USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 221 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0354 K(o=-0.035,f=-0.69) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.587 -0.387 1.500 1.00 0.00 N ATOM 17 CA GLY A 2 -7.149 -0.582 1.734 1.00 0.00 C ATOM 18 C GLY A 2 -6.844 -1.254 3.078 1.00 0.00 C ATOM 19 O GLY A 2 -7.617 -2.088 3.558 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.735 -1.189 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.646 0.384 1.695 1.00 0.00 H new ATOM 23 N ILE A 3 -5.703 -0.895 3.674 1.00 0.00 N ATOM 24 CA ILE A 3 -5.172 -1.451 4.936 1.00 0.00 C ATOM 25 C ILE A 3 -4.727 -0.324 5.895 1.00 0.00 C ATOM 26 O ILE A 3 -4.809 0.857 5.553 1.00 0.00 O ATOM 27 CB ILE A 3 -4.041 -2.477 4.646 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.768 -1.815 4.069 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.557 -3.613 3.739 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.651 -2.819 3.752 1.00 0.00 C ATOM 0 H ILE A 3 -5.093 -0.179 3.279 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.969 -1.992 5.446 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.746 -2.911 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.029 -1.274 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.394 -1.080 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.750 -4.321 3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.381 -4.127 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.904 -3.195 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.788 -2.288 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.363 -3.343 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.008 -3.540 3.016 1.00 0.00 H new ATOM 41 N ASN A 4 -4.246 -0.675 7.095 1.00 0.00 N ATOM 42 CA ASN A 4 -3.795 0.277 8.120 1.00 0.00 C ATOM 43 C ASN A 4 -2.375 -0.073 8.609 1.00 0.00 C ATOM 44 O ASN A 4 -2.192 -0.767 9.612 1.00 0.00 O ATOM 45 CB ASN A 4 -4.835 0.346 9.254 1.00 0.00 C ATOM 46 CG ASN A 4 -4.508 1.454 10.246 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.507 2.635 9.925 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.195 1.122 11.478 1.00 0.00 N ATOM 0 H ASN A 4 -4.158 -1.648 7.387 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.721 1.276 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.825 0.516 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.871 -0.611 9.775 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.955 1.845 12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.193 0.141 11.757 1.00 0.00 H new ATOM 54 N VAL A 5 -1.368 0.388 7.860 1.00 0.00 N ATOM 55 CA VAL A 5 0.070 0.117 8.075 1.00 0.00 C ATOM 56 C VAL A 5 0.860 1.405 7.810 1.00 0.00 C ATOM 57 O VAL A 5 0.476 2.178 6.930 1.00 0.00 O ATOM 58 CB VAL A 5 0.569 -1.010 7.134 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.958 -1.517 7.538 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.349 -2.240 7.106 1.00 0.00 C ATOM 0 H VAL A 5 -1.533 0.987 7.051 1.00 0.00 H new ATOM 0 HA VAL A 5 0.221 -0.212 9.103 1.00 0.00 H new ATOM 0 HB VAL A 5 0.585 -0.542 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.271 -2.306 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.672 -0.695 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.920 -1.912 8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.063 -2.986 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.422 -2.662 8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.341 -1.946 6.763 1.00 0.00 H new ATOM 70 N LYS A 6 1.952 1.665 8.541 1.00 0.00 N ATOM 71 CA LYS A 6 2.842 2.812 8.260 1.00 0.00 C ATOM 72 C LYS A 6 3.673 2.605 6.980 1.00 0.00 C ATOM 73 O LYS A 6 3.807 1.487 6.479 1.00 0.00 O ATOM 74 CB LYS A 6 3.757 3.106 9.475 1.00 0.00 C ATOM 75 CG LYS A 6 3.691 4.594 9.875 1.00 0.00 C ATOM 76 CD LYS A 6 2.494 4.895 10.799 1.00 0.00 C ATOM 77 CE LYS A 6 2.927 4.806 12.276 1.00 0.00 C ATOM 78 NZ LYS A 6 1.965 4.051 13.120 1.00 0.00 N ATOM 0 H LYS A 6 2.246 1.097 9.336 1.00 0.00 H new ATOM 0 HA LYS A 6 2.205 3.680 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.455 2.486 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.785 2.837 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.616 4.875 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.618 5.207 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.102 5.890 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.688 4.187 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.905 4.328 12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.040 5.813 12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.310 4.025 14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.037 4.519 13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.874 3.080 12.759 1.00 0.00 H new ATOM 88 N CYS A 7 4.268 3.684 6.477 1.00 0.00 N ATOM 89 CA CYS A 7 5.191 3.679 5.337 1.00 0.00 C ATOM 90 C CYS A 7 6.244 4.799 5.445 1.00 0.00 C ATOM 91 O CYS A 7 6.065 5.767 6.190 1.00 0.00 O ATOM 92 CB CYS A 7 4.379 3.782 4.031 1.00 0.00 C ATOM 93 SG CYS A 7 3.130 5.100 3.970 1.00 0.00 S ATOM 0 H CYS A 7 4.119 4.617 6.861 1.00 0.00 H new ATOM 0 HA CYS A 7 5.747 2.742 5.337 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.075 3.930 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.880 2.828 3.861 1.00 0.00 H new ATOM 97 N LYS A 8 7.344 4.659 4.689 1.00 0.00 N ATOM 98 CA LYS A 8 8.532 5.540 4.742 1.00 0.00 C ATOM 99 C LYS A 8 8.857 6.222 3.400 1.00 0.00 C ATOM 100 O LYS A 8 9.550 7.238 3.389 1.00 0.00 O ATOM 101 CB LYS A 8 9.714 4.693 5.260 1.00 0.00 C ATOM 102 CG LYS A 8 10.878 5.485 5.892 1.00 0.00 C ATOM 103 CD LYS A 8 11.253 4.882 7.259 1.00 0.00 C ATOM 104 CE LYS A 8 12.604 5.413 7.767 1.00 0.00 C ATOM 105 NZ LYS A 8 13.340 4.367 8.527 1.00 0.00 N ATOM 0 H LYS A 8 7.439 3.910 4.003 1.00 0.00 H new ATOM 0 HA LYS A 8 8.326 6.370 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.335 3.988 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.107 4.105 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.743 5.466 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.593 6.530 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.474 5.116 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.297 3.796 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.208 5.746 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.440 6.282 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.248 4.752 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.772 4.068 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.516 3.549 7.910 1.00 0.00 H new ATOM 115 N HIS A 9 8.333 5.691 2.288 1.00 0.00 N ATOM 116 CA HIS A 9 8.499 6.223 0.926 1.00 0.00 C ATOM 117 C HIS A 9 7.258 5.962 0.047 1.00 0.00 C ATOM 118 O HIS A 9 6.462 6.874 -0.166 1.00 0.00 O ATOM 119 CB HIS A 9 9.769 5.622 0.286 1.00 0.00 C ATOM 120 CG HIS A 9 11.022 6.412 0.564 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.465 7.492 -0.164 1.00 0.00 N ATOM 122 CD2 HIS A 9 11.935 6.189 1.561 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.620 7.915 0.378 1.00 0.00 C ATOM 124 NE2 HIS A 9 12.952 7.148 1.435 1.00 0.00 N ATOM 0 H HIS A 9 7.760 4.847 2.311 1.00 0.00 H new ATOM 0 HA HIS A 9 8.610 7.305 0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.903 4.605 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.624 5.555 -0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.882 5.413 2.311 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.200 8.752 0.017 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.778 7.245 2.026 1.00 0.00 H new ATOM 132 N SER A 10 7.087 4.727 -0.452 1.00 0.00 N ATOM 133 CA SER A 10 6.011 4.302 -1.375 1.00 0.00 C ATOM 134 C SER A 10 6.125 2.810 -1.730 1.00 0.00 C ATOM 135 O SER A 10 5.215 2.040 -1.417 1.00 0.00 O ATOM 136 CB SER A 10 6.026 5.171 -2.647 1.00 0.00 C ATOM 137 OG SER A 10 5.295 4.571 -3.698 1.00 0.00 O ATOM 0 H SER A 10 7.719 3.962 -0.216 1.00 0.00 H new ATOM 0 HA SER A 10 5.057 4.442 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.604 6.151 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.056 5.332 -2.966 1.00 0.00 H new ATOM 0 HG SER A 10 5.324 5.150 -4.488 1.00 0.00 H new ATOM 142 N ARG A 11 7.270 2.361 -2.275 1.00 0.00 N ATOM 143 CA ARG A 11 7.526 0.938 -2.611 1.00 0.00 C ATOM 144 C ARG A 11 7.402 -0.015 -1.416 1.00 0.00 C ATOM 145 O ARG A 11 7.024 -1.171 -1.591 1.00 0.00 O ATOM 146 CB ARG A 11 8.907 0.777 -3.279 1.00 0.00 C ATOM 147 CG ARG A 11 8.876 1.159 -4.770 1.00 0.00 C ATOM 148 CD ARG A 11 10.177 0.759 -5.486 1.00 0.00 C ATOM 149 NE ARG A 11 11.357 1.491 -4.978 1.00 0.00 N ATOM 150 CZ ARG A 11 11.777 2.689 -5.349 1.00 0.00 C ATOM 151 NH1 ARG A 11 11.149 3.402 -6.242 1.00 0.00 N ATOM 152 NH2 ARG A 11 12.851 3.202 -4.821 1.00 0.00 N ATOM 0 H ARG A 11 8.053 2.975 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 11 6.741 0.653 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.635 1.401 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.241 -0.256 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.030 0.671 -5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.722 2.234 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.339 -0.312 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.071 0.946 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 11 11.909 1.019 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.302 3.040 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.504 4.322 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.373 2.680 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.170 4.126 -5.111 1.00 0.00 H new ATOM 163 N GLN A 12 7.647 0.472 -0.197 1.00 0.00 N ATOM 164 CA GLN A 12 7.488 -0.317 1.035 1.00 0.00 C ATOM 165 C GLN A 12 6.020 -0.671 1.345 1.00 0.00 C ATOM 166 O GLN A 12 5.769 -1.608 2.099 1.00 0.00 O ATOM 167 CB GLN A 12 8.124 0.389 2.249 1.00 0.00 C ATOM 168 CG GLN A 12 9.448 1.124 1.945 1.00 0.00 C ATOM 169 CD GLN A 12 10.324 1.393 3.175 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.520 1.625 3.063 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.800 1.394 4.386 1.00 0.00 N ATOM 0 H GLN A 12 7.963 1.428 -0.032 1.00 0.00 H new ATOM 0 HA GLN A 12 8.016 -1.252 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.409 1.107 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.305 -0.351 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.020 0.534 1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.219 2.074 1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.806 1.204 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.389 1.585 5.196 1.00 0.00 H new ATOM 178 N CYS A 13 5.052 0.050 0.762 1.00 0.00 N ATOM 179 CA CYS A 13 3.617 -0.242 0.859 1.00 0.00 C ATOM 180 C CYS A 13 3.147 -1.285 -0.180 1.00 0.00 C ATOM 181 O CYS A 13 2.198 -2.025 0.082 1.00 0.00 O ATOM 182 CB CYS A 13 2.850 1.084 0.732 1.00 0.00 C ATOM 183 SG CYS A 13 1.047 0.956 0.666 1.00 0.00 S ATOM 0 H CYS A 13 5.252 0.874 0.195 1.00 0.00 H new ATOM 0 HA CYS A 13 3.411 -0.698 1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.118 1.718 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.191 1.593 -0.169 1.00 0.00 H new ATOM 187 N LEU A 14 3.831 -1.434 -1.324 1.00 0.00 N ATOM 188 CA LEU A 14 3.517 -2.500 -2.289 1.00 0.00 C ATOM 189 C LEU A 14 3.663 -3.909 -1.686 1.00 0.00 C ATOM 190 O LEU A 14 2.801 -4.746 -1.948 1.00 0.00 O ATOM 191 CB LEU A 14 4.355 -2.359 -3.579 1.00 0.00 C ATOM 192 CG LEU A 14 3.737 -1.434 -4.643 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.729 -1.250 -5.793 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.450 -2.014 -5.244 1.00 0.00 C ATOM 0 H LEU A 14 4.604 -0.831 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 14 2.466 -2.377 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.343 -1.980 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.498 -3.348 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 14 3.505 -0.492 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.294 -0.595 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.648 -0.804 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.953 -2.219 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.053 -1.324 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.668 -2.972 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.713 -2.159 -4.454 1.00 0.00 H new ATOM 205 N LYS A 15 4.680 -4.161 -0.842 1.00 0.00 N ATOM 206 CA LYS A 15 4.842 -5.433 -0.102 1.00 0.00 C ATOM 207 C LYS A 15 3.555 -5.847 0.649 1.00 0.00 C ATOM 208 O LYS A 15 2.972 -6.873 0.283 1.00 0.00 O ATOM 209 CB LYS A 15 6.056 -5.381 0.860 1.00 0.00 C ATOM 210 CG LYS A 15 7.307 -6.164 0.432 1.00 0.00 C ATOM 211 CD LYS A 15 8.196 -5.466 -0.610 1.00 0.00 C ATOM 212 CE LYS A 15 9.599 -6.097 -0.517 1.00 0.00 C ATOM 213 NZ LYS A 15 10.372 -5.960 -1.776 1.00 0.00 N ATOM 0 H LYS A 15 5.420 -3.485 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 15 5.037 -6.203 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.338 -4.337 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.736 -5.755 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.907 -6.369 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.992 -7.127 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.784 -5.592 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.244 -4.394 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.151 -5.627 0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.502 -7.154 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.307 -6.401 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.861 -6.431 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.490 -4.952 -2.003 1.00 0.00 H new ATOM 223 N PRO A 16 3.065 -5.078 1.649 1.00 0.00 N ATOM 224 CA PRO A 16 1.865 -5.440 2.399 1.00 0.00 C ATOM 225 C PRO A 16 0.581 -5.355 1.559 1.00 0.00 C ATOM 226 O PRO A 16 -0.294 -6.197 1.750 1.00 0.00 O ATOM 227 CB PRO A 16 1.839 -4.518 3.625 1.00 0.00 C ATOM 228 CG PRO A 16 2.626 -3.294 3.176 1.00 0.00 C ATOM 229 CD PRO A 16 3.675 -3.899 2.249 1.00 0.00 C ATOM 0 HA PRO A 16 1.901 -6.487 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.819 -4.256 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.298 -4.993 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.994 -2.573 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.081 -2.772 4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.974 -3.184 1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.574 -4.167 2.803 1.00 0.00 H new ATOM 234 N CYS A 17 0.460 -4.428 0.595 1.00 0.00 N ATOM 235 CA CYS A 17 -0.713 -4.384 -0.291 1.00 0.00 C ATOM 236 C CYS A 17 -0.870 -5.649 -1.148 1.00 0.00 C ATOM 237 O CYS A 17 -1.957 -6.233 -1.192 1.00 0.00 O ATOM 238 CB CYS A 17 -0.648 -3.158 -1.211 1.00 0.00 C ATOM 239 SG CYS A 17 -1.025 -1.574 -0.425 1.00 0.00 S ATOM 0 H CYS A 17 1.155 -3.704 0.411 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.582 -4.320 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.352 -3.101 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.343 -3.308 -2.037 1.00 0.00 H new ATOM 243 N LYS A 18 0.204 -6.093 -1.816 1.00 0.00 N ATOM 244 CA LYS A 18 0.164 -7.283 -2.679 1.00 0.00 C ATOM 245 C LYS A 18 -0.069 -8.556 -1.860 1.00 0.00 C ATOM 246 O LYS A 18 -0.894 -9.391 -2.228 1.00 0.00 O ATOM 247 CB LYS A 18 1.456 -7.379 -3.512 1.00 0.00 C ATOM 248 CG LYS A 18 1.186 -7.984 -4.899 1.00 0.00 C ATOM 249 CD LYS A 18 2.499 -8.408 -5.577 1.00 0.00 C ATOM 250 CE LYS A 18 2.316 -8.560 -7.096 1.00 0.00 C ATOM 251 NZ LYS A 18 2.964 -7.449 -7.842 1.00 0.00 N ATOM 0 H LYS A 18 1.118 -5.642 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.678 -7.184 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.892 -6.387 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.187 -7.990 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.527 -8.847 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.668 -7.256 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.272 -7.667 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.842 -9.352 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.739 -9.511 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.253 -8.586 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.820 -7.586 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.543 -6.544 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.983 -7.440 -7.635 1.00 0.00 H new ATOM 261 N ASP A 19 0.599 -8.674 -0.710 1.00 0.00 N ATOM 262 CA ASP A 19 0.451 -9.808 0.213 1.00 0.00 C ATOM 263 C ASP A 19 -0.941 -9.875 0.882 1.00 0.00 C ATOM 264 O ASP A 19 -1.451 -10.970 1.129 1.00 0.00 O ATOM 265 CB ASP A 19 1.574 -9.747 1.258 1.00 0.00 C ATOM 266 CG ASP A 19 1.627 -11.023 2.115 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.033 -12.089 1.588 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.295 -10.963 3.322 1.00 0.00 O ATOM 0 H ASP A 19 1.268 -7.976 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 19 0.533 -10.727 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.531 -9.607 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.423 -8.882 1.903 1.00 0.00 H new ATOM 272 N ALA A 20 -1.594 -8.728 1.115 1.00 0.00 N ATOM 273 CA ALA A 20 -2.986 -8.646 1.577 1.00 0.00 C ATOM 274 C ALA A 20 -4.027 -9.107 0.530 1.00 0.00 C ATOM 275 O ALA A 20 -5.176 -9.381 0.887 1.00 0.00 O ATOM 276 CB ALA A 20 -3.278 -7.204 2.019 1.00 0.00 C ATOM 0 H ALA A 20 -1.161 -7.814 0.985 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.086 -9.340 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.309 -7.131 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.604 -6.928 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.129 -6.528 1.177 1.00 0.00 H new ATOM 282 N GLY A 21 -3.645 -9.193 -0.751 1.00 0.00 N ATOM 283 CA GLY A 21 -4.507 -9.620 -1.862 1.00 0.00 C ATOM 284 C GLY A 21 -5.050 -8.475 -2.734 1.00 0.00 C ATOM 285 O GLY A 21 -5.780 -8.734 -3.695 1.00 0.00 O ATOM 0 H GLY A 21 -2.699 -8.960 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.945 -10.306 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.350 -10.179 -1.455 1.00 0.00 H new ATOM 289 N MET A 22 -4.714 -7.219 -2.420 1.00 0.00 N ATOM 290 CA MET A 22 -5.060 -6.036 -3.225 1.00 0.00 C ATOM 291 C MET A 22 -4.138 -5.888 -4.454 1.00 0.00 C ATOM 292 O MET A 22 -3.108 -6.562 -4.563 1.00 0.00 O ATOM 293 CB MET A 22 -5.022 -4.773 -2.341 1.00 0.00 C ATOM 294 CG MET A 22 -6.291 -4.612 -1.491 1.00 0.00 C ATOM 295 SD MET A 22 -6.483 -5.763 -0.102 1.00 0.00 S ATOM 296 CE MET A 22 -8.139 -5.271 0.450 1.00 0.00 C ATOM 0 H MET A 22 -4.182 -6.989 -1.581 1.00 0.00 H new ATOM 0 HA MET A 22 -6.072 -6.167 -3.607 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.153 -4.818 -1.685 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.898 -3.894 -2.974 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.312 -3.596 -1.098 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.156 -4.719 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.432 -5.877 1.308 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.130 -4.219 0.735 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.852 -5.421 -0.361 1.00 0.00 H new ATOM 304 N ARG A 23 -4.504 -4.995 -5.390 1.00 0.00 N ATOM 305 CA ARG A 23 -3.769 -4.773 -6.651 1.00 0.00 C ATOM 306 C ARG A 23 -2.824 -3.573 -6.563 1.00 0.00 C ATOM 307 O ARG A 23 -1.608 -3.742 -6.663 1.00 0.00 O ATOM 308 CB ARG A 23 -4.775 -4.667 -7.815 1.00 0.00 C ATOM 309 CG ARG A 23 -4.137 -4.133 -9.114 1.00 0.00 C ATOM 310 CD ARG A 23 -4.888 -4.591 -10.375 1.00 0.00 C ATOM 311 NE ARG A 23 -5.081 -3.494 -11.345 1.00 0.00 N ATOM 312 CZ ARG A 23 -4.180 -2.979 -12.163 1.00 0.00 C ATOM 313 NH1 ARG A 23 -2.942 -3.389 -12.187 1.00 0.00 N ATOM 314 NH2 ARG A 23 -4.512 -2.028 -12.990 1.00 0.00 N ATOM 0 H ARG A 23 -5.327 -4.400 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.121 -5.628 -6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.207 -5.649 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.594 -4.010 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.117 -3.044 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.102 -4.469 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.334 -5.400 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.859 -4.995 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.016 -3.088 -11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.639 -4.133 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.277 -2.965 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.470 -1.679 -13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.814 -1.633 -13.620 1.00 0.00 H new ATOM 325 N PHE A 24 -3.368 -2.372 -6.377 1.00 0.00 N ATOM 326 CA PHE A 24 -2.572 -1.156 -6.189 1.00 0.00 C ATOM 327 C PHE A 24 -1.950 -1.103 -4.786 1.00 0.00 C ATOM 328 O PHE A 24 -2.443 -1.733 -3.846 1.00 0.00 O ATOM 329 CB PHE A 24 -3.459 0.075 -6.431 1.00 0.00 C ATOM 330 CG PHE A 24 -3.552 0.500 -7.883 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.515 1.267 -8.452 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.675 0.157 -8.662 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.599 1.689 -9.791 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.758 0.581 -10.002 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.722 1.347 -10.567 1.00 0.00 C ATOM 0 H PHE A 24 -4.375 -2.212 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.753 -1.163 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.462 -0.136 -6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.072 0.908 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.653 1.531 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.472 -0.431 -8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.802 2.275 -10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.619 0.317 -10.598 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.788 1.672 -11.595 1.00 0.00 H new ATOM 344 N GLY A 25 -0.902 -0.289 -4.642 1.00 0.00 N ATOM 345 CA GLY A 25 -0.277 0.014 -3.356 1.00 0.00 C ATOM 346 C GLY A 25 0.588 1.271 -3.419 1.00 0.00 C ATOM 347 O GLY A 25 1.488 1.354 -4.256 1.00 0.00 O ATOM 0 H GLY A 25 -0.458 0.185 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.051 0.145 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.335 -0.832 -3.043 1.00 0.00 H new ATOM 351 N LYS A 26 0.324 2.246 -2.541 1.00 0.00 N ATOM 352 CA LYS A 26 1.140 3.463 -2.388 1.00 0.00 C ATOM 353 C LYS A 26 1.048 4.058 -0.981 1.00 0.00 C ATOM 354 O LYS A 26 0.041 3.909 -0.293 1.00 0.00 O ATOM 355 CB LYS A 26 0.725 4.529 -3.432 1.00 0.00 C ATOM 356 CG LYS A 26 1.983 5.104 -4.105 1.00 0.00 C ATOM 357 CD LYS A 26 1.767 6.494 -4.718 1.00 0.00 C ATOM 358 CE LYS A 26 3.113 6.972 -5.286 1.00 0.00 C ATOM 359 NZ LYS A 26 3.054 8.381 -5.748 1.00 0.00 N ATOM 0 H LYS A 26 -0.474 2.214 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 26 2.176 3.168 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.070 4.084 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.161 5.327 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.785 5.161 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.314 4.419 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.014 6.452 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.401 7.191 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.884 6.873 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.404 6.330 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.982 8.662 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.336 8.472 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.802 8.998 -4.950 1.00 0.00 H new ATOM 369 N CYS A 27 2.087 4.780 -0.569 1.00 0.00 N ATOM 370 CA CYS A 27 2.078 5.587 0.652 1.00 0.00 C ATOM 371 C CYS A 27 1.294 6.895 0.404 1.00 0.00 C ATOM 372 O CYS A 27 1.666 7.691 -0.463 1.00 0.00 O ATOM 373 CB CYS A 27 3.540 5.838 1.056 1.00 0.00 C ATOM 374 SG CYS A 27 3.843 6.525 2.706 1.00 0.00 S ATOM 0 H CYS A 27 2.970 4.823 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 27 1.575 5.074 1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.077 4.893 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.981 6.514 0.323 1.00 0.00 H new ATOM 378 N THR A 28 0.207 7.116 1.150 1.00 0.00 N ATOM 379 CA THR A 28 -0.638 8.327 1.099 1.00 0.00 C ATOM 380 C THR A 28 -1.074 8.728 2.509 1.00 0.00 C ATOM 381 O THR A 28 -1.246 7.868 3.370 1.00 0.00 O ATOM 382 CB THR A 28 -1.868 8.113 0.193 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.368 9.372 -0.204 1.00 0.00 O ATOM 384 CG2 THR A 28 -3.027 7.359 0.854 1.00 0.00 C ATOM 0 H THR A 28 -0.126 6.435 1.833 1.00 0.00 H new ATOM 0 HA THR A 28 -0.045 9.135 0.670 1.00 0.00 H new ATOM 0 HB THR A 28 -1.514 7.505 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.149 9.246 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.847 7.256 0.143 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.688 6.370 1.164 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.372 7.914 1.726 1.00 0.00 H new ATOM 392 N ASN A 29 -1.261 10.022 2.781 1.00 0.00 N ATOM 393 CA ASN A 29 -1.629 10.536 4.113 1.00 0.00 C ATOM 394 C ASN A 29 -0.734 10.003 5.274 1.00 0.00 C ATOM 395 O ASN A 29 -1.190 9.844 6.410 1.00 0.00 O ATOM 396 CB ASN A 29 -3.141 10.270 4.304 1.00 0.00 C ATOM 397 CG ASN A 29 -3.778 11.077 5.428 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.374 12.185 5.758 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.824 10.558 6.033 1.00 0.00 N ATOM 0 H ASN A 29 -1.161 10.755 2.078 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.438 11.608 4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.659 10.494 3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.290 9.209 4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.295 11.078 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.164 9.636 5.762 1.00 0.00 H new ATOM 405 N GLY A 30 0.533 9.666 4.984 1.00 0.00 N ATOM 406 CA GLY A 30 1.486 9.056 5.928 1.00 0.00 C ATOM 407 C GLY A 30 1.232 7.573 6.267 1.00 0.00 C ATOM 408 O GLY A 30 1.736 7.084 7.282 1.00 0.00 O ATOM 0 H GLY A 30 0.935 9.815 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.490 9.149 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.470 9.630 6.855 1.00 0.00 H new ATOM 412 N LYS A 31 0.450 6.858 5.446 1.00 0.00 N ATOM 413 CA LYS A 31 -0.002 5.469 5.654 1.00 0.00 C ATOM 414 C LYS A 31 -0.088 4.689 4.342 1.00 0.00 C ATOM 415 O LYS A 31 -0.191 5.250 3.254 1.00 0.00 O ATOM 416 CB LYS A 31 -1.379 5.495 6.355 1.00 0.00 C ATOM 417 CG LYS A 31 -1.247 5.101 7.840 1.00 0.00 C ATOM 418 CD LYS A 31 -2.304 5.795 8.718 1.00 0.00 C ATOM 419 CE LYS A 31 -1.784 5.977 10.151 1.00 0.00 C ATOM 420 NZ LYS A 31 -1.865 4.726 10.945 1.00 0.00 N ATOM 0 H LYS A 31 0.096 7.250 4.573 1.00 0.00 H new ATOM 0 HA LYS A 31 0.731 4.957 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.813 6.492 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.061 4.810 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.347 4.020 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.251 5.363 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.558 6.766 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.219 5.203 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.749 6.317 10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.361 6.757 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.503 4.900 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.855 4.413 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.294 3.987 10.488 1.00 0.00 H new ATOM 430 N CYS A 32 -0.028 3.370 4.437 1.00 0.00 N ATOM 431 CA CYS A 32 -0.158 2.494 3.285 1.00 0.00 C ATOM 432 C CYS A 32 -1.620 2.431 2.808 1.00 0.00 C ATOM 433 O CYS A 32 -2.533 2.182 3.597 1.00 0.00 O ATOM 434 CB CYS A 32 0.391 1.116 3.668 1.00 0.00 C ATOM 435 SG CYS A 32 0.485 -0.086 2.321 1.00 0.00 S ATOM 0 H CYS A 32 0.113 2.876 5.318 1.00 0.00 H new ATOM 0 HA CYS A 32 0.418 2.881 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.389 1.245 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.235 0.702 4.458 1.00 0.00 H new ATOM 439 N HIS A 33 -1.829 2.640 1.511 1.00 0.00 N ATOM 440 CA HIS A 33 -3.122 2.607 0.831 1.00 0.00 C ATOM 441 C HIS A 33 -3.055 1.599 -0.315 1.00 0.00 C ATOM 442 O HIS A 33 -2.106 1.598 -1.100 1.00 0.00 O ATOM 443 CB HIS A 33 -3.462 4.020 0.320 1.00 0.00 C ATOM 444 CG HIS A 33 -4.219 4.085 -0.988 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.529 3.729 -1.215 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.695 4.487 -2.189 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.787 3.909 -2.523 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.699 4.377 -3.160 1.00 0.00 N ATOM 0 H HIS A 33 -1.061 2.848 0.872 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.910 2.295 1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.050 4.530 1.083 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.533 4.578 0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.684 4.829 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.736 3.706 -2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.621 4.606 -4.151 1.00 0.00 H new ATOM 456 N CYS A 34 -4.098 0.781 -0.421 1.00 0.00 N ATOM 457 CA CYS A 34 -4.287 -0.223 -1.463 1.00 0.00 C ATOM 458 C CYS A 34 -5.718 -0.124 -2.016 1.00 0.00 C ATOM 459 O CYS A 34 -6.609 0.417 -1.352 1.00 0.00 O ATOM 460 CB CYS A 34 -4.058 -1.633 -0.882 1.00 0.00 C ATOM 461 SG CYS A 34 -2.838 -1.840 0.440 1.00 0.00 S ATOM 0 H CYS A 34 -4.869 0.801 0.247 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.571 -0.045 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.015 -1.996 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.768 -2.287 -1.705 1.00 0.00 H new ATOM 465 N THR A 35 -5.964 -0.718 -3.181 1.00 0.00 N ATOM 466 CA THR A 35 -7.297 -0.770 -3.813 1.00 0.00 C ATOM 467 C THR A 35 -7.491 -2.088 -4.580 1.00 0.00 C ATOM 468 O THR A 35 -6.502 -2.731 -4.963 1.00 0.00 O ATOM 469 CB THR A 35 -7.559 0.446 -4.743 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.378 1.113 -5.136 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.425 1.506 -4.058 1.00 0.00 C ATOM 0 H THR A 35 -5.240 -1.185 -3.726 1.00 0.00 H new ATOM 0 HA THR A 35 -8.029 -0.723 -3.007 1.00 0.00 H new ATOM 0 HB THR A 35 -8.056 0.014 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.607 1.866 -5.720 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.586 2.341 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.386 1.070 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.921 1.863 -3.160 1.00 0.00 H new ATOM 479 N PRO A 36 -8.749 -2.531 -4.787 1.00 0.00 N ATOM 480 CA PRO A 36 -9.058 -3.780 -5.485 1.00 0.00 C ATOM 481 C PRO A 36 -8.758 -3.687 -6.992 1.00 0.00 C ATOM 482 O PRO A 36 -8.564 -2.597 -7.545 1.00 0.00 O ATOM 483 CB PRO A 36 -10.546 -4.036 -5.210 1.00 0.00 C ATOM 484 CG PRO A 36 -11.123 -2.633 -5.052 1.00 0.00 C ATOM 485 CD PRO A 36 -9.986 -1.871 -4.376 1.00 0.00 C ATOM 0 HA PRO A 36 -8.437 -4.602 -5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.019 -4.575 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.691 -4.634 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.387 -2.194 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.027 -2.634 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.987 -0.824 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.095 -1.891 -3.292 1.00 0.00 H new ATOM 490 N LYS A 37 -8.716 -4.848 -7.658 1.00 0.00 N ATOM 491 CA LYS A 37 -8.513 -4.963 -9.112 1.00 0.00 C ATOM 492 C LYS A 37 -9.658 -4.358 -9.950 1.00 0.00 C ATOM 493 O LYS A 37 -9.356 -3.806 -11.035 1.00 0.00 O ATOM 494 CB LYS A 37 -8.177 -6.420 -9.510 1.00 0.00 C ATOM 495 CG LYS A 37 -9.276 -7.456 -9.193 1.00 0.00 C ATOM 496 CD LYS A 37 -9.000 -8.342 -7.967 1.00 0.00 C ATOM 497 CE LYS A 37 -8.309 -9.656 -8.367 1.00 0.00 C ATOM 498 NZ LYS A 37 -8.613 -10.749 -7.406 1.00 0.00 N ATOM 0 H LYS A 37 -8.824 -5.751 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.647 -4.347 -9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.970 -6.449 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.261 -6.717 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.217 -6.929 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.411 -8.098 -10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.373 -7.800 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.938 -8.563 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.633 -9.949 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.231 -9.501 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.131 -11.620 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.282 -10.480 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.640 -10.913 -7.380 1.00 0.00 H new