10.229 3.979 1.00 0.00 C ATOM 603 C ASN A 45 33.040 -9.323 4.816 1.00 0.00 C ATOM 604 O ASN A 45 33.071 -8.093 4.716 1.00 0.00 O ATOM 605 CB ASN A 45 35.506 -9.841 4.122 1.00 0.00 C ATOM 606 CG ASN A 45 36.091 -10.019 5.527 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.147 -9.095 6.329 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.543 -11.199 5.880 1.00 0.00 N ATOM 0 H ASN A 45 34.197 -9.465 2.014 1.00 0.00 H new ATOM 0 HA ASN A 45 33.869 -11.233 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.089 -10.441 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.626 -8.799 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.934 -11.337 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.503 -11.978 5.223 1.00 0.00 H new ATOM 615 N TYR A 46 32.187 -9.951 5.640 1.00 0.00 N ATOM 616 CA TYR A 46 31.194 -9.231 6.490 1.00 0.00 C ATOM 617 C TYR A 46 31.746 -8.905 7.921 1.00 0.00 C ATOM 618 O TYR A 46 32.720 -9.507 8.391 1.00 0.00 O ATOM 619 CB TYR A 46 29.894 -10.088 6.574 1.00 0.00 C ATOM 620 CG TYR A 46 29.085 -10.260 5.277 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.359 -11.323 4.408 1.00 0.00 C ATOM 622 CD2 TYR A 46 28.034 -9.388 4.980 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.591 -11.505 3.261 1.00 0.00 C ATOM 624 CE2 TYR A 46 27.248 -9.589 3.850 1.00 0.00 C ATOM 625 CZ TYR A 46 27.526 -10.652 2.994 1.00 0.00 C ATOM 626 OH TYR A 46 26.745 -10.878 1.897 1.00 0.00 O ATOM 0 H TYR A 46 32.156 -10.965 5.744 1.00 0.00 H new ATOM 0 HA TYR A 46 30.979 -8.268 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.165 -11.079 6.938 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.241 -9.640 7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.168 -12.004 4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.831 -8.552 5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 46 28.823 -12.309 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 46 26.425 -8.923 3.637 1.00 0.00 H new ATOM 0 HH TYR A 46 25.946 -10.312 1.942 1.00 0.00 H new ATOM 636 N SER A 47 31.093 -7.973 8.648 1.00 0.00 N ATOM 637 CA SER A 47 31.479 -7.641 10.048 1.00 0.00 C ATOM 638 C SER A 47 31.159 -8.758 11.099 1.00 0.00 C ATOM 639 O SER A 47 30.297 -9.620 10.893 1.00 0.00 O ATOM 640 CB SER A 47 30.886 -6.256 10.424 1.00 0.00 C ATOM 641 OG SER A 47 29.480 -6.271 10.680 1.00 0.00 O ATOM 0 H SER A 47 30.300 -7.437 8.296 1.00 0.00 H new ATOM 0 HA SER A 47 32.567 -7.585 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.401 -5.881 11.308 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.089 -5.554 9.615 1.00 0.00 H new ATOM 0 HG SER A 47 29.278 -5.677 11.433 1.00 0.00 H new ATOM 647 N ASP A 48 31.851 -8.725 12.256 1.00 0.00 N ATOM 648 CA ASP A 48 31.602 -9.679 13.382 1.00 0.00 C ATOM 649 C ASP A 48 30.123 -9.744 13.928 1.00 0.00 C ATOM 650 O ASP A 48 29.604 -10.863 13.988 1.00 0.00 O ATOM 651 CB ASP A 48 32.631 -9.418 14.518 1.00 0.00 C ATOM 652 CG ASP A 48 33.037 -10.679 15.277 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.940 -11.427 14.920 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.277 -10.883 16.387 1.00 0.00 O ATOM 0 H ASP A 48 32.591 -8.049 12.446 1.00 0.00 H new ATOM 0 HA ASP A 48 31.744 -10.674 12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.522 -8.958 14.091 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.209 -8.701 15.222 1.00 0.00 H new ATOM 659 N PRO A 49 29.397 -8.641 14.293 1.00 0.00 N ATOM 660 CA PRO A 49 27.949 -8.713 14.645 1.00 0.00 C ATOM 661 C PRO A 49 26.944 -9.003 13.473 1.00 0.00 C ATOM 662 O PRO A 49 25.864 -9.542 13.723 1.00 0.00 O ATOM 663 CB PRO A 49 27.746 -7.368 15.364 1.00 0.00 C ATOM 664 CG PRO A 49 28.738 -6.409 14.707 1.00 0.00 C ATOM 665 CD PRO A 49 29.914 -7.260 14.244 1.00 0.00 C ATOM 0 HA PRO A 49 27.714 -9.586 15.254 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.722 -7.012 15.252 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.937 -7.460 16.433 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.278 -5.891 13.866 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.065 -5.645 15.412 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.231 -6.988 13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.779 -7.134 14.896 1.00 0.00 H new ATOM 673 N MET A 50 27.310 -8.724 12.205 1.00 0.00 N ATOM 674 CA MET A 50 26.633 -9.308 11.011 1.00 0.00 C ATOM 675 C MET A 50 26.735 -10.872 10.904 1.00 0.00 C ATOM 676 O MET A 50 25.712 -11.544 10.752 1.00 0.00 O ATOM 677 CB MET A 50 27.211 -8.566 9.775 1.00 0.00 C ATOM 678 CG MET A 50 26.415 -8.742 8.476 1.00 0.00 C ATOM 679 SD MET A 50 24.836 -7.896 8.624 1.00 0.00 S ATOM 680 CE MET A 50 24.782 -6.947 7.101 1.00 0.00 C ATOM 0 H MET A 50 28.077 -8.093 11.972 1.00 0.00 H new ATOM 0 HA MET A 50 25.556 -9.155 11.088 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.270 -7.502 10.005 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.231 -8.913 9.607 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.978 -8.339 7.634 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.255 -9.801 8.275 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.757 -6.909 6.732 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.138 -5.934 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.419 -7.421 6.354 1.00 0.00 H new ATOM 690 N LYS A 51 27.949 -11.442 11.032 1.00 0.00 N ATOM 691 CA LYS A 51 28.165 -12.913 11.178 1.00 0.00 C ATOM 692 C LYS A 51 27.536 -13.575 12.451 1.00 0.00 C ATOM 693 O LYS A 51 26.965 -14.662 12.337 1.00 0.00 O ATOM 694 CB LYS A 51 29.696 -13.175 11.071 1.00 0.00 C ATOM 695 CG LYS A 51 30.272 -13.083 9.636 1.00 0.00 C ATOM 696 CD LYS A 51 31.787 -12.812 9.599 1.00 0.00 C ATOM 697 CE LYS A 51 32.380 -12.989 8.190 1.00 0.00 C ATOM 698 NZ LYS A 51 33.686 -12.311 8.095 1.00 0.00 N ATOM 0 H LYS A 51 28.815 -10.903 11.038 1.00 0.00 H new ATOM 0 HA LYS A 51 27.620 -13.404 10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.218 -12.457 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.909 -14.167 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.065 -14.014 9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.756 -12.289 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 51 31.980 -11.797 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.291 -13.488 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.496 -14.050 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.696 -12.581 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.121 -12.523 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.551 -11.284 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.308 -12.647 8.858 1.00 0.00 H new ATOM 711 N ALA A 52 27.586 -12.929 13.634 1.00 0.00 N ATOM 712 CA ALA A 52 26.797 -13.360 14.824 1.00 0.00 C ATOM 713 C ALA A 52 25.230 -13.298 14.737 1.00 0.00 C ATOM 714 O ALA A 52 24.570 -14.015 15.492 1.00 0.00 O ATOM 715 CB ALA A 52 27.318 -12.548 16.023 1.00 0.00 C ATOM 0 H ALA A 52 28.163 -12.104 13.799 1.00 0.00 H new ATOM 0 HA ALA A 52 26.960 -14.434 14.917 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.768 -12.831 16.920 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.379 -12.753 16.168 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.177 -11.484 15.831 1.00 0.00 H new ATOM 721 N HIS A 53 24.629 -12.498 13.828 1.00 0.00 N ATOM 722 CA HIS A 53 23.172 -12.567 13.516 1.00 0.00 C ATOM 723 C HIS A 53 22.758 -13.923 12.841 1.00 0.00 C ATOM 724 O HIS A 53 21.993 -14.684 13.442 1.00 0.00 O ATOM 725 CB HIS A 53 22.781 -11.280 12.724 1.00 0.00 C ATOM 726 CG HIS A 53 21.282 -10.976 12.552 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.316 -11.899 12.162 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.706 -9.694 12.652 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.225 -11.075 12.083 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.357 -9.740 12.350 1.00 0.00 N ATOM 0 H HIS A 53 25.130 -11.790 13.291 1.00 0.00 H new ATOM 0 HA HIS A 53 22.587 -12.576 14.436 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.242 -10.427 13.222 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.226 -11.349 11.731 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.244 -8.799 12.927 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.261 -11.479 11.810 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.662 -8.994 12.332 1.00 0.00 H new ATOM 738 N GLY A 54 23.226 -14.223 11.610 1.00 0.00 N ATOM 739 CA GLY A 54 22.764 -15.417 10.850 1.00 0.00 C ATOM 740 C GLY A 54 21.296 -15.322 10.372 1.00 0.00 C ATOM 741 O GLY A 54 20.930 -14.366 9.689 1.00 0.00 O ATOM 0 H GLY A 54 23.921 -13.661 11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.410 -15.557 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.876 -16.301 11.477 1.00 0.00 H new ATOM 745 N GLY A 55 20.445 -16.296 10.727 1.00 0.00 N ATOM 746 CA GLY A 55 18.967 -16.171 10.559 1.00 0.00 C ATOM 747 C GLY A 55 18.468 -15.936 9.115 1.00 0.00 C ATOM 748 O GLY A 55 18.816 -16.716 8.226 1.00 0.00 O ATOM 0 H GLY A 55 20.743 -17.183 11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.500 -17.079 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.619 -15.347 11.182 1.00 0.00 H new ATOM 752 N ASP A 56 17.695 -14.858 8.881 1.00 0.00 N ATOM 753 CA ASP A 56 17.347 -14.404 7.506 1.00 0.00 C ATOM 754 C ASP A 56 16.984 -12.887 7.416 1.00 0.00 C ATOM 755 O ASP A 56 16.394 -12.296 8.328 1.00 0.00 O ATOM 756 CB ASP A 56 16.158 -15.222 6.914 1.00 0.00 C ATOM 757 CG ASP A 56 16.481 -16.622 6.403 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.205 -16.846 5.441 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.876 -17.596 7.136 1.00 0.00 O ATOM 0 H ASP A 56 17.296 -14.281 9.621 1.00 0.00 H new ATOM 0 HA ASP A 56 18.254 -14.573 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.388 -15.308 7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.727 -14.650 6.092 1.00 0.00 H new ATOM 764 N TRP A 57 17.216 -12.304 6.222 1.00 0.00 N ATOM 765 CA TRP A 57 16.587 -11.025 5.804 1.00 0.00 C ATOM 766 C TRP A 57 15.128 -11.218 5.278 1.00 0.00 C ATOM 767 O TRP A 57 14.869 -11.313 4.075 1.00 0.00 O ATOM 768 CB TRP A 57 17.507 -10.283 4.785 1.00 0.00 C ATOM 769 CG TRP A 57 18.702 -9.524 5.386 1.00 0.00 C ATOM 770 CD1 TRP A 57 20.059 -9.724 5.042 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.717 -8.638 6.461 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.918 -9.007 5.899 1.00 0.00 N ATOM 773 CE2 TRP A 57 20.069 -8.383 6.791 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.675 -8.139 7.292 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.390 -7.741 8.006 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.018 -7.491 8.475 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.356 -7.318 8.838 1.00 0.00 C ATOM 0 H TRP A 57 17.841 -12.701 5.520 1.00 0.00 H new ATOM 0 HA TRP A 57 16.488 -10.391 6.685 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.887 -11.013 4.071 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.897 -9.575 4.223 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.395 -10.347 4.226 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.936 -8.960 5.867 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.639 -8.261 7.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.421 -7.580 8.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.238 -7.116 9.122 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.593 -6.848 9.781 1.00 0.00 H new ATOM 788 N THR A 58 14.170 -11.234 6.216 1.00 0.00 N ATOM 789 CA THR A 58 12.710 -11.316 5.915 1.00 0.00 C ATOM 790 C THR A 58 12.104 -9.966 5.367 1.00 0.00 C ATOM 791 O THR A 58 12.673 -8.900 5.650 1.00 0.00 O ATOM 792 CB THR A 58 11.945 -11.783 7.202 1.00 0.00 C ATOM 793 OG1 THR A 58 12.123 -10.875 8.285 1.00 0.00 O ATOM 794 CG2 THR A 58 12.313 -13.185 7.719 1.00 0.00 C ATOM 0 H THR A 58 14.374 -11.191 7.214 1.00 0.00 H new ATOM 0 HA THR A 58 12.584 -12.044 5.113 1.00 0.00 H new ATOM 0 HB THR A 58 10.908 -11.812 6.867 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.630 -11.199 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.728 -13.409 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.098 -13.925 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.375 -13.215 7.965 1.00 0.00 H new ATOM 802 N PRO A 59 10.931 -9.923 4.652 1.00 0.00 N ATOM 803 CA PRO A 59 10.257 -8.636 4.273 1.00 0.00 C ATOM 804 C PRO A 59 9.547 -7.870 5.456 1.00 0.00 C ATOM 805 O PRO A 59 8.345 -7.594 5.458 1.00 0.00 O ATOM 806 CB PRO A 59 9.321 -9.129 3.149 1.00 0.00 C ATOM 807 CG PRO A 59 8.949 -10.563 3.527 1.00 0.00 C ATOM 808 CD PRO A 59 10.226 -11.124 4.151 1.00 0.00 C ATOM 0 HA PRO A 59 10.947 -7.851 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.434 -8.500 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.819 -9.095 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.117 -10.587 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.645 -11.140 2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.004 -11.823 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.826 -11.663 3.418 1.00 0.00 H new ATOM 816 N GLU A 60 10.355 -7.544 6.472 1.00 0.00 N ATOM 817 CA GLU A 60 9.921 -7.166 7.847 1.00 0.00 C ATOM 818 C GLU A 60 11.212 -6.776 8.649 1.00 0.00 C ATOM 819 O GLU A 60 11.367 -5.608 9.016 1.00 0.00 O ATOM 820 CB GLU A 60 9.074 -8.284 8.532 1.00 0.00 C ATOM 821 CG GLU A 60 8.491 -7.908 9.917 1.00 0.00 C ATOM 822 CD GLU A 60 7.683 -9.034 10.556 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.409 -9.092 10.068 1.00 0.00 O ATOM 824 OE2 GLU A 60 8.138 -9.795 11.405 1.00 0.00 O ATOM 0 H GLU A 60 11.370 -7.532 6.368 1.00 0.00 H new ATOM 0 HA GLU A 60 9.245 -6.312 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.252 -8.553 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.696 -9.172 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.307 -7.631 10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.855 -7.029 9.810 1.00 0.00 H new ATOM 831 N ALA A 61 12.176 -7.710 8.847 1.00 0.00 N ATOM 832 CA ALA A 61 13.566 -7.371 9.264 1.00 0.00 C ATOM 833 C ALA A 61 14.334 -6.372 8.330 1.00 0.00 C ATOM 834 O ALA A 61 14.917 -5.410 8.837 1.00 0.00 O ATOM 835 CB ALA A 61 14.322 -8.701 9.449 1.00 0.00 C ATOM 0 H ALA A 61 12.017 -8.710 8.724 1.00 0.00 H new ATOM 0 HA ALA A 61 13.507 -6.811 10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.348 -8.497 9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.826 -9.298 10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.327 -9.251 8.508 1.00 0.00 H new ATOM 841 N LEU A 62 14.258 -6.527 6.988 1.00 0.00 N ATOM 842 CA LEU A 62 14.627 -5.441 6.027 1.00 0.00 C ATOM 843 C LEU A 62 13.860 -4.083 6.188 1.00 0.00 C ATOM 844 O LEU A 62 14.459 -3.042 5.937 1.00 0.00 O ATOM 845 CB LEU A 62 14.481 -5.925 4.558 1.00 0.00 C ATOM 846 CG LEU A 62 15.386 -7.085 4.068 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.901 -7.602 2.706 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.849 -6.621 3.943 1.00 0.00 C ATOM 0 H LEU A 62 13.946 -7.388 6.539 1.00 0.00 H new ATOM 0 HA LEU A 62 15.666 -5.227 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.444 -6.228 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.658 -5.069 3.908 1.00 0.00 H new ATOM 0 HG LEU A 62 15.329 -7.888 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.546 -8.416 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.877 -7.965 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.935 -6.793 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.466 -7.451 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.911 -5.801 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.208 -6.282 4.915 1.00 0.00 H new ATOM 860 N GLN A 63 12.576 -4.052 6.593 1.00 0.00 N ATOM 861 CA GLN A 63 11.836 -2.772 6.833 1.00 0.00 C ATOM 862 C GLN A 63 12.294 -1.907 8.058 1.00 0.00 C ATOM 863 O GLN A 63 12.185 -0.676 7.993 1.00 0.00 O ATOM 864 CB GLN A 63 10.303 -3.023 6.884 1.00 0.00 C ATOM 865 CG GLN A 63 9.668 -3.520 5.561 1.00 0.00 C ATOM 866 CD GLN A 63 8.137 -3.532 5.502 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.419 -3.083 6.388 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.584 -4.021 4.419 1.00 0.00 N ATOM 0 H GLN A 63 12.020 -4.890 6.764 1.00 0.00 H new ATOM 0 HA GLN A 63 12.100 -2.160 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.097 -3.756 7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.810 -2.097 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.036 -2.893 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.025 -4.532 5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.169 -4.398 3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.569 -4.024 4.322 1.00 0.00 H new ATOM 877 N GLU A 64 12.807 -2.513 9.145 1.00 0.00 N ATOM 878 CA GLU A 64 13.600 -1.779 10.176 1.00 0.00 C ATOM 879 C GLU A 64 15.102 -1.564 9.773 1.00 0.00 C ATOM 880 O GLU A 64 15.598 -0.441 9.899 1.00 0.00 O ATOM 881 CB GLU A 64 13.406 -2.485 11.546 1.00 0.00 C ATOM 882 CG GLU A 64 13.856 -1.638 12.766 1.00 0.00 C ATOM 883 CD GLU A 64 13.605 -2.321 14.113 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.481 -2.553 14.549 1.00 0.00 O ATOM 885 OE2 GLU A 64 14.764 -2.627 14.769 1.00 0.00 O ATOM 0 H GLU A 64 12.692 -3.507 9.341 1.00 0.00 H new ATOM 0 HA GLU A 64 13.221 -0.760 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.353 -2.742 11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.964 -3.421 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.919 -1.418 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.330 -0.683 12.749 1.00 0.00 H new ATOM 892 N PHE A 65 15.816 -2.594 9.270 1.00 0.00 N ATOM 893 CA PHE A 65 17.219 -2.458 8.771 1.00 0.00 C ATOM 894 C PHE A 65 17.443 -1.450 7.603 1.00 0.00 C ATOM 895 O PHE A 65 18.415 -0.702 7.654 1.00 0.00 O ATOM 896 CB PHE A 65 17.721 -3.880 8.423 1.00 0.00 C ATOM 897 CG PHE A 65 19.181 -4.029 7.957 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.237 -3.935 8.869 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.449 -4.406 6.637 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.532 -4.268 8.483 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.743 -4.752 6.259 1.00 0.00 C ATOM 902 CZ PHE A 65 21.776 -4.714 7.189 1.00 0.00 C ATOM 0 H PHE A 65 15.447 -3.542 9.195 1.00 0.00 H new ATOM 0 HA PHE A 65 17.806 -2.005 9.570 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.584 -4.509 9.303 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.077 -4.281 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.046 -3.602 9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.651 -4.429 5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.346 -4.180 9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.945 -5.051 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.769 -5.031 6.906 1.00 0.00 H new ATOM 912 N LEU A 66 16.575 -1.368 6.582 1.00 0.00 N ATOM 913 CA LEU A 66 16.637 -0.255 5.588 1.00 0.00 C ATOM 914 C LEU A 66 16.304 1.193 6.090 1.00 0.00 C ATOM 915 O LEU A 66 16.558 2.138 5.346 1.00 0.00 O ATOM 916 CB LEU A 66 15.816 -0.651 4.328 1.00 0.00 C ATOM 917 CG LEU A 66 16.320 -1.875 3.511 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.456 -2.073 2.254 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.804 -1.757 3.122 1.00 0.00 C ATOM 0 H LEU A 66 15.828 -2.042 6.414 1.00 0.00 H new ATOM 0 HA LEU A 66 17.696 -0.151 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.791 -0.852 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.783 0.211 3.661 1.00 0.00 H new ATOM 0 HG LEU A 66 16.227 -2.747 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.821 -2.933 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.420 -2.245 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.513 -1.182 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.102 -2.638 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.951 -0.865 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.412 -1.684 4.024 1.00 0.00 H new ATOM 931 N THR A 67 15.810 1.395 7.323 1.00 0.00 N ATOM 932 CA THR A 67 15.673 2.744 7.962 1.00 0.00 C ATOM 933 C THR A 67 16.737 3.032 9.067 1.00 0.00 C ATOM 934 O THR A 67 17.263 4.145 9.114 1.00 0.00 O ATOM 935 CB THR A 67 14.197 2.926 8.404 1.00 0.00 C ATOM 936 OG1 THR A 67 13.404 2.965 7.232 1.00 0.00 O ATOM 937 CG2 THR A 67 13.848 4.216 9.155 1.00 0.00 C ATOM 0 H THR A 67 15.489 0.632 7.919 1.00 0.00 H new ATOM 0 HA THR A 67 15.903 3.517 7.229 1.00 0.00 H new ATOM 0 HB THR A 67 14.017 2.098 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.798 3.593 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.787 4.216 9.405 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.436 4.274 10.071 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.072 5.076 8.524 1.00 0.00 H new ATOM 945 N ASN A 68 17.058 2.084 9.959 1.00 0.00 N ATOM 946 CA ASN A 68 18.193 2.205 10.909 1.00 0.00 C ATOM 947 C ASN A 68 19.081 0.910 10.778 1.00 0.00 C ATOM 948 O ASN A 68 18.936 0.000 11.604 1.00 0.00 O ATOM 949 CB ASN A 68 17.628 2.505 12.328 1.00 0.00 C ATOM 950 CG ASN A 68 17.378 3.954 12.774 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.586 4.295 13.932 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.924 4.857 11.941 1.00 0.00 N ATOM 0 H ASN A 68 16.543 1.208 10.049 1.00 0.00 H new ATOM 0 HA ASN A 68 18.856 3.041 10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.681 1.972 12.417 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.314 2.060 13.049 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.755 5.810 12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.740 4.608 10.969 1.00 0.00 H new ATOM 959 N PRO A 69 20.034 0.795 9.793 1.00 0.00 N ATOM 960 CA PRO A 69 20.933 -0.389 9.638 1.00 0.00 C ATOM 961 C PRO A 69 21.734 -0.853 10.886 1.00 0.00 C ATOM 962 O PRO A 69 21.757 -2.041 11.222 1.00 0.00 O ATOM 963 CB PRO A 69 21.852 0.029 8.460 1.00 0.00 C ATOM 964 CG PRO A 69 21.068 1.058 7.646 1.00 0.00 C ATOM 965 CD PRO A 69 20.115 1.708 8.641 1.00 0.00 C ATOM 0 HA PRO A 69 20.338 -1.286 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.786 0.454 8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.114 -0.833 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.733 1.796 7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.523 0.583 6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.481 2.688 8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.132 1.860 8.195 1.00 0.00 H new ATOM 973 N LYS A 70 22.330 0.121 11.585 1.00 0.00 N ATOM 974 CA LYS A 70 23.007 -0.116 12.893 1.00 0.00 C ATOM 975 C LYS A 70 22.109 -0.218 14.182 1.00 0.00 C ATOM 976 O LYS A 70 22.635 -0.532 15.250 1.00 0.00 O ATOM 977 CB LYS A 70 24.200 0.867 13.026 1.00 0.00 C ATOM 978 CG LYS A 70 23.830 2.359 13.158 1.00 0.00 C ATOM 979 CD LYS A 70 25.029 3.313 13.369 1.00 0.00 C ATOM 980 CE LYS A 70 26.035 3.440 12.205 1.00 0.00 C ATOM 981 NZ LYS A 70 25.454 4.105 11.021 1.00 0.00 N ATOM 0 H LYS A 70 22.364 1.092 11.274 1.00 0.00 H new ATOM 0 HA LYS A 70 23.368 -1.144 12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.788 0.579 13.898 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.844 0.748 12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.294 2.666 12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.141 2.475 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.637 4.306 13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.574 2.982 14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.906 4.003 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.386 2.447 11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 26.171 4.164 10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.639 3.556 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.143 5.063 11.279 1.00 0.00 H new ATOM 994 N ALA A 71 20.777 -0.019 14.111 1.00 0.00 N ATOM 995 CA ALA A 71 19.839 -0.492 15.170 1.00 0.00 C ATOM 996 C ALA A 71 19.512 -2.024 15.124 1.00 0.00 C ATOM 997 O ALA A 71 19.446 -2.659 16.178 1.00 0.00 O ATOM 998 CB ALA A 71 18.566 0.366 15.083 1.00 0.00 C ATOM 0 H ALA A 71 20.320 0.464 13.337 1.00 0.00 H new ATOM 0 HA ALA A 71 20.333 -0.368 16.134 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.858 0.044 15.846 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.822 1.413 15.243 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.115 0.249 14.098 1.00 0.00 H new ATOM 1004 N VAL A 72 19.320 -2.619 13.927 1.00 0.00 N ATOM 1005 CA VAL A 72 19.188 -4.099 13.762 1.00 0.00 C ATOM 1006 C VAL A 72 20.584 -4.819 13.843 1.00 0.00 C ATOM 1007 O VAL A 72 20.732 -5.739 14.652 1.00 0.00 O ATOM 1008 CB VAL A 72 18.352 -4.413 12.469 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.258 -5.917 12.134 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.899 -3.886 12.502 1.00 0.00 C ATOM 0 H VAL A 72 19.251 -2.101 13.051 1.00 0.00 H new ATOM 0 HA VAL A 72 18.627 -4.519 14.597 1.00 0.00 H new ATOM 0 HB VAL A 72 18.923 -3.885 11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.666 -6.052 11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.259 -6.318 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.783 -6.445 12.961 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.396 -4.147 11.571 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.367 -4.337 13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.908 -2.802 12.618 1.00 0.00 H new ATOM 1020 N VAL A 73 21.587 -4.433 13.026 1.00 0.00 N ATOM 1021 CA VAL A 73 22.971 -4.999 13.116 1.00 0.00 C ATOM 1022 C VAL A 73 23.908 -3.880 13.678 1.00 0.00 C ATOM 1023 O VAL A 73 24.548 -3.152 12.911 1.00 0.00 O ATOM 1024 CB VAL A 73 23.462 -5.553 11.733 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.887 -6.151 11.794 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.561 -6.637 11.101 1.00 0.00 C ATOM 0 H VAL A 73 21.475 -3.732 12.293 1.00 0.00 H new ATOM 0 HA VAL A 73 22.985 -5.856 13.790 1.00 0.00 H new ATOM 0 HB VAL A 73 23.431 -4.659 11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.170 -6.517 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.591 -5.382 12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.905 -6.976 12.506 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.986 -6.954 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.496 -7.493 11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.564 -6.230 10.935 1.00 0.00 H new ATOM 1036 N LYS A 74 24.030 -3.758 15.012 1.00 0.00 N ATOM 1037 CA LYS A 74 24.938 -2.761 15.654 1.00 0.00 C ATOM 1038 C LYS A 74 26.452 -3.086 15.402 1.00 0.00 C ATOM 1039 O LYS A 74 26.984 -4.093 15.875 1.00 0.00 O ATOM 1040 CB LYS A 74 24.534 -2.575 17.147 1.00 0.00 C ATOM 1041 CG LYS A 74 24.941 -3.629 18.211 1.00 0.00 C ATOM 1042 CD LYS A 74 24.344 -5.039 18.025 1.00 0.00 C ATOM 1043 CE LYS A 74 24.707 -5.983 19.181 1.00 0.00 C ATOM 1044 NZ LYS A 74 24.162 -7.330 18.919 1.00 0.00 N ATOM 0 H LYS A 74 23.514 -4.334 15.677 1.00 0.00 H new ATOM 0 HA LYS A 74 24.812 -1.788 15.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.938 -1.617 17.473 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.448 -2.490 17.178 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.028 -3.713 18.214 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.647 -3.258 19.193 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.259 -4.964 17.947 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.703 -5.462 17.087 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.790 -6.035 19.294 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.307 -5.595 20.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.411 -7.964 19.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.127 -7.275 18.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.564 -7.701 18.034 1.00 0.00 H new ATOM 1057 N GLY A 75 27.111 -2.263 14.571 1.00 0.00 N ATOM 1058 CA GLY A 75 28.383 -2.652 13.897 1.00 0.00 C ATOM 1059 C GLY A 75 28.282 -3.343 12.509 1.00 0.00 C ATOM 1060 O GLY A 75 29.094 -4.219 12.193 1.00 0.00 O ATOM 0 H GLY A 75 26.793 -1.321 14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.990 -1.754 13.781 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.926 -3.320 14.566 1.00 0.00 H new ATOM 1064 N THR A 76 27.358 -2.907 11.638 1.00 0.00 N ATOM 1065 CA THR A 76 27.388 -3.218 10.189 1.00 0.00 C ATOM 1066 C THR A 76 28.432 -2.316 9.460 1.00 0.00 C ATOM 1067 O THR A 76 28.485 -1.100 9.668 1.00 0.00 O ATOM 1068 CB THR A 76 25.941 -3.101 9.611 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.913 -3.619 8.289 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.280 -1.714 9.542 1.00 0.00 C ATOM 0 H THR A 76 26.565 -2.327 11.913 1.00 0.00 H new ATOM 0 HA THR A 76 27.718 -4.243 10.022 1.00 0.00 H new ATOM 0 HB THR A 76 25.363 -3.662 10.346 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.005 -3.547 7.928 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.281 -1.808 9.117 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.210 -1.294 10.545 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.881 -1.056 8.914 1.00 0.00 H new ATOM 1078 N LYS A 77 29.201 -2.894 8.525 1.00 0.00 N ATOM 1079 CA LYS A 77 29.960 -2.090 7.510 1.00 0.00 C ATOM 1080 C LYS A 77 29.097 -1.294 6.454 1.00 0.00 C ATOM 1081 O LYS A 77 29.665 -0.651 5.569 1.00 0.00 O ATOM 1082 CB LYS A 77 30.979 -3.055 6.832 1.00 0.00 C ATOM 1083 CG LYS A 77 32.216 -3.420 7.689 1.00 0.00 C ATOM 1084 CD LYS A 77 32.901 -4.727 7.230 1.00 0.00 C ATOM 1085 CE LYS A 77 34.249 -5.049 7.903 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.151 -5.228 9.367 1.00 0.00 N ATOM 0 H LYS A 77 29.324 -3.903 8.437 1.00 0.00 H new ATOM 0 HA LYS A 77 30.457 -1.279 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.460 -3.975 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.323 -2.600 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.936 -2.603 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.913 -3.521 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.218 -5.557 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.058 -4.674 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.659 -5.957 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.953 -4.245 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.840 -4.608 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 33.191 -4.983 9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.353 -6.219 9.610 1.00 0.00 H new ATOM 1099 N MET A 78 27.748 -1.292 6.555 1.00 0.00 N ATOM 1100 CA MET A 78 26.857 -0.549 5.633 1.00 0.00 C ATOM 1101 C MET A 78 26.736 0.939 6.082 1.00 0.00 C ATOM 1102 O MET A 78 25.966 1.272 6.992 1.00 0.00 O ATOM 1103 CB MET A 78 25.508 -1.322 5.536 1.00 0.00 C ATOM 1104 CG MET A 78 24.458 -0.635 4.639 1.00 0.00 C ATOM 1105 SD MET A 78 23.392 -1.792 3.682 1.00 0.00 S ATOM 1106 CE MET A 78 21.819 -0.924 4.069 1.00 0.00 C ATOM 0 H MET A 78 27.246 -1.806 7.279 1.00 0.00 H new ATOM 0 HA MET A 78 27.265 -0.498 4.623 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.701 -2.323 5.151 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.095 -1.440 6.538 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.822 -0.007 5.263 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.972 0.026 3.941 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.985 -1.464 3.620 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.683 -0.881 5.150 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.854 0.089 3.667 1.00 0.00 H new ATOM 1116 N ALA A 79 27.477 1.837 5.405 1.00 0.00 N ATOM 1117 CA ALA A 79 27.413 3.297 5.676 1.00 0.00 C ATOM 1118 C ALA A 79 26.183 3.985 4.994 1.00 0.00 C ATOM 1119 O ALA A 79 26.304 4.728 4.015 1.00 0.00 O ATOM 1120 CB ALA A 79 28.781 3.866 5.250 1.00 0.00 C ATOM 0 H ALA A 79 28.130 1.582 4.664 1.00 0.00 H new ATOM 0 HA ALA A 79 27.242 3.502 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.798 4.942 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.570 3.391 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.943 3.668 4.190 1.00 0.00 H new ATOM 1126 N PHE A 80 24.985 3.706 5.535 1.00 0.00 N ATOM 1127 CA PHE A 80 23.696 4.144 4.946 1.00 0.00 C ATOM 1128 C PHE A 80 22.840 4.894 6.016 1.00 0.00 C ATOM 1129 O PHE A 80 22.610 4.401 7.126 1.00 0.00 O ATOM 1130 CB PHE A 80 23.005 2.896 4.328 1.00 0.00 C ATOM 1131 CG PHE A 80 21.695 3.178 3.575 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.690 3.991 2.435 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.489 2.645 4.041 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.496 4.278 1.781 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.298 2.927 3.382 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.302 3.750 2.261 1.00 0.00 C ATOM 0 H PHE A 80 24.877 3.169 6.396 1.00 0.00 H new ATOM 0 HA PHE A 80 23.841 4.868 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.703 2.416 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.800 2.182 5.126 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.618 4.398 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.483 2.012 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.496 4.908 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.370 2.507 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.373 3.980 1.760 1.00 0.00 H new ATOM 1146 N ALA A 81 22.336 6.083 5.646 1.00 0.00 N ATOM 1147 CA ALA A 81 21.509 6.932 6.547 1.00 0.00 C ATOM 1148 C ALA A 81 20.010 6.531 6.757 1.00 0.00 C ATOM 1149 O ALA A 81 19.393 7.035 7.700 1.00 0.00 O ATOM 1150 CB ALA A 81 21.630 8.364 5.988 1.00 0.00 C ATOM 0 H ALA A 81 22.484 6.489 4.722 1.00 0.00 H new ATOM 0 HA ALA A 81 21.901 6.808 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.044 9.046 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.676 8.672 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.256 8.388 4.964 1.00 0.00 H new ATOM 1156 N GLY A 82 19.433 5.652 5.916 1.00 0.00 N ATOM 1157 CA GLY A 82 18.042 5.164 6.100 1.00 0.00 C ATOM 1158 C GLY A 82 16.980 5.661 5.092 1.00 0.00 C ATOM 1159 O GLY A 82 16.958 6.823 4.680 1.00 0.00 O ATOM 0 H GLY A 82 19.904 5.262 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.059 4.075 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.715 5.445 7.101 1.00 0.00 H new ATOM 1163 N LEU A 83 16.025 4.774 4.781 1.00 0.00 N ATOM 1164 CA LEU A 83 14.803 5.113 4.005 1.00 0.00 C ATOM 1165 C LEU A 83 13.661 5.707 4.910 1.00 0.00 C ATOM 1166 O LEU A 83 13.368 5.111 5.955 1.00 0.00 O ATOM 1167 CB LEU A 83 14.301 3.848 3.251 1.00 0.00 C ATOM 1168 CG LEU A 83 15.179 3.348 2.075 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.581 2.085 1.451 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.306 4.393 0.960 1.00 0.00 C ATOM 0 H LEU A 83 16.070 3.793 5.058 1.00 0.00 H new ATOM 0 HA LEU A 83 15.068 5.890 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.204 3.037 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.302 4.054 2.867 1.00 0.00 H new ATOM 0 HG LEU A 83 16.163 3.147 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.213 1.752 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.522 1.300 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.581 2.303 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.930 3.996 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.317 4.628 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.762 5.299 1.360 1.00 0.00 H new ATOM 1182 N PRO A 84 12.974 6.839 4.568 1.00 0.00 N ATOM 1183 CA PRO A 84 12.041 7.521 5.509 1.00 0.00 C ATOM 1184 C PRO A 84 10.593 6.937 5.592 1.00 0.00 C ATOM 1185 O PRO A 84 10.135 6.619 6.694 1.00 0.00 O ATOM 1186 CB PRO A 84 12.131 8.982 5.020 1.00 0.00 C ATOM 1187 CG PRO A 84 12.397 8.892 3.514 1.00 0.00 C ATOM 1188 CD PRO A 84 13.250 7.631 3.350 1.00 0.00 C ATOM 0 HA PRO A 84 12.323 7.386 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.206 9.522 5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.932 9.518 5.529 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.467 8.818 2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.921 9.776 3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.978 7.082 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.309 7.876 3.267 1.00 0.00 H new ATOM 1196 N LYS A 85 9.873 6.781 4.464 1.00 0.00 N ATOM 1197 CA LYS A 85 8.481 6.253 4.457 1.00 0.00 C ATOM 1198 C LYS A 85 8.452 4.696 4.488 1.00 0.00 C ATOM 1199 O LYS A 85 9.337 4.014 3.956 1.00 0.00 O ATOM 1200 CB LYS A 85 7.718 6.770 3.209 1.00 0.00 C ATOM 1201 CG LYS A 85 7.570 8.307 3.081 1.00 0.00 C ATOM 1202 CD LYS A 85 6.627 8.754 1.944 1.00 0.00 C ATOM 1203 CE LYS A 85 5.137 8.681 2.324 1.00 0.00 C ATOM 1204 NZ LYS A 85 4.297 9.107 1.190 1.00 0.00 N ATOM 0 H LYS A 85 10.229 7.013 3.537 1.00 0.00 H new ATOM 0 HA LYS A 85 7.989 6.614 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.228 6.400 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.721 6.330 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.199 8.706 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.555 8.744 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.872 9.777 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.803 8.129 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.878 7.663 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.944 9.317 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.310 9.199 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.634 10.024 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.353 8.399 0.431 1.00 0.00 H new ATOM 1217 N ILE A 86 7.391 4.124 5.081 1.00 0.00 N ATOM 1218 CA ILE A 86 7.091 2.656 4.977 1.00 0.00 C ATOM 1219 C ILE A 86 6.932 2.147 3.498 1.00 0.00 C ATOM 1220 O ILE A 86 7.499 1.108 3.151 1.00 0.00 O ATOM 1221 CB ILE A 86 5.927 2.287 5.968 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.934 0.818 6.485 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.507 2.721 5.518 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.642 -0.315 5.483 1.00 0.00 C ATOM 0 H ILE A 86 6.716 4.643 5.642 1.00 0.00 H new ATOM 0 HA ILE A 86 7.961 2.087 5.304 1.00 0.00 H new ATOM 0 HB ILE A 86 6.176 2.912 6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.912 0.626 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.202 0.746 7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.779 2.419 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.478 3.804 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.265 2.245 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.684 -1.275 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.649 -0.176 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.386 -0.297 4.687 1.00 0.00 H new ATOM 1236 N GLU A 87 6.283 2.932 2.608 1.00 0.00 N ATOM 1237 CA GLU A 87 6.310 2.665 1.143 1.00 0.00 C ATOM 1238 C GLU A 87 7.694 2.764 0.427 1.00 0.00 C ATOM 1239 O GLU A 87 7.871 2.073 -0.570 1.00 0.00 O ATOM 1240 CB GLU A 87 5.211 3.468 0.404 1.00 0.00 C ATOM 1241 CG GLU A 87 5.371 5.011 0.309 1.00 0.00 C ATOM 1242 CD GLU A 87 4.440 5.789 -0.631 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.465 5.024 -1.214 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.578 6.993 -0.831 1.00 0.00 O ATOM 0 H GLU A 87 5.736 3.752 2.872 1.00 0.00 H new ATOM 0 HA GLU A 87 6.088 1.600 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.138 3.077 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.260 3.261 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.246 5.419 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.397 5.219 0.006 1.00 0.00 H new ATOM 1251 N ASP A 88 8.687 3.547 0.898 1.00 0.00 N ATOM 1252 CA ASP A 88 10.054 3.535 0.281 1.00 0.00 C ATOM 1253 C ASP A 88 10.769 2.146 0.377 1.00 0.00 C ATOM 1254 O ASP A 88 11.115 1.560 -0.653 1.00 0.00 O ATOM 1255 CB ASP A 88 10.920 4.702 0.830 1.00 0.00 C ATOM 1256 CG ASP A 88 10.567 6.081 0.274 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.415 6.319 -0.919 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.463 7.027 1.247 1.00 0.00 O ATOM 0 H ASP A 88 8.584 4.187 1.686 1.00 0.00 H new ATOM 0 HA ASP A 88 9.921 3.701 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.823 4.728 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.967 4.494 0.609 1.00 0.00 H new ATOM 1263 N ARG A 89 10.912 1.586 1.591 1.00 0.00 N ATOM 1264 CA ARG A 89 11.307 0.161 1.772 1.00 0.00 C ATOM 1265 C ARG A 89 10.299 -0.909 1.237 1.00 0.00 C ATOM 1266 O ARG A 89 10.757 -1.821 0.550 1.00 0.00 O ATOM 1267 CB ARG A 89 11.815 -0.108 3.210 1.00 0.00 C ATOM 1268 CG ARG A 89 10.907 0.320 4.391 1.00 0.00 C ATOM 1269 CD ARG A 89 11.443 1.539 5.173 1.00 0.00 C ATOM 1270 NE ARG A 89 10.953 1.449 6.582 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.526 2.450 7.343 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.294 3.650 6.897 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.357 2.221 8.612 1.00 0.00 N ATOM 0 H ARG A 89 10.762 2.090 2.465 1.00 0.00 H new ATOM 0 HA ARG A 89 12.151 0.018 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.004 -1.177 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.774 0.396 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.913 0.553 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.796 -0.520 5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.533 1.554 5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.102 2.466 4.711 1.00 0.00 H new ATOM 0 HE ARG A 89 10.946 0.520 7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.439 3.864 5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.967 4.376 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.551 1.295 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.030 2.967 9.226 1.00 0.00 H new ATOM 1287 N ALA A 90 8.972 -0.825 1.472 1.00 0.00 N ATOM 1288 CA ALA A 90 7.989 -1.760 0.848 1.00 0.00 C ATOM 1289 C ALA A 90 7.847 -1.752 -0.714 1.00 0.00 C ATOM 1290 O ALA A 90 7.641 -2.822 -1.287 1.00 0.00 O ATOM 1291 CB ALA A 90 6.650 -1.584 1.580 1.00 0.00 C ATOM 0 H ALA A 90 8.551 -0.126 2.084 1.00 0.00 H new ATOM 0 HA ALA A 90 8.397 -2.761 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.908 -2.255 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.779 -1.819 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.311 -0.553 1.476 1.00 0.00 H new ATOM 1297 N ASN A 91 8.028 -0.617 -1.416 1.00 0.00 N ATOM 1298 CA ASN A 91 8.218 -0.581 -2.902 1.00 0.00 C ATOM 1299 C ASN A 91 9.517 -1.312 -3.388 1.00 0.00 C ATOM 1300 O ASN A 91 9.441 -2.168 -4.275 1.00 0.00 O ATOM 1301 CB ASN A 91 8.185 0.888 -3.422 1.00 0.00 C ATOM 1302 CG ASN A 91 6.859 1.658 -3.327 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.788 1.138 -3.036 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.881 2.944 -3.577 1.00 0.00 N ATOM 0 H ASN A 91 8.049 0.306 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 91 7.383 -1.136 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.939 1.453 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.491 0.879 -4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.020 3.488 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.759 3.401 -3.822 1.00 0.00 H new ATOM 1311 N LEU A 92 10.694 -1.007 -2.799 1.00 0.00 N ATOM 1312 CA LEU A 92 11.950 -1.784 -3.022 1.00 0.00 C ATOM 1313 C LEU A 92 11.894 -3.300 -2.632 1.00 0.00 C ATOM 1314 O LEU A 92 12.305 -4.141 -3.431 1.00 0.00 O ATOM 1315 CB LEU A 92 13.100 -0.996 -2.334 1.00 0.00 C ATOM 1316 CG LEU A 92 14.537 -1.574 -2.446 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.995 -1.830 -3.892 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.536 -0.616 -1.782 1.00 0.00 C ATOM 0 H LEU A 92 10.808 -0.222 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 92 12.125 -1.860 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.111 0.012 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.857 -0.903 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 92 14.510 -2.539 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.008 -2.233 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.322 -2.545 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.980 -0.894 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.543 -1.026 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.498 0.353 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.278 -0.493 -0.730 1.00 0.00 H new ATOM 1330 N ILE A 93 11.363 -3.661 -1.452 1.00 0.00 N ATOM 1331 CA ILE A 93 11.110 -5.081 -1.055 1.00 0.00 C ATOM 1332 C ILE A 93 10.062 -5.796 -1.983 1.00 0.00 C ATOM 1333 O ILE A 93 10.326 -6.930 -2.375 1.00 0.00 O ATOM 1334 CB ILE A 93 10.835 -5.155 0.492 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.071 -4.729 1.350 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.371 -6.552 0.972 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.741 -4.291 2.787 1.00 0.00 C ATOM 0 H ILE A 93 11.092 -2.986 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 93 12.006 -5.677 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 93 10.023 -4.444 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.771 -5.563 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.581 -3.910 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.200 -6.529 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.446 -6.823 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.140 -7.290 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.660 -4.015 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.068 -3.434 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.261 -5.114 3.317 1.00 0.00 H new ATOM 1349 N ALA A 94 8.946 -5.163 -2.404 1.00 0.00 N ATOM 1350 CA ALA A 94 8.102 -5.668 -3.528 1.00 0.00 C ATOM 1351 C ALA A 94 8.823 -5.890 -4.903 1.00 0.00 C ATOM 1352 O ALA A 94 8.644 -6.945 -5.517 1.00 0.00 O ATOM 1353 CB ALA A 94 6.899 -4.716 -3.665 1.00 0.00 C ATOM 0 H ALA A 94 8.601 -4.299 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 94 7.799 -6.681 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.258 -5.054 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.331 -4.711 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.255 -3.708 -3.879 1.00 0.00 H new ATOM 1359 N TYR A 95 9.676 -4.946 -5.357 1.00 0.00 N ATOM 1360 CA TYR A 95 10.655 -5.189 -6.458 1.00 0.00 C ATOM 1361 C TYR A 95 11.625 -6.404 -6.235 1.00 0.00 C ATOM 1362 O TYR A 95 11.708 -7.259 -7.118 1.00 0.00 O ATOM 1363 CB TYR A 95 11.372 -3.838 -6.751 1.00 0.00 C ATOM 1364 CG TYR A 95 12.390 -3.857 -7.903 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.961 -4.013 -9.226 1.00 0.00 C ATOM 1366 CD2 TYR A 95 13.759 -3.783 -7.630 1.00 0.00 C ATOM 1367 CE1 TYR A 95 12.892 -4.136 -10.255 1.00 0.00 C ATOM 1368 CE2 TYR A 95 14.688 -3.884 -8.663 1.00 0.00 C ATOM 1369 CZ TYR A 95 14.254 -4.073 -9.972 1.00 0.00 C ATOM 1370 OH TYR A 95 15.161 -4.179 -10.991 1.00 0.00 O ATOM 0 H TYR A 95 9.712 -3.999 -4.979 1.00 0.00 H new ATOM 0 HA TYR A 95 10.113 -5.518 -7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.614 -3.087 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.884 -3.516 -5.844 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.905 -4.038 -9.450 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.098 -3.647 -6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 95 12.558 -4.280 -11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 95 15.744 -3.816 -8.448 1.00 0.00 H new ATOM 0 HH TYR A 95 16.069 -4.115 -10.629 1.00 0.00 H new ATOM 1380 N LEU A 96 12.303 -6.505 -5.078 1.00 0.00 N ATOM 1381 CA LEU A 96 13.111 -7.704 -4.693 1.00 0.00 C ATOM 1382 C LEU A 96 12.316 -9.049 -4.483 1.00 0.00 C ATOM 1383 O LEU A 96 12.880 -10.123 -4.679 1.00 0.00 O ATOM 1384 CB LEU A 96 13.932 -7.358 -3.416 1.00 0.00 C ATOM 1385 CG LEU A 96 14.967 -6.198 -3.469 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.386 -5.786 -2.045 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.216 -6.565 -4.287 1.00 0.00 C ATOM 0 H LEU A 96 12.314 -5.765 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 96 13.749 -7.914 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.222 -7.128 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.465 -8.260 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 96 14.478 -5.361 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.110 -4.973 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.509 -5.454 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.835 -6.639 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 96 16.907 -5.722 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.703 -7.431 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.924 -6.803 -5.310 1.00 0.00 H new ATOM 1399 N GLU A 97 11.031 -9.021 -4.084 1.00 0.00 N ATOM 1400 CA GLU A 97 10.134 -10.219 -4.085 1.00 0.00 C ATOM 1401 C GLU A 97 9.664 -10.696 -5.503 1.00 0.00 C ATOM 1402 O GLU A 97 9.603 -11.908 -5.731 1.00 0.00 O ATOM 1403 CB GLU A 97 8.921 -9.945 -3.152 1.00 0.00 C ATOM 1404 CG GLU A 97 9.249 -9.931 -1.637 1.00 0.00 C ATOM 1405 CD GLU A 97 8.078 -9.508 -0.754 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.634 -8.364 -0.704 1.00 0.00 O ATOM 1407 OE2 GLU A 97 7.583 -10.540 -0.017 1.00 0.00 O ATOM 0 H GLU A 97 10.574 -8.173 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 97 10.729 -11.052 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.484 -8.984 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.161 -10.704 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.576 -10.926 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.086 -9.254 -1.463 1.00 0.00 H new ATOM 1414 N GLY A 98 9.336 -9.786 -6.443 1.00 0.00 N ATOM 1415 CA GLY A 98 9.115 -10.147 -7.872 1.00 0.00 C ATOM 1416 C GLY A 98 10.387 -10.472 -8.692 1.00 0.00 C ATOM 1417 O GLY A 98 10.536 -11.591 -9.186 1.00 0.00 O ATOM 0 H GLY A 98 9.217 -8.793 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.451 -11.011 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.593 -9.323 -8.358 1.00 0.00 H new ATOM 1421 N GLN A 99 11.296 -9.495 -8.834 1.00 0.00 N ATOM 1422 CA GLN A 99 12.627 -9.701 -9.469 1.00 0.00 C ATOM 1423 C GLN A 99 13.651 -10.102 -8.358 1.00 0.00 C ATOM 1424 O GLN A 99 14.178 -9.240 -7.646 1.00 0.00 O ATOM 1425 CB GLN A 99 13.047 -8.397 -10.213 1.00 0.00 C ATOM 1426 CG GLN A 99 12.340 -8.073 -11.561 1.00 0.00 C ATOM 1427 CD GLN A 99 10.837 -7.759 -11.546 1.00 0.00 C ATOM 1428 OE1 GLN A 99 10.022 -8.449 -12.147 1.00 0.00 O ATOM 1429 NE2 GLN A 99 10.413 -6.709 -10.886 1.00 0.00 N ATOM 0 H GLN A 99 11.139 -8.539 -8.516 1.00 0.00 H new ATOM 0 HA GLN A 99 12.593 -10.503 -10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.882 -7.558 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.119 -8.449 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.852 -7.220 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.494 -8.921 -12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.077 -6.123 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.419 -6.478 -10.879 1.00 0.00 H new ATOM 1438 N GLN A 100 13.882 -11.416 -8.187 1.00 0.00 N ATOM 1439 CA GLN A 100 14.548 -11.959 -6.971 1.00 0.00 C ATOM 1440 C GLN A 100 16.094 -11.933 -7.041 1.00 0.00 C ATOM 1441 O GLN A 100 16.723 -12.708 -7.799 1.00 0.00 O ATOM 1442 CB GLN A 100 13.961 -13.358 -6.632 1.00 0.00 C ATOM 1443 CG GLN A 100 12.487 -13.332 -6.140 1.00 0.00 C ATOM 1444 CD GLN A 100 11.860 -14.672 -5.737 1.00 0.00 C ATOM 1445 OE1 GLN A 100 12.478 -15.730 -5.672 1.00 0.00 O ATOM 1446 NE2 GLN A 100 10.584 -14.657 -5.436 1.00 0.00 N ATOM 1447 OXT GLN A 100 16.695 -11.137 -6.282 1.00 0.00 O ATOM 0 H GLN A 100 13.621 -12.127 -8.870 1.00 0.00 H new ATOM 0 HA GLN A 100 14.324 -11.290 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.025 -13.990 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.580 -13.822 -5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.428 -12.660 -5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.875 -12.896 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.058 -13.784 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.117 -15.518 -5.152 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.911 -1.948 1.627 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.894 -4.815 3.245 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.863 -3.610 1.457 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.616 0.884 0.586 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.811 -0.640 1.566 1.00 0.00 C HETATM 1462 NA HEC A 101 23.062 -3.627 2.339 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.606 -4.680 2.919 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.807 -5.752 3.165 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.630 -5.380 2.692 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.864 -4.159 2.147 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.336 -6.220 2.743 1.00 0.00 C HETATM 1468 CAA HEC A 101 23.095 -7.166 3.725 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.194 -8.229 2.600 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.635 -9.639 3.005 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.253 -10.318 2.151 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.381 -10.084 4.147 1.00 0.00 O HETATM 1473 NB HEC A 101 22.172 -1.529 1.087 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.975 -2.274 0.879 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.955 -1.594 0.219 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.385 -0.288 0.099 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.687 -0.264 0.640 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.673 -2.221 -0.358 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.605 0.847 -0.607 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.313 1.221 0.139 1.00 0.00 C HETATM 1481 NC HEC A 101 24.523 -0.203 1.385 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.922 0.825 0.878 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.734 1.863 0.570 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.968 1.405 0.786 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.767 0.151 1.267 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.420 3.252 -0.008 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.288 2.116 0.368 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.534 3.490 1.018 1.00 0.00 C HETATM 1489 ND HEC A 101 25.511 -2.688 2.103 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.747 -2.022 2.072 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.798 -2.705 2.705 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.255 -3.868 3.210 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.901 -3.828 2.856 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.251 -2.248 2.859 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.967 -4.945 4.059 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.627 -4.835 5.564 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.324 -5.792 6.537 1.00 0.00 C HETATM 1498 O1D HEC A 101 29.306 -6.466 6.162 1.00 0.00 O HETATM 1499 O2D HEC A 101 27.904 -5.844 7.713 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.693 -2.102 1.873 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.281 -1.310 3.413 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.816 -3.007 3.401 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.943 3.142 -0.982 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.748 3.783 0.666 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.345 3.818 -0.119 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.938 -2.964 -1.110 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 18.110 -2.700 0.443 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 18.062 -1.443 -0.816 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.488 -7.156 2.205 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 20.083 -6.435 3.781 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.522 -5.663 2.279 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.850 -3.817 5.882 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.551 -4.975 5.673 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.722 4.168 0.754 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.575 3.378 2.101 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.479 3.898 0.660 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.661 0.350 0.197 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.559 1.557 1.146 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.802 2.022 -0.396 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.218 -8.305 2.121 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 23.891 -7.860 1.847 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.684 -5.934 3.697 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 29.045 -4.854 3.926 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 24.027 -7.149 4.290 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.305 -7.448 4.421 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.805 -0.217 1.420 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.209 1.850 0.287 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.939 -4.172 1.321 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.205 -5.688 3.819 1.00 0.00 H new HETATM 0 H2D HEC A 101 27.267 -5.115 7.866 1.00 0.00 H new HETATM 0 H2A HEC A 101 22.419 -10.012 4.320 1.00 0.00 H new