USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.733 (180deg=-0.775) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.99 K(o=-2,f=-3.7) USER MOD Single : A 8 ASN : amide:sc= -2.04 K(o=-2,f=-4.7) USER MOD Single : A 9 GLN : amide:sc=-0.00524 K(o=-0.0052,f=-0.83) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 51:sc= 0.874 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.529 K(o=-0.53,f=-0.005) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -135:sc= -0.279 (180deg=-1.29!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 0.194 (180deg=0.00206) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.135) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00334) USER MOD Single : A 50 THR OG1 : rot -63:sc= 0.425 USER MOD Single : A 53 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.64) USER MOD Single : A 55 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 3.561 0.249 -0.991 1.00 1.00 C ATOM 4 O MET A 1 4.412 -0.254 -1.723 1.00 1.00 O ATOM 5 CB MET A 1 1.525 1.088 -2.171 1.00 1.00 C ATOM 6 CG MET A 1 1.342 2.407 -1.418 1.00 1.00 C ATOM 7 SD MET A 1 1.470 3.780 -2.552 1.00 1.00 S ATOM 8 CE MET A 1 1.080 5.129 -1.451 1.00 1.00 C ATOM 0 H1 MET A 1 0.314 -0.137 -0.202 1.00 1.00 H new ATOM 0 H2 MET A 1 1.664 -0.772 0.609 1.00 1.00 H new ATOM 0 H3 MET A 1 1.460 0.909 0.486 1.00 1.00 H new ATOM 0 HA MET A 1 1.962 -0.978 -1.713 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.207 1.235 -3.009 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.570 0.768 -2.589 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.370 2.422 -0.924 1.00 1.00 H new ATOM 0 HG3 MET A 1 2.097 2.498 -0.637 1.00 1.00 H new ATOM 0 HE1 MET A 1 1.115 6.069 -2.001 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.081 4.986 -1.040 1.00 1.00 H new ATOM 0 HE3 MET A 1 1.806 5.157 -0.638 1.00 1.00 H new ATOM 18 N GLN A 2 3.829 1.025 0.049 1.00 1.00 N ATOM 19 CA GLN A 2 5.200 1.346 0.409 1.00 1.00 C ATOM 20 C GLN A 2 5.498 0.877 1.835 1.00 1.00 C ATOM 21 O GLN A 2 6.395 0.063 2.049 1.00 1.00 O ATOM 22 CB GLN A 2 5.469 2.845 0.257 1.00 1.00 C ATOM 23 CG GLN A 2 6.516 3.106 -0.828 1.00 1.00 C ATOM 24 CD GLN A 2 6.751 4.607 -1.012 1.00 1.00 C ATOM 25 OE1 GLN A 2 6.242 5.234 -1.926 1.00 1.00 O ATOM 26 NE2 GLN A 2 7.550 5.146 -0.095 1.00 1.00 N ATOM 0 H GLN A 2 3.120 1.441 0.654 1.00 1.00 H new ATOM 0 HA GLN A 2 5.868 0.819 -0.273 1.00 1.00 H new ATOM 0 HB2 GLN A 2 4.542 3.361 0.005 1.00 1.00 H new ATOM 0 HB3 GLN A 2 5.814 3.255 1.206 1.00 1.00 H new ATOM 0 HG2 GLN A 2 7.453 2.618 -0.560 1.00 1.00 H new ATOM 0 HG3 GLN A 2 6.186 2.668 -1.770 1.00 1.00 H new ATOM 0 HE21 GLN A 2 7.943 4.564 0.644 1.00 1.00 H new ATOM 0 HE22 GLN A 2 7.769 6.141 -0.131 1.00 1.00 H new ATOM 35 N LYS A 3 4.729 1.411 2.772 1.00 1.00 N ATOM 36 CA LYS A 3 4.900 1.058 4.171 1.00 1.00 C ATOM 37 C LYS A 3 6.159 1.736 4.715 1.00 1.00 C ATOM 38 O LYS A 3 6.074 2.612 5.575 1.00 1.00 O ATOM 39 CB LYS A 3 4.898 -0.463 4.344 1.00 1.00 C ATOM 40 CG LYS A 3 4.708 -0.848 5.812 1.00 1.00 C ATOM 41 CD LYS A 3 6.055 -0.945 6.532 1.00 1.00 C ATOM 42 CE LYS A 3 5.897 -0.674 8.029 1.00 1.00 C ATOM 43 NZ LYS A 3 5.965 -1.938 8.796 1.00 1.00 N ATOM 0 H LYS A 3 3.986 2.086 2.590 1.00 1.00 H new ATOM 0 HA LYS A 3 4.060 1.425 4.761 1.00 1.00 H new ATOM 0 HB2 LYS A 3 4.100 -0.900 3.744 1.00 1.00 H new ATOM 0 HB3 LYS A 3 5.837 -0.876 3.975 1.00 1.00 H new ATOM 0 HG2 LYS A 3 4.079 -0.108 6.307 1.00 1.00 H new ATOM 0 HG3 LYS A 3 4.187 -1.803 5.877 1.00 1.00 H new ATOM 0 HD2 LYS A 3 6.481 -1.937 6.381 1.00 1.00 H new ATOM 0 HD3 LYS A 3 6.754 -0.229 6.101 1.00 1.00 H new ATOM 0 HE2 LYS A 3 6.680 0.005 8.366 1.00 1.00 H new ATOM 0 HE3 LYS A 3 4.944 -0.179 8.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 5.856 -1.735 9.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 5.202 -2.574 8.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 6.885 -2.395 8.631 1.00 1.00 H new ATOM 56 N GLY A 4 7.297 1.307 4.190 1.00 1.00 N ATOM 57 CA GLY A 4 8.572 1.862 4.612 1.00 1.00 C ATOM 58 C GLY A 4 8.516 3.391 4.656 1.00 1.00 C ATOM 59 O GLY A 4 7.590 3.998 4.119 1.00 1.00 O ATOM 0 H GLY A 4 7.363 0.581 3.476 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.833 1.475 5.597 1.00 1.00 H new ATOM 0 HA3 GLY A 4 9.357 1.543 3.926 1.00 1.00 H new ATOM 63 N ASN A 5 9.519 3.969 5.300 1.00 1.00 N ATOM 64 CA ASN A 5 9.596 5.415 5.421 1.00 1.00 C ATOM 65 C ASN A 5 11.036 5.820 5.743 1.00 1.00 C ATOM 66 O ASN A 5 11.604 6.686 5.080 1.00 1.00 O ATOM 67 CB ASN A 5 8.698 5.922 6.552 1.00 1.00 C ATOM 68 CG ASN A 5 8.868 5.069 7.811 1.00 1.00 C ATOM 69 OD1 ASN A 5 8.579 3.884 7.833 1.00 1.00 O ATOM 70 ND2 ASN A 5 9.352 5.736 8.855 1.00 1.00 N ATOM 0 H ASN A 5 10.285 3.462 5.744 1.00 1.00 H new ATOM 0 HA ASN A 5 9.268 5.850 4.477 1.00 1.00 H new ATOM 0 HB2 ASN A 5 8.941 6.961 6.776 1.00 1.00 H new ATOM 0 HB3 ASN A 5 7.656 5.900 6.232 1.00 1.00 H new ATOM 0 HD21 ASN A 5 9.502 5.256 9.742 1.00 1.00 H new ATOM 0 HD22 ASN A 5 9.573 6.728 8.768 1.00 1.00 H new ATOM 77 N PHE A 6 11.585 5.174 6.761 1.00 1.00 N ATOM 78 CA PHE A 6 12.948 5.455 7.179 1.00 1.00 C ATOM 79 C PHE A 6 13.794 4.181 7.183 1.00 1.00 C ATOM 80 O PHE A 6 13.323 3.120 7.589 1.00 1.00 O ATOM 81 CB PHE A 6 12.873 6.009 8.604 1.00 1.00 C ATOM 82 CG PHE A 6 13.113 7.517 8.699 1.00 1.00 C ATOM 83 CD1 PHE A 6 12.277 8.380 8.064 1.00 1.00 C ATOM 84 CD2 PHE A 6 14.164 7.994 9.419 1.00 1.00 C ATOM 85 CE1 PHE A 6 12.500 9.780 8.152 1.00 1.00 C ATOM 86 CE2 PHE A 6 14.387 9.393 9.508 1.00 1.00 C ATOM 87 CZ PHE A 6 13.550 10.257 8.872 1.00 1.00 C ATOM 0 H PHE A 6 11.110 4.456 7.309 1.00 1.00 H new ATOM 0 HA PHE A 6 13.410 6.163 6.491 1.00 1.00 H new ATOM 0 HB2 PHE A 6 11.892 5.781 9.020 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.609 5.495 9.222 1.00 1.00 H new ATOM 0 HD1 PHE A 6 11.443 8.001 7.492 1.00 1.00 H new ATOM 0 HD2 PHE A 6 14.829 7.308 9.923 1.00 1.00 H new ATOM 0 HE1 PHE A 6 11.836 10.466 7.647 1.00 1.00 H new ATOM 0 HE2 PHE A 6 15.221 9.772 10.080 1.00 1.00 H new ATOM 0 HZ PHE A 6 13.720 11.321 8.939 1.00 1.00 H new ATOM 97 N ARG A 7 15.030 4.328 6.727 1.00 1.00 N ATOM 98 CA ARG A 7 15.946 3.202 6.673 1.00 1.00 C ATOM 99 C ARG A 7 17.302 3.647 6.120 1.00 1.00 C ATOM 100 O ARG A 7 17.440 4.770 5.636 1.00 1.00 O ATOM 101 CB ARG A 7 15.389 2.080 5.796 1.00 1.00 C ATOM 102 CG ARG A 7 15.156 2.567 4.364 1.00 1.00 C ATOM 103 CD ARG A 7 14.521 1.470 3.508 1.00 1.00 C ATOM 104 NE ARG A 7 13.134 1.215 3.958 1.00 1.00 N ATOM 105 CZ ARG A 7 12.428 0.109 3.644 1.00 1.00 C ATOM 106 NH1 ARG A 7 12.973 -0.857 2.874 1.00 1.00 N ATOM 107 NH2 ARG A 7 11.196 -0.015 4.101 1.00 1.00 N ATOM 0 H ARG A 7 15.418 5.210 6.392 1.00 1.00 H new ATOM 0 HA ARG A 7 16.069 2.826 7.689 1.00 1.00 H new ATOM 0 HB2 ARG A 7 16.083 1.240 5.790 1.00 1.00 H new ATOM 0 HB3 ARG A 7 14.452 1.716 6.217 1.00 1.00 H new ATOM 0 HG2 ARG A 7 14.509 3.444 4.375 1.00 1.00 H new ATOM 0 HG3 ARG A 7 16.104 2.875 3.922 1.00 1.00 H new ATOM 0 HD2 ARG A 7 14.523 1.769 2.460 1.00 1.00 H new ATOM 0 HD3 ARG A 7 15.109 0.555 3.580 1.00 1.00 H new ATOM 0 HE ARG A 7 12.684 1.920 4.542 1.00 1.00 H new ATOM 0 HH11 ARG A 7 13.926 -0.754 2.525 1.00 1.00 H new ATOM 0 HH12 ARG A 7 12.432 -1.690 2.642 1.00 1.00 H new ATOM 0 HH21 ARG A 7 10.791 0.719 4.682 1.00 1.00 H new ATOM 0 HH22 ARG A 7 10.649 -0.845 3.873 1.00 1.00 H new ATOM 120 N ASN A 8 18.267 2.745 6.211 1.00 1.00 N ATOM 121 CA ASN A 8 19.607 3.030 5.725 1.00 1.00 C ATOM 122 C ASN A 8 19.513 3.772 4.391 1.00 1.00 C ATOM 123 O ASN A 8 20.134 4.819 4.213 1.00 1.00 O ATOM 124 CB ASN A 8 20.396 1.740 5.495 1.00 1.00 C ATOM 125 CG ASN A 8 19.558 0.713 4.731 1.00 1.00 C ATOM 126 OD1 ASN A 8 19.582 0.635 3.514 1.00 1.00 O ATOM 127 ND2 ASN A 8 18.816 -0.068 5.511 1.00 1.00 N ATOM 0 H ASN A 8 18.148 1.816 6.614 1.00 1.00 H new ATOM 0 HA ASN A 8 20.117 3.634 6.475 1.00 1.00 H new ATOM 0 HB2 ASN A 8 21.305 1.961 4.936 1.00 1.00 H new ATOM 0 HB3 ASN A 8 20.704 1.322 6.453 1.00 1.00 H new ATOM 0 HD21 ASN A 8 18.221 -0.785 5.096 1.00 1.00 H new ATOM 0 HD22 ASN A 8 18.842 0.050 6.524 1.00 1.00 H new ATOM 134 N GLN A 9 18.733 3.200 3.486 1.00 1.00 N ATOM 135 CA GLN A 9 18.550 3.794 2.172 1.00 1.00 C ATOM 136 C GLN A 9 19.830 3.656 1.344 1.00 1.00 C ATOM 137 O GLN A 9 20.425 4.655 0.944 1.00 1.00 O ATOM 138 CB GLN A 9 18.128 5.260 2.287 1.00 1.00 C ATOM 139 CG GLN A 9 16.959 5.569 1.349 1.00 1.00 C ATOM 140 CD GLN A 9 15.775 6.153 2.122 1.00 1.00 C ATOM 141 OE1 GLN A 9 15.354 5.639 3.145 1.00 1.00 O ATOM 142 NE2 GLN A 9 15.263 7.253 1.577 1.00 1.00 N ATOM 0 H GLN A 9 18.220 2.331 3.636 1.00 1.00 H new ATOM 0 HA GLN A 9 17.750 3.258 1.661 1.00 1.00 H new ATOM 0 HB2 GLN A 9 17.842 5.480 3.315 1.00 1.00 H new ATOM 0 HB3 GLN A 9 18.973 5.905 2.046 1.00 1.00 H new ATOM 0 HG2 GLN A 9 17.280 6.274 0.582 1.00 1.00 H new ATOM 0 HG3 GLN A 9 16.649 4.659 0.836 1.00 1.00 H new ATOM 0 HE21 GLN A 9 15.664 7.631 0.719 1.00 1.00 H new ATOM 0 HE22 GLN A 9 14.470 7.719 2.018 1.00 1.00 H new ATOM 151 N ARG A 10 20.215 2.409 1.113 1.00 1.00 N ATOM 152 CA ARG A 10 21.413 2.128 0.341 1.00 1.00 C ATOM 153 C ARG A 10 21.134 1.031 -0.690 1.00 1.00 C ATOM 154 O ARG A 10 21.102 1.296 -1.890 1.00 1.00 O ATOM 155 CB ARG A 10 22.562 1.685 1.248 1.00 1.00 C ATOM 156 CG ARG A 10 23.638 2.769 1.340 1.00 1.00 C ATOM 157 CD ARG A 10 24.931 2.210 1.937 1.00 1.00 C ATOM 158 NE ARG A 10 25.626 1.366 0.939 1.00 1.00 N ATOM 159 CZ ARG A 10 26.478 1.843 0.008 1.00 1.00 C ATOM 160 NH1 ARG A 10 26.749 3.164 -0.062 1.00 1.00 N ATOM 161 NH2 ARG A 10 27.044 0.998 -0.834 1.00 1.00 N ATOM 0 H ARG A 10 19.719 1.583 1.447 1.00 1.00 H new ATOM 0 HA ARG A 10 21.702 3.047 -0.169 1.00 1.00 H new ATOM 0 HB2 ARG A 10 22.179 1.463 2.244 1.00 1.00 H new ATOM 0 HB3 ARG A 10 23.000 0.765 0.862 1.00 1.00 H new ATOM 0 HG2 ARG A 10 23.837 3.174 0.348 1.00 1.00 H new ATOM 0 HG3 ARG A 10 23.277 3.594 1.954 1.00 1.00 H new ATOM 0 HD2 ARG A 10 25.580 3.028 2.249 1.00 1.00 H new ATOM 0 HD3 ARG A 10 24.706 1.624 2.828 1.00 1.00 H new ATOM 0 HE ARG A 10 25.450 0.361 0.956 1.00 1.00 H new ATOM 0 HH11 ARG A 10 26.308 3.810 0.592 1.00 1.00 H new ATOM 0 HH12 ARG A 10 27.395 3.515 -0.769 1.00 1.00 H new ATOM 0 HH21 ARG A 10 26.835 0.001 -0.774 1.00 1.00 H new ATOM 0 HH22 ARG A 10 27.691 1.342 -1.544 1.00 1.00 H new ATOM 174 N LYS A 11 20.940 -0.177 -0.183 1.00 1.00 N ATOM 175 CA LYS A 11 20.665 -1.315 -1.044 1.00 1.00 C ATOM 176 C LYS A 11 19.206 -1.741 -0.869 1.00 1.00 C ATOM 177 O LYS A 11 18.669 -2.481 -1.691 1.00 1.00 O ATOM 178 CB LYS A 11 21.669 -2.439 -0.783 1.00 1.00 C ATOM 179 CG LYS A 11 23.006 -2.150 -1.469 1.00 1.00 C ATOM 180 CD LYS A 11 23.222 -3.081 -2.664 1.00 1.00 C ATOM 181 CE LYS A 11 23.722 -4.453 -2.207 1.00 1.00 C ATOM 182 NZ LYS A 11 23.587 -5.443 -3.299 1.00 1.00 N ATOM 0 H LYS A 11 20.968 -0.393 0.813 1.00 1.00 H new ATOM 0 HA LYS A 11 20.794 -1.040 -2.091 1.00 1.00 H new ATOM 0 HB2 LYS A 11 21.824 -2.551 0.290 1.00 1.00 H new ATOM 0 HB3 LYS A 11 21.266 -3.384 -1.148 1.00 1.00 H new ATOM 0 HG2 LYS A 11 23.031 -1.113 -1.803 1.00 1.00 H new ATOM 0 HG3 LYS A 11 23.820 -2.275 -0.755 1.00 1.00 H new ATOM 0 HD2 LYS A 11 22.288 -3.195 -3.214 1.00 1.00 H new ATOM 0 HD3 LYS A 11 23.944 -2.637 -3.350 1.00 1.00 H new ATOM 0 HE2 LYS A 11 24.765 -4.382 -1.899 1.00 1.00 H new ATOM 0 HE3 LYS A 11 23.154 -4.782 -1.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 23.931 -6.369 -2.973 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 22.587 -5.522 -3.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 24.148 -5.135 -4.118 1.00 1.00 H new ATOM 195 N THR A 12 18.606 -1.255 0.208 1.00 1.00 N ATOM 196 CA THR A 12 17.219 -1.576 0.501 1.00 1.00 C ATOM 197 C THR A 12 16.395 -1.603 -0.787 1.00 1.00 C ATOM 198 O THR A 12 15.634 -2.541 -1.021 1.00 1.00 O ATOM 199 CB THR A 12 16.707 -0.565 1.529 1.00 1.00 C ATOM 200 OG1 THR A 12 15.293 -0.736 1.510 1.00 1.00 O ATOM 201 CG2 THR A 12 16.913 0.883 1.079 1.00 1.00 C ATOM 0 H THR A 12 19.055 -0.642 0.888 1.00 1.00 H new ATOM 0 HA THR A 12 17.126 -2.573 0.930 1.00 1.00 H new ATOM 0 HB THR A 12 17.215 -0.726 2.480 1.00 1.00 H new ATOM 0 HG1 THR A 12 15.077 -1.686 1.615 1.00 1.00 H new ATOM 0 HG21 THR A 12 16.533 1.559 1.844 1.00 1.00 H new ATOM 0 HG22 THR A 12 17.976 1.069 0.926 1.00 1.00 H new ATOM 0 HG23 THR A 12 16.377 1.054 0.145 1.00 1.00 H new ATOM 209 N VAL A 13 16.573 -0.564 -1.589 1.00 1.00 N ATOM 210 CA VAL A 13 15.855 -0.457 -2.848 1.00 1.00 C ATOM 211 C VAL A 13 16.739 0.250 -3.876 1.00 1.00 C ATOM 212 O VAL A 13 17.698 0.930 -3.513 1.00 1.00 O ATOM 213 CB VAL A 13 14.514 0.247 -2.627 1.00 1.00 C ATOM 214 CG1 VAL A 13 13.503 -0.693 -1.967 1.00 1.00 C ATOM 215 CG2 VAL A 13 14.695 1.524 -1.803 1.00 1.00 C ATOM 0 H VAL A 13 17.205 0.212 -1.391 1.00 1.00 H new ATOM 0 HA VAL A 13 15.626 -1.447 -3.243 1.00 1.00 H new ATOM 0 HB VAL A 13 14.120 0.531 -3.603 1.00 1.00 H new ATOM 0 HG11 VAL A 13 12.559 -0.168 -1.821 1.00 1.00 H new ATOM 0 HG12 VAL A 13 13.341 -1.560 -2.607 1.00 1.00 H new ATOM 0 HG13 VAL A 13 13.888 -1.022 -1.002 1.00 1.00 H new ATOM 0 HG21 VAL A 13 13.727 2.005 -1.660 1.00 1.00 H new ATOM 0 HG22 VAL A 13 15.122 1.273 -0.832 1.00 1.00 H new ATOM 0 HG23 VAL A 13 15.365 2.205 -2.329 1.00 1.00 H new ATOM 225 N LYS A 14 16.386 0.065 -5.140 1.00 1.00 N ATOM 226 CA LYS A 14 17.136 0.677 -6.224 1.00 1.00 C ATOM 227 C LYS A 14 16.160 1.291 -7.230 1.00 1.00 C ATOM 228 O LYS A 14 15.085 0.744 -7.470 1.00 1.00 O ATOM 229 CB LYS A 14 18.103 -0.334 -6.843 1.00 1.00 C ATOM 230 CG LYS A 14 17.344 -1.452 -7.560 1.00 1.00 C ATOM 231 CD LYS A 14 18.293 -2.572 -7.989 1.00 1.00 C ATOM 232 CE LYS A 14 19.190 -2.119 -9.143 1.00 1.00 C ATOM 233 NZ LYS A 14 20.615 -2.350 -8.813 1.00 1.00 N ATOM 0 H LYS A 14 15.591 -0.500 -5.438 1.00 1.00 H new ATOM 0 HA LYS A 14 17.758 1.489 -5.847 1.00 1.00 H new ATOM 0 HB2 LYS A 14 18.762 0.173 -7.548 1.00 1.00 H new ATOM 0 HB3 LYS A 14 18.736 -0.761 -6.065 1.00 1.00 H new ATOM 0 HG2 LYS A 14 16.575 -1.855 -6.901 1.00 1.00 H new ATOM 0 HG3 LYS A 14 16.834 -1.047 -8.435 1.00 1.00 H new ATOM 0 HD2 LYS A 14 18.909 -2.876 -7.143 1.00 1.00 H new ATOM 0 HD3 LYS A 14 17.716 -3.446 -8.293 1.00 1.00 H new ATOM 0 HE2 LYS A 14 18.928 -2.663 -10.050 1.00 1.00 H new ATOM 0 HE3 LYS A 14 19.024 -1.061 -9.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 21.210 -2.037 -9.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 20.865 -1.812 -7.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 20.772 -3.364 -8.641 1.00 1.00 H new ATOM 246 N CYS A 15 16.571 2.418 -7.791 1.00 1.00 N ATOM 247 CA CYS A 15 15.747 3.112 -8.766 1.00 1.00 C ATOM 248 C CYS A 15 15.962 2.456 -10.131 1.00 1.00 C ATOM 249 O CYS A 15 17.076 2.450 -10.652 1.00 1.00 O ATOM 250 CB CYS A 15 16.051 4.611 -8.799 1.00 1.00 C ATOM 251 SG CYS A 15 14.997 5.436 -10.047 1.00 1.00 S ATOM 0 H CYS A 15 17.464 2.868 -7.589 1.00 1.00 H new ATOM 0 HA CYS A 15 14.697 3.027 -8.485 1.00 1.00 H new ATOM 0 HB2 CYS A 15 15.875 5.048 -7.816 1.00 1.00 H new ATOM 0 HB3 CYS A 15 17.103 4.772 -9.035 1.00 1.00 H new ATOM 256 N PHE A 16 14.878 1.920 -10.672 1.00 1.00 N ATOM 257 CA PHE A 16 14.934 1.263 -11.967 1.00 1.00 C ATOM 258 C PHE A 16 14.691 2.262 -13.100 1.00 1.00 C ATOM 259 O PHE A 16 14.558 1.872 -14.259 1.00 1.00 O ATOM 260 CB PHE A 16 13.823 0.211 -11.983 1.00 1.00 C ATOM 261 CG PHE A 16 14.256 -1.142 -12.551 1.00 1.00 C ATOM 262 CD1 PHE A 16 15.075 -1.952 -11.828 1.00 1.00 C ATOM 263 CD2 PHE A 16 13.822 -1.535 -13.778 1.00 1.00 C ATOM 264 CE1 PHE A 16 15.476 -3.208 -12.354 1.00 1.00 C ATOM 265 CE2 PHE A 16 14.223 -2.791 -14.305 1.00 1.00 C ATOM 266 CZ PHE A 16 15.042 -3.601 -13.582 1.00 1.00 C ATOM 0 H PHE A 16 13.955 1.927 -10.237 1.00 1.00 H new ATOM 0 HA PHE A 16 15.918 0.818 -12.116 1.00 1.00 H new ATOM 0 HB2 PHE A 16 13.459 0.067 -10.966 1.00 1.00 H new ATOM 0 HB3 PHE A 16 12.987 0.589 -12.571 1.00 1.00 H new ATOM 0 HD1 PHE A 16 15.420 -1.640 -10.854 1.00 1.00 H new ATOM 0 HD2 PHE A 16 13.172 -0.892 -14.352 1.00 1.00 H new ATOM 0 HE1 PHE A 16 16.126 -3.852 -11.779 1.00 1.00 H new ATOM 0 HE2 PHE A 16 13.878 -3.103 -15.280 1.00 1.00 H new ATOM 0 HZ PHE A 16 15.348 -4.556 -13.983 1.00 1.00 H new ATOM 276 N ASN A 17 14.640 3.532 -12.725 1.00 1.00 N ATOM 277 CA ASN A 17 14.416 4.590 -13.696 1.00 1.00 C ATOM 278 C ASN A 17 15.759 5.208 -14.090 1.00 1.00 C ATOM 279 O ASN A 17 15.999 5.482 -15.264 1.00 1.00 O ATOM 280 CB ASN A 17 13.539 5.698 -13.109 1.00 1.00 C ATOM 281 CG ASN A 17 13.065 6.659 -14.202 1.00 1.00 C ATOM 282 OD1 ASN A 17 12.008 6.498 -14.790 1.00 1.00 O ATOM 283 ND2 ASN A 17 13.904 7.663 -14.439 1.00 1.00 N ATOM 0 H ASN A 17 14.750 3.852 -11.763 1.00 1.00 H new ATOM 0 HA ASN A 17 13.916 4.154 -14.561 1.00 1.00 H new ATOM 0 HB2 ASN A 17 12.677 5.257 -12.608 1.00 1.00 H new ATOM 0 HB3 ASN A 17 14.100 6.249 -12.354 1.00 1.00 H new ATOM 0 HD21 ASN A 17 13.679 8.359 -15.150 1.00 1.00 H new ATOM 0 HD22 ASN A 17 14.773 7.738 -13.909 1.00 1.00 H new ATOM 290 N CYS A 18 16.598 5.410 -13.085 1.00 1.00 N ATOM 291 CA CYS A 18 17.911 5.991 -13.312 1.00 1.00 C ATOM 292 C CYS A 18 18.961 4.896 -13.117 1.00 1.00 C ATOM 293 O CYS A 18 19.986 4.885 -13.798 1.00 1.00 O ATOM 294 CB CYS A 18 18.163 7.193 -12.399 1.00 1.00 C ATOM 295 SG CYS A 18 17.871 6.725 -10.654 1.00 1.00 S ATOM 0 H CYS A 18 16.395 5.182 -12.112 1.00 1.00 H new ATOM 0 HA CYS A 18 17.971 6.373 -14.331 1.00 1.00 H new ATOM 0 HB2 CYS A 18 19.187 7.546 -12.523 1.00 1.00 H new ATOM 0 HB3 CYS A 18 17.506 8.016 -12.678 1.00 1.00 H new ATOM 300 N GLY A 19 18.671 4.001 -12.184 1.00 1.00 N ATOM 301 CA GLY A 19 19.577 2.905 -11.890 1.00 1.00 C ATOM 302 C GLY A 19 20.431 3.213 -10.659 1.00 1.00 C ATOM 303 O GLY A 19 21.420 2.530 -10.398 1.00 1.00 O ATOM 0 H GLY A 19 17.820 4.013 -11.622 1.00 1.00 H new ATOM 0 HA2 GLY A 19 19.006 1.992 -11.721 1.00 1.00 H new ATOM 0 HA3 GLY A 19 20.223 2.723 -12.749 1.00 1.00 H new ATOM 307 N LYS A 20 20.017 4.242 -9.934 1.00 1.00 N ATOM 308 CA LYS A 20 20.732 4.650 -8.736 1.00 1.00 C ATOM 309 C LYS A 20 20.126 3.944 -7.522 1.00 1.00 C ATOM 310 O LYS A 20 18.908 3.940 -7.345 1.00 1.00 O ATOM 311 CB LYS A 20 20.750 6.175 -8.616 1.00 1.00 C ATOM 312 CG LYS A 20 22.183 6.710 -8.641 1.00 1.00 C ATOM 313 CD LYS A 20 22.254 8.052 -9.373 1.00 1.00 C ATOM 314 CE LYS A 20 23.225 9.006 -8.676 1.00 1.00 C ATOM 315 NZ LYS A 20 22.538 10.262 -8.300 1.00 1.00 N ATOM 0 H LYS A 20 19.195 4.806 -10.153 1.00 1.00 H new ATOM 0 HA LYS A 20 21.777 4.346 -8.793 1.00 1.00 H new ATOM 0 HB2 LYS A 20 20.180 6.614 -9.434 1.00 1.00 H new ATOM 0 HB3 LYS A 20 20.262 6.476 -7.689 1.00 1.00 H new ATOM 0 HG2 LYS A 20 22.549 6.828 -7.621 1.00 1.00 H new ATOM 0 HG3 LYS A 20 22.836 5.989 -9.132 1.00 1.00 H new ATOM 0 HD2 LYS A 20 22.572 7.892 -10.403 1.00 1.00 H new ATOM 0 HD3 LYS A 20 21.262 8.502 -9.412 1.00 1.00 H new ATOM 0 HE2 LYS A 20 23.637 8.529 -7.786 1.00 1.00 H new ATOM 0 HE3 LYS A 20 24.064 9.227 -9.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 23.212 10.898 -7.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 22.166 10.724 -9.155 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 21.753 10.048 -7.653 1.00 1.00 H new ATOM 328 N GLU A 21 21.003 3.365 -6.715 1.00 1.00 N ATOM 329 CA GLU A 21 20.570 2.658 -5.522 1.00 1.00 C ATOM 330 C GLU A 21 20.269 3.650 -4.397 1.00 1.00 C ATOM 331 O GLU A 21 21.059 4.556 -4.137 1.00 1.00 O ATOM 332 CB GLU A 21 21.616 1.631 -5.083 1.00 1.00 C ATOM 333 CG GLU A 21 22.937 2.314 -4.723 1.00 1.00 C ATOM 334 CD GLU A 21 23.291 2.082 -3.253 1.00 1.00 C ATOM 335 OE1 GLU A 21 23.313 0.930 -2.795 1.00 1.00 O ATOM 336 OE2 GLU A 21 23.549 3.151 -2.579 1.00 1.00 O ATOM 0 H GLU A 21 22.012 3.371 -6.864 1.00 1.00 H new ATOM 0 HA GLU A 21 19.654 2.116 -5.757 1.00 1.00 H new ATOM 0 HB2 GLU A 21 21.245 1.073 -4.223 1.00 1.00 H new ATOM 0 HB3 GLU A 21 21.781 0.910 -5.884 1.00 1.00 H new ATOM 0 HG2 GLU A 21 23.735 1.929 -5.358 1.00 1.00 H new ATOM 0 HG3 GLU A 21 22.863 3.384 -4.918 1.00 1.00 H new ATOM 344 N GLY A 22 19.126 3.444 -3.760 1.00 1.00 N ATOM 345 CA GLY A 22 18.712 4.309 -2.668 1.00 1.00 C ATOM 346 C GLY A 22 17.213 4.607 -2.744 1.00 1.00 C ATOM 347 O GLY A 22 16.510 4.532 -1.737 1.00 1.00 O ATOM 0 H GLY A 22 18.474 2.691 -3.979 1.00 1.00 H new ATOM 0 HA2 GLY A 22 18.944 3.834 -1.715 1.00 1.00 H new ATOM 0 HA3 GLY A 22 19.274 5.242 -2.705 1.00 1.00 H new ATOM 351 N HIS A 23 16.768 4.939 -3.947 1.00 1.00 N ATOM 352 CA HIS A 23 15.365 5.249 -4.167 1.00 1.00 C ATOM 353 C HIS A 23 14.785 4.290 -5.209 1.00 1.00 C ATOM 354 O HIS A 23 15.508 3.470 -5.773 1.00 1.00 O ATOM 355 CB HIS A 23 15.187 6.719 -4.550 1.00 1.00 C ATOM 356 CG HIS A 23 15.640 7.048 -5.952 1.00 1.00 C ATOM 357 ND1 HIS A 23 16.974 7.166 -6.301 1.00 1.00 N ATOM 358 CD2 HIS A 23 14.923 7.281 -7.089 1.00 1.00 C ATOM 359 CE1 HIS A 23 17.045 7.458 -7.591 1.00 1.00 C ATOM 360 NE2 HIS A 23 15.773 7.530 -8.078 1.00 1.00 N ATOM 0 H HIS A 23 17.354 5.000 -4.780 1.00 1.00 H new ATOM 0 HA HIS A 23 14.808 5.105 -3.241 1.00 1.00 H new ATOM 0 HB2 HIS A 23 14.135 6.986 -4.447 1.00 1.00 H new ATOM 0 HB3 HIS A 23 15.743 7.337 -3.845 1.00 1.00 H new ATOM 0 HD1 HIS A 23 17.768 7.048 -5.672 1.00 1.00 H new ATOM 0 HD2 HIS A 23 13.846 7.266 -7.171 1.00 1.00 H new ATOM 0 HE1 HIS A 23 17.951 7.612 -8.158 1.00 1.00 H new ATOM 368 N ILE A 24 13.487 4.426 -5.433 1.00 1.00 N ATOM 369 CA ILE A 24 12.802 3.583 -6.398 1.00 1.00 C ATOM 370 C ILE A 24 12.377 4.430 -7.599 1.00 1.00 C ATOM 371 O ILE A 24 12.372 5.658 -7.527 1.00 1.00 O ATOM 372 CB ILE A 24 11.644 2.837 -5.731 1.00 1.00 C ATOM 373 CG1 ILE A 24 10.684 3.814 -5.048 1.00 1.00 C ATOM 374 CG2 ILE A 24 12.163 1.772 -4.763 1.00 1.00 C ATOM 375 CD1 ILE A 24 9.498 3.073 -4.427 1.00 1.00 C ATOM 0 H ILE A 24 12.891 5.107 -4.963 1.00 1.00 H new ATOM 0 HA ILE A 24 13.474 2.811 -6.774 1.00 1.00 H new ATOM 0 HB ILE A 24 11.079 2.319 -6.506 1.00 1.00 H new ATOM 0 HG12 ILE A 24 11.215 4.371 -4.275 1.00 1.00 H new ATOM 0 HG13 ILE A 24 10.323 4.542 -5.774 1.00 1.00 H new ATOM 0 HG21 ILE A 24 11.320 1.257 -4.303 1.00 1.00 H new ATOM 0 HG22 ILE A 24 12.775 1.052 -5.307 1.00 1.00 H new ATOM 0 HG23 ILE A 24 12.765 2.247 -3.988 1.00 1.00 H new ATOM 0 HD11 ILE A 24 8.831 3.790 -3.948 1.00 1.00 H new ATOM 0 HD12 ILE A 24 8.956 2.537 -5.206 1.00 1.00 H new ATOM 0 HD13 ILE A 24 9.861 2.363 -3.684 1.00 1.00 H new ATOM 387 N ALA A 25 12.030 3.740 -8.676 1.00 1.00 N ATOM 388 CA ALA A 25 11.604 4.414 -9.891 1.00 1.00 C ATOM 389 C ALA A 25 10.399 5.304 -9.580 1.00 1.00 C ATOM 390 O ALA A 25 10.318 6.434 -10.058 1.00 1.00 O ATOM 391 CB ALA A 25 11.299 3.375 -10.971 1.00 1.00 C ATOM 0 H ALA A 25 12.035 2.722 -8.732 1.00 1.00 H new ATOM 0 HA ALA A 25 12.398 5.056 -10.272 1.00 1.00 H new ATOM 0 HB1 ALA A 25 10.979 3.880 -11.882 1.00 1.00 H new ATOM 0 HB2 ALA A 25 12.195 2.789 -11.176 1.00 1.00 H new ATOM 0 HB3 ALA A 25 10.505 2.713 -10.625 1.00 1.00 H new ATOM 397 N LYS A 26 9.493 4.760 -8.781 1.00 1.00 N ATOM 398 CA LYS A 26 8.295 5.490 -8.401 1.00 1.00 C ATOM 399 C LYS A 26 8.693 6.733 -7.602 1.00 1.00 C ATOM 400 O LYS A 26 7.906 7.669 -7.471 1.00 1.00 O ATOM 401 CB LYS A 26 7.319 4.572 -7.663 1.00 1.00 C ATOM 402 CG LYS A 26 5.990 5.283 -7.399 1.00 1.00 C ATOM 403 CD LYS A 26 4.877 4.709 -8.276 1.00 1.00 C ATOM 404 CE LYS A 26 4.871 5.369 -9.657 1.00 1.00 C ATOM 405 NZ LYS A 26 4.742 6.837 -9.528 1.00 1.00 N ATOM 0 H LYS A 26 9.564 3.822 -8.386 1.00 1.00 H new ATOM 0 HA LYS A 26 7.763 5.836 -9.287 1.00 1.00 H new ATOM 0 HB2 LYS A 26 7.143 3.673 -8.253 1.00 1.00 H new ATOM 0 HB3 LYS A 26 7.759 4.252 -6.718 1.00 1.00 H new ATOM 0 HG2 LYS A 26 5.720 5.178 -6.348 1.00 1.00 H new ATOM 0 HG3 LYS A 26 6.099 6.350 -7.595 1.00 1.00 H new ATOM 0 HD2 LYS A 26 5.013 3.633 -8.384 1.00 1.00 H new ATOM 0 HD3 LYS A 26 3.912 4.862 -7.792 1.00 1.00 H new ATOM 0 HE2 LYS A 26 5.791 5.124 -10.188 1.00 1.00 H new ATOM 0 HE3 LYS A 26 4.046 4.976 -10.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 4.041 7.185 -10.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 4.432 7.075 -8.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 5.662 7.284 -9.716 1.00 1.00 H new ATOM 418 N ASN A 27 9.915 6.701 -7.089 1.00 1.00 N ATOM 419 CA ASN A 27 10.427 7.814 -6.307 1.00 1.00 C ATOM 420 C ASN A 27 11.555 8.498 -7.080 1.00 1.00 C ATOM 421 O ASN A 27 12.393 9.179 -6.489 1.00 1.00 O ATOM 422 CB ASN A 27 10.993 7.332 -4.970 1.00 1.00 C ATOM 423 CG ASN A 27 10.248 7.970 -3.796 1.00 1.00 C ATOM 424 OD1 ASN A 27 9.545 7.315 -3.043 1.00 1.00 O ATOM 425 ND2 ASN A 27 10.438 9.281 -3.683 1.00 1.00 N ATOM 0 H ASN A 27 10.565 5.922 -7.200 1.00 1.00 H new ATOM 0 HA ASN A 27 9.604 8.504 -6.122 1.00 1.00 H new ATOM 0 HB2 ASN A 27 10.915 6.247 -4.908 1.00 1.00 H new ATOM 0 HB3 ASN A 27 12.053 7.579 -4.910 1.00 1.00 H new ATOM 0 HD21 ASN A 27 9.983 9.799 -2.932 1.00 1.00 H new ATOM 0 HD22 ASN A 27 11.039 9.768 -4.347 1.00 1.00 H new ATOM 432 N CYS A 28 11.542 8.294 -8.389 1.00 1.00 N ATOM 433 CA CYS A 28 12.554 8.884 -9.248 1.00 1.00 C ATOM 434 C CYS A 28 12.150 10.329 -9.545 1.00 1.00 C ATOM 435 O CYS A 28 11.143 10.573 -10.208 1.00 1.00 O ATOM 436 CB CYS A 28 12.750 8.071 -10.530 1.00 1.00 C ATOM 437 SG CYS A 28 14.212 8.687 -11.444 1.00 1.00 S ATOM 0 H CYS A 28 10.847 7.728 -8.876 1.00 1.00 H new ATOM 0 HA CYS A 28 13.518 8.875 -8.738 1.00 1.00 H new ATOM 0 HB2 CYS A 28 12.881 7.017 -10.286 1.00 1.00 H new ATOM 0 HB3 CYS A 28 11.861 8.145 -11.157 1.00 1.00 H new ATOM 442 N ARG A 29 12.957 11.251 -9.040 1.00 1.00 N ATOM 443 CA ARG A 29 12.696 12.666 -9.243 1.00 1.00 C ATOM 444 C ARG A 29 13.182 13.102 -10.627 1.00 1.00 C ATOM 445 O ARG A 29 13.120 14.283 -10.967 1.00 1.00 O ATOM 446 CB ARG A 29 13.393 13.513 -8.176 1.00 1.00 C ATOM 447 CG ARG A 29 14.913 13.372 -8.270 1.00 1.00 C ATOM 448 CD ARG A 29 15.505 12.906 -6.938 1.00 1.00 C ATOM 449 NE ARG A 29 15.384 13.981 -5.927 1.00 1.00 N ATOM 450 CZ ARG A 29 16.180 14.094 -4.843 1.00 1.00 C ATOM 451 NH1 ARG A 29 17.164 13.197 -4.620 1.00 1.00 N ATOM 452 NH2 ARG A 29 15.983 15.094 -4.005 1.00 1.00 N ATOM 0 H ARG A 29 13.792 11.046 -8.491 1.00 1.00 H new ATOM 0 HA ARG A 29 11.619 12.819 -9.167 1.00 1.00 H new ATOM 0 HB2 ARG A 29 13.113 14.559 -8.297 1.00 1.00 H new ATOM 0 HB3 ARG A 29 13.056 13.206 -7.186 1.00 1.00 H new ATOM 0 HG2 ARG A 29 15.168 12.659 -9.054 1.00 1.00 H new ATOM 0 HG3 ARG A 29 15.353 14.328 -8.553 1.00 1.00 H new ATOM 0 HD2 ARG A 29 14.987 12.011 -6.593 1.00 1.00 H new ATOM 0 HD3 ARG A 29 16.553 12.636 -7.071 1.00 1.00 H new ATOM 0 HE ARG A 29 14.653 14.680 -6.058 1.00 1.00 H new ATOM 0 HH11 ARG A 29 17.310 12.427 -5.273 1.00 1.00 H new ATOM 0 HH12 ARG A 29 17.762 13.289 -3.798 1.00 1.00 H new ATOM 0 HH21 ARG A 29 15.238 15.768 -4.181 1.00 1.00 H new ATOM 0 HH22 ARG A 29 16.576 15.193 -3.181 1.00 1.00 H new ATOM 465 N ALA A 30 13.653 12.126 -11.388 1.00 1.00 N ATOM 466 CA ALA A 30 14.149 12.394 -12.728 1.00 1.00 C ATOM 467 C ALA A 30 13.373 11.541 -13.734 1.00 1.00 C ATOM 468 O ALA A 30 13.881 10.531 -14.219 1.00 1.00 O ATOM 469 CB ALA A 30 15.655 12.130 -12.778 1.00 1.00 C ATOM 0 H ALA A 30 13.702 11.148 -11.103 1.00 1.00 H new ATOM 0 HA ALA A 30 13.993 13.440 -12.993 1.00 1.00 H new ATOM 0 HB1 ALA A 30 16.026 12.331 -13.783 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.162 12.781 -12.066 1.00 1.00 H new ATOM 0 HB3 ALA A 30 15.851 11.089 -12.520 1.00 1.00 H new ATOM 475 N PRO A 31 12.123 11.991 -14.026 1.00 1.00 N ATOM 476 CA PRO A 31 11.273 11.280 -14.965 1.00 1.00 C ATOM 477 C PRO A 31 11.731 11.515 -16.406 1.00 1.00 C ATOM 478 O PRO A 31 11.221 12.404 -17.086 1.00 1.00 O ATOM 479 CB PRO A 31 9.870 11.799 -14.696 1.00 1.00 C ATOM 480 CG PRO A 31 10.047 13.108 -13.945 1.00 1.00 C ATOM 481 CD PRO A 31 11.489 13.183 -13.471 1.00 1.00 C ATOM 0 HA PRO A 31 11.315 10.199 -14.835 1.00 1.00 H new ATOM 0 HB2 PRO A 31 9.326 11.954 -15.628 1.00 1.00 H new ATOM 0 HB3 PRO A 31 9.296 11.085 -14.106 1.00 1.00 H new ATOM 0 HG2 PRO A 31 9.814 13.954 -14.592 1.00 1.00 H new ATOM 0 HG3 PRO A 31 9.364 13.157 -13.097 1.00 1.00 H new ATOM 0 HD2 PRO A 31 11.976 14.092 -13.825 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.548 13.193 -12.383 1.00 1.00 H new ATOM 489 N ARG A 32 12.689 10.703 -16.829 1.00 1.00 N ATOM 490 CA ARG A 32 13.222 10.812 -18.176 1.00 1.00 C ATOM 491 C ARG A 32 14.035 9.564 -18.528 1.00 1.00 C ATOM 492 O ARG A 32 15.223 9.485 -18.219 1.00 1.00 O ATOM 493 CB ARG A 32 14.112 12.048 -18.318 1.00 1.00 C ATOM 494 CG ARG A 32 15.061 12.182 -17.125 1.00 1.00 C ATOM 495 CD ARG A 32 14.592 13.284 -16.173 1.00 1.00 C ATOM 496 NE ARG A 32 14.925 14.613 -16.735 1.00 1.00 N ATOM 497 CZ ARG A 32 16.097 15.249 -16.531 1.00 1.00 C ATOM 498 NH1 ARG A 32 17.061 14.683 -15.774 1.00 1.00 N ATOM 499 NH2 ARG A 32 16.287 16.434 -17.081 1.00 1.00 N ATOM 0 H ARG A 32 13.110 9.967 -16.262 1.00 1.00 H new ATOM 0 HA ARG A 32 12.378 10.905 -18.860 1.00 1.00 H new ATOM 0 HB2 ARG A 32 14.689 11.981 -19.240 1.00 1.00 H new ATOM 0 HB3 ARG A 32 13.491 12.940 -18.395 1.00 1.00 H new ATOM 0 HG2 ARG A 32 15.115 11.234 -16.591 1.00 1.00 H new ATOM 0 HG3 ARG A 32 16.067 12.406 -17.479 1.00 1.00 H new ATOM 0 HD2 ARG A 32 13.516 13.206 -16.015 1.00 1.00 H new ATOM 0 HD3 ARG A 32 15.067 13.162 -15.200 1.00 1.00 H new ATOM 0 HE ARG A 32 14.224 15.077 -17.313 1.00 1.00 H new ATOM 0 HH11 ARG A 32 16.906 13.768 -15.351 1.00 1.00 H new ATOM 0 HH12 ARG A 32 17.944 15.171 -15.625 1.00 1.00 H new ATOM 0 HH21 ARG A 32 15.553 16.856 -17.650 1.00 1.00 H new ATOM 0 HH22 ARG A 32 17.168 16.928 -16.936 1.00 1.00 H new ATOM 512 N LYS A 33 13.362 8.620 -19.169 1.00 1.00 N ATOM 513 CA LYS A 33 14.006 7.380 -19.566 1.00 1.00 C ATOM 514 C LYS A 33 14.276 7.409 -21.071 1.00 1.00 C ATOM 515 O LYS A 33 13.544 6.799 -21.849 1.00 1.00 O ATOM 516 CB LYS A 33 13.177 6.176 -19.113 1.00 1.00 C ATOM 517 CG LYS A 33 13.820 5.490 -17.906 1.00 1.00 C ATOM 518 CD LYS A 33 12.974 4.306 -17.434 1.00 1.00 C ATOM 519 CE LYS A 33 13.397 3.015 -18.138 1.00 1.00 C ATOM 520 NZ LYS A 33 13.800 1.992 -17.146 1.00 1.00 N ATOM 0 H LYS A 33 12.377 8.689 -19.423 1.00 1.00 H new ATOM 0 HA LYS A 33 14.972 7.277 -19.071 1.00 1.00 H new ATOM 0 HB2 LYS A 33 12.168 6.500 -18.857 1.00 1.00 H new ATOM 0 HB3 LYS A 33 13.084 5.464 -19.933 1.00 1.00 H new ATOM 0 HG2 LYS A 33 14.820 5.145 -18.169 1.00 1.00 H new ATOM 0 HG3 LYS A 33 13.934 6.207 -17.093 1.00 1.00 H new ATOM 0 HD2 LYS A 33 13.078 4.187 -16.355 1.00 1.00 H new ATOM 0 HD3 LYS A 33 11.921 4.505 -17.633 1.00 1.00 H new ATOM 0 HE2 LYS A 33 12.573 2.638 -18.744 1.00 1.00 H new ATOM 0 HE3 LYS A 33 14.225 3.218 -18.817 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 14.545 1.390 -17.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 14.161 2.461 -16.291 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 12.978 1.405 -16.899 1.00 1.00 H new ATOM 533 N LYS A 34 15.329 8.125 -21.438 1.00 1.00 N ATOM 534 CA LYS A 34 15.704 8.243 -22.836 1.00 1.00 C ATOM 535 C LYS A 34 14.740 9.200 -23.540 1.00 1.00 C ATOM 536 O LYS A 34 15.087 10.349 -23.810 1.00 1.00 O ATOM 537 CB LYS A 34 15.783 6.860 -23.487 1.00 1.00 C ATOM 538 CG LYS A 34 16.707 6.881 -24.707 1.00 1.00 C ATOM 539 CD LYS A 34 15.913 7.123 -25.992 1.00 1.00 C ATOM 540 CE LYS A 34 15.545 5.800 -26.667 1.00 1.00 C ATOM 541 NZ LYS A 34 16.736 5.194 -27.303 1.00 1.00 N ATOM 0 H LYS A 34 15.934 8.629 -20.790 1.00 1.00 H new ATOM 0 HA LYS A 34 16.702 8.672 -22.928 1.00 1.00 H new ATOM 0 HB2 LYS A 34 16.148 6.133 -22.762 1.00 1.00 H new ATOM 0 HB3 LYS A 34 14.786 6.538 -23.787 1.00 1.00 H new ATOM 0 HG2 LYS A 34 17.457 7.663 -24.586 1.00 1.00 H new ATOM 0 HG3 LYS A 34 17.242 5.934 -24.779 1.00 1.00 H new ATOM 0 HD2 LYS A 34 15.006 7.683 -25.763 1.00 1.00 H new ATOM 0 HD3 LYS A 34 16.501 7.734 -26.677 1.00 1.00 H new ATOM 0 HE2 LYS A 34 15.129 5.112 -25.930 1.00 1.00 H new ATOM 0 HE3 LYS A 34 14.772 5.970 -27.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 16.434 4.482 -27.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 17.288 5.934 -27.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 17.324 4.739 -26.576 1.00 1.00 H new ATOM 554 N GLY A 35 13.549 8.691 -23.817 1.00 1.00 N ATOM 555 CA GLY A 35 12.532 9.486 -24.485 1.00 1.00 C ATOM 556 C GLY A 35 11.150 9.228 -23.881 1.00 1.00 C ATOM 557 O GLY A 35 11.040 8.684 -22.783 1.00 1.00 O ATOM 0 H GLY A 35 13.265 7.738 -23.591 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.778 10.544 -24.400 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.519 9.247 -25.548 1.00 1.00 H new ATOM 561 N CYS A 36 10.130 9.629 -24.626 1.00 1.00 N ATOM 562 CA CYS A 36 8.760 9.448 -24.178 1.00 1.00 C ATOM 563 C CYS A 36 8.469 7.947 -24.118 1.00 1.00 C ATOM 564 O CYS A 36 8.452 7.273 -25.147 1.00 1.00 O ATOM 565 CB CYS A 36 7.768 10.186 -25.079 1.00 1.00 C ATOM 566 SG CYS A 36 6.103 10.173 -24.320 1.00 1.00 S ATOM 0 H CYS A 36 10.225 10.078 -25.537 1.00 1.00 H new ATOM 0 HA CYS A 36 8.639 9.881 -23.185 1.00 1.00 H new ATOM 0 HB2 CYS A 36 8.098 11.213 -25.233 1.00 1.00 H new ATOM 0 HB3 CYS A 36 7.733 9.712 -26.060 1.00 1.00 H new ATOM 571 N TRP A 37 8.247 7.468 -22.903 1.00 1.00 N ATOM 572 CA TRP A 37 7.957 6.059 -22.696 1.00 1.00 C ATOM 573 C TRP A 37 6.439 5.875 -22.753 1.00 1.00 C ATOM 574 O TRP A 37 5.921 4.835 -22.349 1.00 1.00 O ATOM 575 CB TRP A 37 8.571 5.560 -21.387 1.00 1.00 C ATOM 576 CG TRP A 37 9.564 4.409 -21.564 1.00 1.00 C ATOM 577 CD1 TRP A 37 10.751 4.244 -20.965 1.00 1.00 C ATOM 578 CD2 TRP A 37 9.405 3.262 -22.425 1.00 1.00 C ATOM 579 NE1 TRP A 37 11.367 3.079 -21.376 1.00 1.00 N ATOM 580 CE2 TRP A 37 10.523 2.463 -22.292 1.00 1.00 C ATOM 581 CE3 TRP A 37 8.352 2.910 -23.288 1.00 1.00 C ATOM 582 CZ2 TRP A 37 10.695 1.263 -22.991 1.00 1.00 C ATOM 583 CZ3 TRP A 37 8.540 1.708 -23.980 1.00 1.00 C ATOM 584 CH2 TRP A 37 9.659 0.892 -23.857 1.00 1.00 C ATOM 0 H TRP A 37 8.262 8.030 -22.052 1.00 1.00 H new ATOM 0 HA TRP A 37 8.410 5.453 -23.480 1.00 1.00 H new ATOM 0 HB2 TRP A 37 9.077 6.391 -20.895 1.00 1.00 H new ATOM 0 HB3 TRP A 37 7.770 5.236 -20.722 1.00 1.00 H new ATOM 0 HD1 TRP A 37 11.173 4.935 -20.251 1.00 1.00 H new ATOM 0 HE1 TRP A 37 12.275 2.734 -21.065 1.00 1.00 H new ATOM 0 HE3 TRP A 37 7.468 3.519 -23.407 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 11.580 0.655 -22.869 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 7.761 1.392 -24.658 1.00 1.00 H new ATOM 0 HH2 TRP A 37 9.729 -0.023 -24.426 1.00 1.00 H new ATOM 595 N LYS A 38 5.769 6.901 -23.257 1.00 1.00 N ATOM 596 CA LYS A 38 4.321 6.865 -23.372 1.00 1.00 C ATOM 597 C LYS A 38 3.935 6.650 -24.836 1.00 1.00 C ATOM 598 O LYS A 38 3.048 5.853 -25.137 1.00 1.00 O ATOM 599 CB LYS A 38 3.704 8.120 -22.751 1.00 1.00 C ATOM 600 CG LYS A 38 2.226 7.898 -22.421 1.00 1.00 C ATOM 601 CD LYS A 38 1.344 8.189 -23.637 1.00 1.00 C ATOM 602 CE LYS A 38 0.308 7.082 -23.840 1.00 1.00 C ATOM 603 NZ LYS A 38 -0.978 7.452 -23.207 1.00 1.00 N ATOM 0 H LYS A 38 6.202 7.762 -23.590 1.00 1.00 H new ATOM 0 HA LYS A 38 3.914 6.025 -22.809 1.00 1.00 H new ATOM 0 HB2 LYS A 38 4.247 8.386 -21.844 1.00 1.00 H new ATOM 0 HB3 LYS A 38 3.805 8.958 -23.440 1.00 1.00 H new ATOM 0 HG2 LYS A 38 2.073 6.870 -22.094 1.00 1.00 H new ATOM 0 HG3 LYS A 38 1.934 8.543 -21.592 1.00 1.00 H new ATOM 0 HD2 LYS A 38 0.838 9.145 -23.503 1.00 1.00 H new ATOM 0 HD3 LYS A 38 1.965 8.279 -24.528 1.00 1.00 H new ATOM 0 HE2 LYS A 38 0.158 6.907 -24.905 1.00 1.00 H new ATOM 0 HE3 LYS A 38 0.675 6.149 -23.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -1.670 6.689 -23.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -0.834 7.596 -22.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -1.335 8.330 -23.634 1.00 1.00 H new ATOM 616 N CYS A 39 4.620 7.376 -25.708 1.00 1.00 N ATOM 617 CA CYS A 39 4.360 7.274 -27.134 1.00 1.00 C ATOM 618 C CYS A 39 5.533 6.539 -27.785 1.00 1.00 C ATOM 619 O CYS A 39 5.378 5.929 -28.843 1.00 1.00 O ATOM 620 CB CYS A 39 4.126 8.648 -27.766 1.00 1.00 C ATOM 621 SG CYS A 39 5.560 9.738 -27.443 1.00 1.00 S ATOM 0 H CYS A 39 5.354 8.037 -25.454 1.00 1.00 H new ATOM 0 HA CYS A 39 3.442 6.710 -27.299 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.974 8.542 -28.840 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.220 9.095 -27.358 1.00 1.00 H new ATOM 626 N GLY A 40 6.680 6.620 -27.127 1.00 1.00 N ATOM 627 CA GLY A 40 7.878 5.970 -27.629 1.00 1.00 C ATOM 628 C GLY A 40 8.730 6.945 -28.445 1.00 1.00 C ATOM 629 O GLY A 40 9.832 6.604 -28.872 1.00 1.00 O ATOM 0 H GLY A 40 6.805 7.126 -26.250 1.00 1.00 H new ATOM 0 HA2 GLY A 40 8.462 5.581 -26.795 1.00 1.00 H new ATOM 0 HA3 GLY A 40 7.601 5.117 -28.249 1.00 1.00 H new ATOM 633 N LYS A 41 8.186 8.138 -28.637 1.00 1.00 N ATOM 634 CA LYS A 41 8.882 9.164 -29.395 1.00 1.00 C ATOM 635 C LYS A 41 9.873 9.885 -28.478 1.00 1.00 C ATOM 636 O LYS A 41 9.658 9.969 -27.270 1.00 1.00 O ATOM 637 CB LYS A 41 7.881 10.100 -30.074 1.00 1.00 C ATOM 638 CG LYS A 41 7.872 9.886 -31.590 1.00 1.00 C ATOM 639 CD LYS A 41 7.643 8.412 -31.933 1.00 1.00 C ATOM 640 CE LYS A 41 6.671 8.267 -33.106 1.00 1.00 C ATOM 641 NZ LYS A 41 6.668 6.875 -33.607 1.00 1.00 N ATOM 0 H LYS A 41 7.272 8.417 -28.281 1.00 1.00 H new ATOM 0 HA LYS A 41 9.461 8.715 -30.202 1.00 1.00 H new ATOM 0 HB2 LYS A 41 6.883 9.924 -29.672 1.00 1.00 H new ATOM 0 HB3 LYS A 41 8.137 11.136 -29.851 1.00 1.00 H new ATOM 0 HG2 LYS A 41 7.089 10.495 -32.042 1.00 1.00 H new ATOM 0 HG3 LYS A 41 8.819 10.219 -32.014 1.00 1.00 H new ATOM 0 HD2 LYS A 41 8.594 7.941 -32.183 1.00 1.00 H new ATOM 0 HD3 LYS A 41 7.248 7.889 -31.062 1.00 1.00 H new ATOM 0 HE2 LYS A 41 5.666 8.548 -32.790 1.00 1.00 H new ATOM 0 HE3 LYS A 41 6.956 8.948 -33.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 6.003 6.794 -34.403 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 7.624 6.619 -33.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 6.375 6.232 -32.844 1.00 1.00 H new ATOM 654 N GLU A 42 10.937 10.386 -29.088 1.00 1.00 N ATOM 655 CA GLU A 42 11.961 11.097 -28.341 1.00 1.00 C ATOM 656 C GLU A 42 11.865 12.601 -28.608 1.00 1.00 C ATOM 657 O GLU A 42 11.269 13.022 -29.598 1.00 1.00 O ATOM 658 CB GLU A 42 13.356 10.568 -28.683 1.00 1.00 C ATOM 659 CG GLU A 42 13.892 11.220 -29.959 1.00 1.00 C ATOM 660 CD GLU A 42 14.834 10.272 -30.705 1.00 1.00 C ATOM 661 OE1 GLU A 42 15.524 9.459 -30.072 1.00 1.00 O ATOM 662 OE2 GLU A 42 14.832 10.400 -31.989 1.00 1.00 O ATOM 0 H GLU A 42 11.112 10.314 -30.090 1.00 1.00 H new ATOM 0 HA GLU A 42 11.793 10.925 -27.278 1.00 1.00 H new ATOM 0 HB2 GLU A 42 14.037 10.766 -27.855 1.00 1.00 H new ATOM 0 HB3 GLU A 42 13.317 9.486 -28.812 1.00 1.00 H new ATOM 0 HG2 GLU A 42 13.061 11.497 -30.607 1.00 1.00 H new ATOM 0 HG3 GLU A 42 14.420 12.140 -29.708 1.00 1.00 H new ATOM 670 N GLY A 43 12.461 13.368 -27.707 1.00 1.00 N ATOM 671 CA GLY A 43 12.450 14.816 -27.833 1.00 1.00 C ATOM 672 C GLY A 43 11.207 15.414 -27.171 1.00 1.00 C ATOM 673 O GLY A 43 10.836 16.552 -27.454 1.00 1.00 O ATOM 0 H GLY A 43 12.954 13.015 -26.887 1.00 1.00 H new ATOM 0 HA2 GLY A 43 13.347 15.232 -27.373 1.00 1.00 H new ATOM 0 HA3 GLY A 43 12.474 15.093 -28.887 1.00 1.00 H new ATOM 677 N HIS A 44 10.597 14.620 -26.303 1.00 1.00 N ATOM 678 CA HIS A 44 9.404 15.057 -25.600 1.00 1.00 C ATOM 679 C HIS A 44 8.969 13.977 -24.607 1.00 1.00 C ATOM 680 O HIS A 44 9.466 12.852 -24.650 1.00 1.00 O ATOM 681 CB HIS A 44 8.298 15.434 -26.587 1.00 1.00 C ATOM 682 CG HIS A 44 7.343 14.307 -26.900 1.00 1.00 C ATOM 683 ND1 HIS A 44 7.270 13.710 -28.147 1.00 1.00 N ATOM 684 CD2 HIS A 44 6.424 13.673 -26.116 1.00 1.00 C ATOM 685 CE1 HIS A 44 6.345 12.763 -28.104 1.00 1.00 C ATOM 686 NE2 HIS A 44 5.822 12.742 -26.844 1.00 1.00 N ATOM 0 H HIS A 44 10.907 13.676 -26.071 1.00 1.00 H new ATOM 0 HA HIS A 44 9.624 15.959 -25.030 1.00 1.00 H new ATOM 0 HB2 HIS A 44 7.733 16.273 -26.180 1.00 1.00 H new ATOM 0 HB3 HIS A 44 8.755 15.777 -27.515 1.00 1.00 H new ATOM 0 HD1 HIS A 44 7.833 13.957 -28.961 1.00 1.00 H new ATOM 0 HD2 HIS A 44 6.221 13.892 -25.078 1.00 1.00 H new ATOM 0 HE1 HIS A 44 6.056 12.120 -28.922 1.00 1.00 H new ATOM 694 N GLN A 45 8.046 14.356 -23.736 1.00 1.00 N ATOM 695 CA GLN A 45 7.538 13.434 -22.734 1.00 1.00 C ATOM 696 C GLN A 45 6.117 13.824 -22.325 1.00 1.00 C ATOM 697 O GLN A 45 5.536 14.750 -22.890 1.00 1.00 O ATOM 698 CB GLN A 45 8.465 13.383 -21.517 1.00 1.00 C ATOM 699 CG GLN A 45 9.660 12.464 -21.777 1.00 1.00 C ATOM 700 CD GLN A 45 9.902 11.530 -20.589 1.00 1.00 C ATOM 701 OE1 GLN A 45 9.265 11.623 -19.553 1.00 1.00 O ATOM 702 NE2 GLN A 45 10.855 10.626 -20.797 1.00 1.00 N ATOM 0 H GLN A 45 7.636 15.290 -23.703 1.00 1.00 H new ATOM 0 HA GLN A 45 7.508 12.435 -23.169 1.00 1.00 H new ATOM 0 HB2 GLN A 45 8.818 14.387 -21.282 1.00 1.00 H new ATOM 0 HB3 GLN A 45 7.911 13.028 -20.648 1.00 1.00 H new ATOM 0 HG2 GLN A 45 9.482 11.875 -22.677 1.00 1.00 H new ATOM 0 HG3 GLN A 45 10.552 13.064 -21.960 1.00 1.00 H new ATOM 0 HE21 GLN A 45 11.350 10.603 -21.688 1.00 1.00 H new ATOM 0 HE22 GLN A 45 11.091 9.956 -20.065 1.00 1.00 H new ATOM 711 N MET A 46 5.597 13.099 -21.346 1.00 1.00 N ATOM 712 CA MET A 46 4.254 13.357 -20.854 1.00 1.00 C ATOM 713 C MET A 46 4.065 14.840 -20.529 1.00 1.00 C ATOM 714 O MET A 46 3.018 15.415 -20.822 1.00 1.00 O ATOM 715 CB MET A 46 4.000 12.523 -19.597 1.00 1.00 C ATOM 716 CG MET A 46 5.109 12.736 -18.565 1.00 1.00 C ATOM 717 SD MET A 46 4.585 13.927 -17.343 1.00 1.00 S ATOM 718 CE MET A 46 3.615 12.872 -16.279 1.00 1.00 C ATOM 0 H MET A 46 6.082 12.332 -20.880 1.00 1.00 H new ATOM 0 HA MET A 46 3.543 13.081 -21.633 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.038 12.796 -19.164 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.943 11.467 -19.862 1.00 1.00 H new ATOM 0 HG2 MET A 46 5.354 11.790 -18.082 1.00 1.00 H new ATOM 0 HG3 MET A 46 6.015 13.085 -19.060 1.00 1.00 H new ATOM 0 HE1 MET A 46 3.209 13.460 -15.456 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.796 12.433 -16.850 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.246 12.077 -15.881 1.00 1.00 H new ATOM 728 N LYS A 47 5.096 15.417 -19.928 1.00 1.00 N ATOM 729 CA LYS A 47 5.056 16.822 -19.560 1.00 1.00 C ATOM 730 C LYS A 47 4.376 17.619 -20.676 1.00 1.00 C ATOM 731 O LYS A 47 3.741 18.639 -20.416 1.00 1.00 O ATOM 732 CB LYS A 47 6.460 17.325 -19.214 1.00 1.00 C ATOM 733 CG LYS A 47 6.406 18.384 -18.111 1.00 1.00 C ATOM 734 CD LYS A 47 7.575 19.363 -18.234 1.00 1.00 C ATOM 735 CE LYS A 47 7.158 20.621 -18.999 1.00 1.00 C ATOM 736 NZ LYS A 47 7.635 20.558 -20.399 1.00 1.00 N ATOM 0 H LYS A 47 5.963 14.937 -19.687 1.00 1.00 H new ATOM 0 HA LYS A 47 4.460 16.962 -18.658 1.00 1.00 H new ATOM 0 HB2 LYS A 47 7.080 16.489 -18.891 1.00 1.00 H new ATOM 0 HB3 LYS A 47 6.929 17.745 -20.104 1.00 1.00 H new ATOM 0 HG2 LYS A 47 5.463 18.928 -18.170 1.00 1.00 H new ATOM 0 HG3 LYS A 47 6.434 17.900 -17.135 1.00 1.00 H new ATOM 0 HD2 LYS A 47 7.930 19.638 -17.241 1.00 1.00 H new ATOM 0 HD3 LYS A 47 8.406 18.880 -18.747 1.00 1.00 H new ATOM 0 HE2 LYS A 47 6.073 20.721 -18.982 1.00 1.00 H new ATOM 0 HE3 LYS A 47 7.567 21.504 -18.509 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.373 21.434 -20.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 8.669 20.451 -20.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.198 19.745 -20.878 1.00 1.00 H new ATOM 749 N ASP A 48 4.533 17.121 -21.894 1.00 1.00 N ATOM 750 CA ASP A 48 3.941 17.774 -23.050 1.00 1.00 C ATOM 751 C ASP A 48 3.757 16.748 -24.170 1.00 1.00 C ATOM 752 O ASP A 48 3.987 17.052 -25.339 1.00 1.00 O ATOM 753 CB ASP A 48 4.847 18.889 -23.576 1.00 1.00 C ATOM 754 CG ASP A 48 4.121 20.022 -24.304 1.00 1.00 C ATOM 755 OD1 ASP A 48 4.087 21.168 -23.830 1.00 1.00 O ATOM 756 OD2 ASP A 48 3.565 19.686 -25.418 1.00 1.00 O ATOM 0 H ASP A 48 5.061 16.274 -22.106 1.00 1.00 H new ATOM 0 HA ASP A 48 2.985 18.199 -22.745 1.00 1.00 H new ATOM 0 HB2 ASP A 48 5.401 19.312 -22.738 1.00 1.00 H new ATOM 0 HB3 ASP A 48 5.579 18.452 -24.255 1.00 1.00 H new ATOM 762 N CYS A 49 3.342 15.554 -23.773 1.00 1.00 N ATOM 763 CA CYS A 49 3.123 14.481 -24.729 1.00 1.00 C ATOM 764 C CYS A 49 1.841 14.785 -25.506 1.00 1.00 C ATOM 765 O CYS A 49 1.838 15.628 -26.401 1.00 1.00 O ATOM 766 CB CYS A 49 3.065 13.115 -24.042 1.00 1.00 C ATOM 767 SG CYS A 49 2.599 11.825 -25.254 1.00 1.00 S ATOM 0 H CYS A 49 3.152 15.306 -22.802 1.00 1.00 H new ATOM 0 HA CYS A 49 3.963 14.430 -25.422 1.00 1.00 H new ATOM 0 HB2 CYS A 49 4.034 12.879 -23.601 1.00 1.00 H new ATOM 0 HB3 CYS A 49 2.341 13.139 -23.227 1.00 1.00 H new ATOM 772 N THR A 50 0.782 14.080 -25.136 1.00 1.00 N ATOM 773 CA THR A 50 -0.504 14.263 -25.788 1.00 1.00 C ATOM 774 C THR A 50 -0.353 14.152 -27.306 1.00 1.00 C ATOM 775 O THR A 50 -1.212 14.616 -28.054 1.00 1.00 O ATOM 776 CB THR A 50 -1.078 15.606 -25.331 1.00 1.00 C ATOM 777 OG1 THR A 50 -0.472 16.557 -26.202 1.00 1.00 O ATOM 778 CG2 THR A 50 -0.588 16.009 -23.939 1.00 1.00 C ATOM 0 H THR A 50 0.788 13.381 -24.393 1.00 1.00 H new ATOM 0 HA THR A 50 -1.206 13.479 -25.505 1.00 1.00 H new ATOM 0 HB THR A 50 -2.167 15.554 -25.331 1.00 1.00 H new ATOM 0 HG1 THR A 50 0.499 16.548 -26.071 1.00 1.00 H new ATOM 0 HG21 THR A 50 -1.025 16.969 -23.663 1.00 1.00 H new ATOM 0 HG22 THR A 50 -0.888 15.252 -23.214 1.00 1.00 H new ATOM 0 HG23 THR A 50 0.499 16.094 -23.946 1.00 1.00 H new ATOM 786 N GLU A 51 0.745 13.533 -27.715 1.00 1.00 N ATOM 787 CA GLU A 51 1.019 13.355 -29.131 1.00 1.00 C ATOM 788 C GLU A 51 0.187 12.200 -29.692 1.00 1.00 C ATOM 789 O GLU A 51 -0.891 11.902 -29.181 1.00 1.00 O ATOM 790 CB GLU A 51 2.512 13.124 -29.375 1.00 1.00 C ATOM 791 CG GLU A 51 3.001 13.931 -30.580 1.00 1.00 C ATOM 792 CD GLU A 51 4.141 14.871 -30.184 1.00 1.00 C ATOM 793 OE1 GLU A 51 5.284 14.681 -30.625 1.00 1.00 O ATOM 794 OE2 GLU A 51 3.806 15.829 -29.388 1.00 1.00 O ATOM 0 H GLU A 51 1.455 13.149 -27.091 1.00 1.00 H new ATOM 0 HA GLU A 51 0.735 14.268 -29.654 1.00 1.00 H new ATOM 0 HB2 GLU A 51 3.078 13.409 -28.488 1.00 1.00 H new ATOM 0 HB3 GLU A 51 2.697 12.063 -29.544 1.00 1.00 H new ATOM 0 HG2 GLU A 51 3.340 13.253 -31.363 1.00 1.00 H new ATOM 0 HG3 GLU A 51 2.175 14.509 -30.994 1.00 1.00 H new ATOM 802 N ARG A 52 0.720 11.581 -30.735 1.00 1.00 N ATOM 803 CA ARG A 52 0.039 10.465 -31.371 1.00 1.00 C ATOM 804 C ARG A 52 0.934 9.224 -31.363 1.00 1.00 C ATOM 805 O ARG A 52 2.158 9.337 -31.310 1.00 1.00 O ATOM 806 CB ARG A 52 -0.341 10.802 -32.814 1.00 1.00 C ATOM 807 CG ARG A 52 -1.559 9.991 -33.263 1.00 1.00 C ATOM 808 CD ARG A 52 -1.895 10.274 -34.729 1.00 1.00 C ATOM 809 NE ARG A 52 -1.503 9.121 -35.570 1.00 1.00 N ATOM 810 CZ ARG A 52 -2.304 8.065 -35.827 1.00 1.00 C ATOM 811 NH1 ARG A 52 -3.550 8.008 -35.310 1.00 1.00 N ATOM 812 NH2 ARG A 52 -1.851 7.090 -36.592 1.00 1.00 N ATOM 0 H ARG A 52 1.615 11.831 -31.156 1.00 1.00 H new ATOM 0 HA ARG A 52 -0.871 10.265 -30.805 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -0.558 11.867 -32.898 1.00 1.00 H new ATOM 0 HB3 ARG A 52 0.502 10.595 -33.474 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -1.361 8.927 -33.130 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -2.416 10.237 -32.636 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -2.963 10.466 -34.835 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -1.375 11.172 -35.063 1.00 1.00 H new ATOM 0 HE ARG A 52 -0.570 9.124 -35.981 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -3.893 8.766 -34.720 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -4.149 7.207 -35.509 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -0.909 7.141 -36.979 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -2.443 6.285 -36.796 1.00 1.00 H new ATOM 825 N GLN A 53 0.289 8.068 -31.416 1.00 1.00 N ATOM 826 CA GLN A 53 1.010 6.807 -31.416 1.00 1.00 C ATOM 827 C GLN A 53 0.106 5.678 -31.914 1.00 1.00 C ATOM 828 O GLN A 53 -1.053 5.584 -31.515 1.00 1.00 O ATOM 829 CB GLN A 53 1.564 6.493 -30.025 1.00 1.00 C ATOM 830 CG GLN A 53 0.437 6.403 -28.993 1.00 1.00 C ATOM 831 CD GLN A 53 0.649 5.216 -28.052 1.00 1.00 C ATOM 832 OE1 GLN A 53 1.128 5.351 -26.938 1.00 1.00 O ATOM 833 NE2 GLN A 53 0.266 4.048 -28.560 1.00 1.00 N ATOM 0 H GLN A 53 -0.726 7.978 -31.459 1.00 1.00 H new ATOM 0 HA GLN A 53 1.856 6.895 -32.097 1.00 1.00 H new ATOM 0 HB2 GLN A 53 2.113 5.552 -30.052 1.00 1.00 H new ATOM 0 HB3 GLN A 53 2.272 7.267 -29.729 1.00 1.00 H new ATOM 0 HG2 GLN A 53 0.393 7.326 -28.415 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -0.521 6.301 -29.503 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -0.128 4.005 -29.500 1.00 1.00 H new ATOM 0 HE22 GLN A 53 0.366 3.195 -28.010 1.00 1.00 H new ATOM 842 N ALA A 54 0.671 4.849 -32.780 1.00 1.00 N ATOM 843 CA ALA A 54 -0.069 3.730 -33.337 1.00 1.00 C ATOM 844 C ALA A 54 -1.225 4.261 -34.187 1.00 1.00 C ATOM 845 O ALA A 54 -1.142 4.277 -35.414 1.00 1.00 O ATOM 846 CB ALA A 54 -0.549 2.820 -32.204 1.00 1.00 C ATOM 0 H ALA A 54 1.633 4.930 -33.109 1.00 1.00 H new ATOM 0 HA ALA A 54 0.571 3.132 -33.986 1.00 1.00 H new ATOM 0 HB1 ALA A 54 -1.104 1.980 -32.622 1.00 1.00 H new ATOM 0 HB2 ALA A 54 0.311 2.446 -31.649 1.00 1.00 H new ATOM 0 HB3 ALA A 54 -1.196 3.385 -31.533 1.00 1.00 H new ATOM 852 N ASN A 55 -2.277 4.684 -33.501 1.00 1.00 N ATOM 853 CA ASN A 55 -3.448 5.215 -34.178 1.00 1.00 C ATOM 854 C ASN A 55 -4.113 6.266 -33.287 1.00 1.00 C ATOM 855 O ASN A 55 -5.097 6.889 -33.685 1.00 1.00 O ATOM 856 CB ASN A 55 -4.472 4.112 -34.453 1.00 1.00 C ATOM 857 CG ASN A 55 -4.440 3.690 -35.924 1.00 1.00 C ATOM 858 OD1 ASN A 55 -3.574 4.080 -36.690 1.00 1.00 O ATOM 859 ND2 ASN A 55 -5.429 2.872 -36.273 1.00 1.00 N ATOM 0 H ASN A 55 -2.343 4.670 -32.483 1.00 1.00 H new ATOM 0 HA ASN A 55 -3.124 5.650 -35.123 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -4.263 3.250 -33.819 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -5.470 4.464 -34.193 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -5.495 2.532 -37.232 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -6.121 2.584 -35.581 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 15.780 7.643 -10.119 1.00 1.00 ZN HETATM 868 ZN ZN A 57 4.751 11.293 -25.878 1.00 1.00 ZN