USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 47 HIS : no HD1:sc= -3.5! C(o=-3.1!,f=-3!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.362 K(o=-3.1,f=-12!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.136 K(o=0.77,f=0.1) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.631 K(o=0.77,f=-3!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.778! C(o=-5.5!,f=-12!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -178:sc= 0.0437 (180deg=0) USER MOD Set 3.3: A 21 GLN : amide:sc= -4.4! C(o=-5.5!,f=-7.2!) USER MOD Set 3.4: A 31 HIS : no HD1:sc= -0.361 X(o=-5.5,f=-5.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0465 X(o=-0.047,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0.00586 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 0.815 (180deg=0.291) USER MOD Single : A 54 CYS SG : rot 180:sc=-0.00722 USER MOD Single : A 58 MET CE :methyl -152:sc= -0.0928 (180deg=-0.659) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.124 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0979 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.114 11.348 4.503 1.00 0.00 N ATOM 12 CA ASP A 2 3.464 10.057 4.648 1.00 0.00 C ATOM 13 C ASP A 2 2.415 9.893 3.546 1.00 0.00 C ATOM 14 O ASP A 2 2.329 8.839 2.917 1.00 0.00 O ATOM 15 CB ASP A 2 2.753 9.947 5.998 1.00 0.00 C ATOM 16 CG ASP A 2 3.096 11.050 7.002 1.00 0.00 C ATOM 17 OD1 ASP A 2 4.082 10.950 7.747 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.291 12.058 7.000 1.00 0.00 O ATOM 0 HA ASP A 2 4.230 9.284 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.677 9.955 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.998 8.983 6.443 1.00 0.00 H new ATOM 24 N ASP A 3 1.642 10.951 3.347 1.00 0.00 N ATOM 25 CA ASP A 3 0.602 10.937 2.332 1.00 0.00 C ATOM 26 C ASP A 3 1.245 10.792 0.951 1.00 0.00 C ATOM 27 O ASP A 3 1.998 11.663 0.519 1.00 0.00 O ATOM 28 CB ASP A 3 -0.198 12.241 2.347 1.00 0.00 C ATOM 29 CG ASP A 3 -0.188 12.991 3.680 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.971 12.686 4.591 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.682 13.940 3.765 1.00 0.00 O ATOM 0 H ASP A 3 1.715 11.823 3.871 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.065 10.102 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.196 12.900 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.231 12.019 2.080 1.00 0.00 H new ATOM 37 N ILE A 4 0.923 9.686 0.298 1.00 0.00 N ATOM 38 CA ILE A 4 1.460 9.416 -1.026 1.00 0.00 C ATOM 39 C ILE A 4 0.315 9.037 -1.968 1.00 0.00 C ATOM 40 O ILE A 4 -0.487 8.159 -1.654 1.00 0.00 O ATOM 41 CB ILE A 4 2.568 8.363 -0.950 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.703 8.827 -0.035 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.072 7.996 -2.347 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.844 7.808 -0.016 1.00 0.00 C ATOM 0 H ILE A 4 0.297 8.966 0.660 1.00 0.00 H new ATOM 0 HA ILE A 4 1.929 10.310 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 4 2.149 7.458 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.078 9.792 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.323 8.972 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.859 7.246 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.248 7.594 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.469 8.886 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.637 8.162 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.471 6.851 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.238 7.684 -1.025 1.00 0.00 H new ATOM 56 N VAL A 5 0.276 9.718 -3.104 1.00 0.00 N ATOM 57 CA VAL A 5 -0.756 9.464 -4.094 1.00 0.00 C ATOM 58 C VAL A 5 -0.193 8.559 -5.191 1.00 0.00 C ATOM 59 O VAL A 5 0.772 8.919 -5.863 1.00 0.00 O ATOM 60 CB VAL A 5 -1.302 10.788 -4.632 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.328 10.547 -5.741 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.901 11.633 -3.505 1.00 0.00 C ATOM 0 H VAL A 5 0.943 10.446 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.598 8.940 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.469 11.345 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.701 11.504 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.857 10.004 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.158 9.961 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.282 12.569 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.717 11.085 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.132 11.848 -2.763 1.00 0.00 H new ATOM 72 N LEU A 6 -0.820 7.401 -5.339 1.00 0.00 N ATOM 73 CA LEU A 6 -0.394 6.442 -6.343 1.00 0.00 C ATOM 74 C LEU A 6 -1.268 6.592 -7.590 1.00 0.00 C ATOM 75 O LEU A 6 -2.378 6.063 -7.641 1.00 0.00 O ATOM 76 CB LEU A 6 -0.387 5.026 -5.764 1.00 0.00 C ATOM 77 CG LEU A 6 0.586 4.778 -4.609 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.191 3.530 -3.818 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.028 4.705 -5.113 1.00 0.00 C ATOM 0 H LEU A 6 -1.620 7.106 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 6 0.633 6.642 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.394 4.790 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.152 4.328 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 6 0.527 5.625 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.899 3.377 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.811 3.661 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.203 2.662 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.699 4.528 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.122 3.889 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.292 5.645 -5.597 1.00 0.00 H new ATOM 91 N LYS A 7 -0.736 7.315 -8.564 1.00 0.00 N ATOM 92 CA LYS A 7 -1.454 7.542 -9.806 1.00 0.00 C ATOM 93 C LYS A 7 -1.935 6.201 -10.364 1.00 0.00 C ATOM 94 O LYS A 7 -1.170 5.239 -10.423 1.00 0.00 O ATOM 95 CB LYS A 7 -0.592 8.342 -10.785 1.00 0.00 C ATOM 96 CG LYS A 7 0.661 7.557 -11.180 1.00 0.00 C ATOM 97 CD LYS A 7 1.914 8.173 -10.554 1.00 0.00 C ATOM 98 CE LYS A 7 2.477 7.272 -9.455 1.00 0.00 C ATOM 99 NZ LYS A 7 3.585 6.443 -9.981 1.00 0.00 N ATOM 0 H LYS A 7 0.185 7.752 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.341 8.150 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.173 8.580 -11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.304 9.290 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.561 6.520 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.760 7.546 -12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.670 8.330 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.674 9.152 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.833 7.881 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.688 6.629 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.956 5.837 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.235 5.848 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.344 7.061 -10.333 1.00 0.00 H new ATOM 112 N ALA A 8 -3.199 6.180 -10.759 1.00 0.00 N ATOM 113 CA ALA A 8 -3.791 4.972 -11.310 1.00 0.00 C ATOM 114 C ALA A 8 -4.750 5.350 -12.441 1.00 0.00 C ATOM 115 O ALA A 8 -5.462 6.349 -12.348 1.00 0.00 O ATOM 116 CB ALA A 8 -4.484 4.188 -10.195 1.00 0.00 C ATOM 0 H ALA A 8 -3.830 6.980 -10.709 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.022 4.325 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.928 3.282 -10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.754 3.918 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.265 4.804 -9.749 1.00 0.00 H new ATOM 122 N LYS A 9 -4.738 4.531 -13.482 1.00 0.00 N ATOM 123 CA LYS A 9 -5.598 4.766 -14.630 1.00 0.00 C ATOM 124 C LYS A 9 -7.016 4.293 -14.304 1.00 0.00 C ATOM 125 O LYS A 9 -7.898 4.325 -15.162 1.00 0.00 O ATOM 126 CB LYS A 9 -5.007 4.120 -15.884 1.00 0.00 C ATOM 127 CG LYS A 9 -5.078 2.594 -15.800 1.00 0.00 C ATOM 128 CD LYS A 9 -5.424 1.985 -17.160 1.00 0.00 C ATOM 129 CE LYS A 9 -5.165 0.477 -17.168 1.00 0.00 C ATOM 130 NZ LYS A 9 -6.292 -0.239 -17.806 1.00 0.00 N ATOM 0 H LYS A 9 -4.146 3.703 -13.555 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.659 5.832 -14.848 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.549 4.465 -16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.970 4.433 -16.005 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.122 2.201 -15.454 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.828 2.301 -15.065 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.471 2.179 -17.393 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.830 2.464 -17.938 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.241 0.264 -17.705 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.031 0.120 -16.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.100 -1.261 -17.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.167 -0.050 -17.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.402 0.090 -18.787 1.00 0.00 H new ATOM 143 N ASN A 10 -7.193 3.865 -13.062 1.00 0.00 N ATOM 144 CA ASN A 10 -8.489 3.386 -12.613 1.00 0.00 C ATOM 145 C ASN A 10 -8.811 4.002 -11.250 1.00 0.00 C ATOM 146 O ASN A 10 -9.498 3.389 -10.435 1.00 0.00 O ATOM 147 CB ASN A 10 -8.489 1.864 -12.455 1.00 0.00 C ATOM 148 CG ASN A 10 -9.809 1.262 -12.939 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.282 1.534 -14.031 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.377 0.432 -12.069 1.00 0.00 N ATOM 0 H ASN A 10 -6.460 3.840 -12.353 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.231 3.672 -13.359 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.661 1.436 -13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.328 1.604 -11.409 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.262 -0.020 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.928 0.248 -11.172 1.00 0.00 H new ATOM 157 N GLY A 11 -8.300 5.207 -11.046 1.00 0.00 N ATOM 158 CA GLY A 11 -8.525 5.914 -9.797 1.00 0.00 C ATOM 159 C GLY A 11 -7.273 5.885 -8.918 1.00 0.00 C ATOM 160 O GLY A 11 -6.753 4.815 -8.605 1.00 0.00 O ATOM 0 H GLY A 11 -7.731 5.712 -11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.804 6.947 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.359 5.460 -9.263 1.00 0.00 H new ATOM 164 N ASP A 12 -6.824 7.075 -8.543 1.00 0.00 N ATOM 165 CA ASP A 12 -5.643 7.200 -7.707 1.00 0.00 C ATOM 166 C ASP A 12 -5.891 6.493 -6.372 1.00 0.00 C ATOM 167 O ASP A 12 -7.038 6.321 -5.961 1.00 0.00 O ATOM 168 CB ASP A 12 -5.329 8.668 -7.413 1.00 0.00 C ATOM 169 CG ASP A 12 -6.337 9.375 -6.504 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.114 9.519 -5.293 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.404 9.795 -7.096 1.00 0.00 O ATOM 0 H ASP A 12 -7.258 7.961 -8.803 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.804 6.751 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.343 8.728 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.273 9.208 -8.358 1.00 0.00 H new ATOM 177 N VAL A 13 -4.798 6.103 -5.733 1.00 0.00 N ATOM 178 CA VAL A 13 -4.883 5.419 -4.454 1.00 0.00 C ATOM 179 C VAL A 13 -4.157 6.245 -3.390 1.00 0.00 C ATOM 180 O VAL A 13 -2.958 6.496 -3.505 1.00 0.00 O ATOM 181 CB VAL A 13 -4.335 3.997 -4.584 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.462 3.237 -3.262 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.030 3.242 -5.719 1.00 0.00 C ATOM 0 H VAL A 13 -3.849 6.248 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.922 5.325 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.275 4.068 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.065 2.229 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.900 3.758 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.512 3.182 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.621 2.234 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.100 3.187 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.865 3.767 -6.660 1.00 0.00 H new ATOM 193 N LYS A 14 -4.914 6.644 -2.379 1.00 0.00 N ATOM 194 CA LYS A 14 -4.358 7.436 -1.295 1.00 0.00 C ATOM 195 C LYS A 14 -3.764 6.502 -0.239 1.00 0.00 C ATOM 196 O LYS A 14 -4.498 5.867 0.517 1.00 0.00 O ATOM 197 CB LYS A 14 -5.409 8.400 -0.742 1.00 0.00 C ATOM 198 CG LYS A 14 -4.750 9.556 0.013 1.00 0.00 C ATOM 199 CD LYS A 14 -4.324 9.122 1.418 1.00 0.00 C ATOM 200 CE LYS A 14 -3.662 10.277 2.171 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.688 11.164 2.764 1.00 0.00 N ATOM 0 H LYS A 14 -5.908 6.434 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.545 8.063 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.013 8.793 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.084 7.864 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.881 9.909 -0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.445 10.393 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.194 8.772 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.631 8.283 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.015 9.884 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.029 10.847 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.222 11.943 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.289 11.553 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.275 10.620 3.428 1.00 0.00 H new ATOM 214 N PHE A 15 -2.440 6.447 -0.221 1.00 0.00 N ATOM 215 CA PHE A 15 -1.739 5.601 0.730 1.00 0.00 C ATOM 216 C PHE A 15 -1.076 6.439 1.825 1.00 0.00 C ATOM 217 O PHE A 15 -0.215 7.279 1.573 1.00 0.00 O ATOM 218 CB PHE A 15 -0.655 4.854 -0.050 1.00 0.00 C ATOM 219 CG PHE A 15 0.239 3.968 0.820 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.302 2.934 1.518 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.574 4.215 0.894 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.527 2.112 2.325 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.404 3.392 1.701 1.00 0.00 C ATOM 224 CZ PHE A 15 1.863 2.358 2.400 1.00 0.00 C ATOM 0 H PHE A 15 -1.834 6.975 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.441 4.918 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.130 4.236 -0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.032 5.580 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.362 2.738 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.003 5.036 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.097 1.291 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.465 3.587 1.760 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.494 1.733 3.014 1.00 0.00 H new ATOM 234 N PRO A 16 -1.505 6.189 3.064 1.00 0.00 N ATOM 235 CA PRO A 16 -1.015 6.861 4.248 1.00 0.00 C ATOM 236 C PRO A 16 0.271 6.197 4.718 1.00 0.00 C ATOM 237 O PRO A 16 0.197 5.208 5.446 1.00 0.00 O ATOM 238 CB PRO A 16 -2.127 6.694 5.282 1.00 0.00 C ATOM 239 CG PRO A 16 -2.826 5.447 4.872 1.00 0.00 C ATOM 240 CD PRO A 16 -2.516 5.209 3.396 1.00 0.00 C ATOM 0 HA PRO A 16 -0.785 7.912 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.723 6.610 6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.804 7.548 5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.490 4.603 5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.901 5.542 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.153 4.195 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.406 5.336 2.780 1.00 0.00 H new ATOM 248 N HIS A 17 1.406 6.739 4.302 1.00 0.00 N ATOM 249 CA HIS A 17 2.689 6.180 4.692 1.00 0.00 C ATOM 250 C HIS A 17 3.028 6.618 6.118 1.00 0.00 C ATOM 251 O HIS A 17 4.123 7.115 6.375 1.00 0.00 O ATOM 252 CB HIS A 17 3.775 6.556 3.682 1.00 0.00 C ATOM 253 CG HIS A 17 5.115 5.916 3.954 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.959 6.343 4.964 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.747 4.876 3.339 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.048 5.588 4.948 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.915 4.679 3.939 1.00 0.00 N ATOM 0 H HIS A 17 1.464 7.559 3.699 1.00 0.00 H new ATOM 0 HA HIS A 17 2.632 5.092 4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.443 6.270 2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.895 7.639 3.680 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.774 7.109 5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.362 4.308 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.892 5.677 5.616 1.00 0.00 H new ATOM 265 N LYS A 18 2.067 6.419 7.008 1.00 0.00 N ATOM 266 CA LYS A 18 2.249 6.787 8.402 1.00 0.00 C ATOM 267 C LYS A 18 1.638 5.706 9.295 1.00 0.00 C ATOM 268 O LYS A 18 2.357 4.986 9.986 1.00 0.00 O ATOM 269 CB LYS A 18 1.693 8.189 8.663 1.00 0.00 C ATOM 270 CG LYS A 18 1.473 8.421 10.159 1.00 0.00 C ATOM 271 CD LYS A 18 2.801 8.673 10.876 1.00 0.00 C ATOM 272 CE LYS A 18 2.834 7.969 12.233 1.00 0.00 C ATOM 273 NZ LYS A 18 4.153 8.149 12.879 1.00 0.00 N ATOM 0 H LYS A 18 1.159 6.007 6.791 1.00 0.00 H new ATOM 0 HA LYS A 18 3.310 6.840 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.384 8.937 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.751 8.316 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.810 9.273 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.978 7.554 10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.625 8.317 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.946 9.744 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.050 8.369 12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.628 6.907 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.169 7.636 13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.898 7.777 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.320 9.161 13.052 1.00 0.00 H new ATOM 286 N ALA A 19 0.316 5.627 9.253 1.00 0.00 N ATOM 287 CA ALA A 19 -0.401 4.646 10.050 1.00 0.00 C ATOM 288 C ALA A 19 0.169 3.254 9.771 1.00 0.00 C ATOM 289 O ALA A 19 0.029 2.346 10.589 1.00 0.00 O ATOM 290 CB ALA A 19 -1.898 4.735 9.745 1.00 0.00 C ATOM 0 H ALA A 19 -0.277 6.226 8.679 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.273 4.848 11.113 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.436 3.999 10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.260 5.734 9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.066 4.535 8.687 1.00 0.00 H new ATOM 296 N HIS A 20 0.800 3.129 8.613 1.00 0.00 N ATOM 297 CA HIS A 20 1.392 1.863 8.216 1.00 0.00 C ATOM 298 C HIS A 20 2.757 1.701 8.889 1.00 0.00 C ATOM 299 O HIS A 20 3.476 0.740 8.619 1.00 0.00 O ATOM 300 CB HIS A 20 1.466 1.752 6.692 1.00 0.00 C ATOM 301 CG HIS A 20 0.161 1.360 6.040 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.823 2.280 5.721 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.310 0.141 5.651 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.837 1.632 5.167 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.517 0.306 5.124 1.00 0.00 N ATOM 0 H HIS A 20 0.914 3.884 7.937 1.00 0.00 H new ATOM 0 HA HIS A 20 0.760 1.041 8.552 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.791 2.709 6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.227 1.018 6.428 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.775 3.286 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.211 -0.799 5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.756 2.075 4.812 1.00 0.00 H new ATOM 313 N GLN A 21 3.072 2.655 9.752 1.00 0.00 N ATOM 314 CA GLN A 21 4.337 2.630 10.466 1.00 0.00 C ATOM 315 C GLN A 21 4.155 1.997 11.847 1.00 0.00 C ATOM 316 O GLN A 21 4.850 1.043 12.193 1.00 0.00 O ATOM 317 CB GLN A 21 4.929 4.036 10.582 1.00 0.00 C ATOM 318 CG GLN A 21 5.327 4.578 9.207 1.00 0.00 C ATOM 319 CD GLN A 21 5.508 6.097 9.248 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.263 6.750 10.249 1.00 0.00 O ATOM 321 NE2 GLN A 21 5.950 6.620 8.108 1.00 0.00 N ATOM 0 H GLN A 21 2.473 3.450 9.973 1.00 0.00 H new ATOM 0 HA GLN A 21 5.040 2.021 9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.202 4.704 11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.801 4.015 11.235 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.254 4.106 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.562 4.319 8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.135 6.015 7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.104 7.626 8.034 1.00 0.00 H new ATOM 330 N LYS A 22 3.217 2.553 12.599 1.00 0.00 N ATOM 331 CA LYS A 22 2.935 2.055 13.934 1.00 0.00 C ATOM 332 C LYS A 22 2.322 0.656 13.833 1.00 0.00 C ATOM 333 O LYS A 22 2.469 -0.157 14.744 1.00 0.00 O ATOM 334 CB LYS A 22 2.068 3.052 14.706 1.00 0.00 C ATOM 335 CG LYS A 22 0.580 2.763 14.496 1.00 0.00 C ATOM 336 CD LYS A 22 0.011 1.943 15.655 1.00 0.00 C ATOM 337 CE LYS A 22 -1.411 2.391 15.998 1.00 0.00 C ATOM 338 NZ LYS A 22 -2.365 1.918 14.971 1.00 0.00 N ATOM 0 H LYS A 22 2.642 3.344 12.309 1.00 0.00 H new ATOM 0 HA LYS A 22 3.857 1.959 14.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.306 3.000 15.768 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.295 4.067 14.378 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.033 3.702 14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.440 2.222 13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.009 0.886 15.390 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.651 2.051 16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.696 2.000 16.975 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.450 3.478 16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.325 2.231 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.101 2.311 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.340 0.879 14.926 1.00 0.00 H new ATOM 351 N ALA A 23 1.647 0.420 12.717 1.00 0.00 N ATOM 352 CA ALA A 23 1.012 -0.866 12.486 1.00 0.00 C ATOM 353 C ALA A 23 2.072 -1.886 12.066 1.00 0.00 C ATOM 354 O ALA A 23 1.948 -3.073 12.362 1.00 0.00 O ATOM 355 CB ALA A 23 -0.093 -0.708 11.438 1.00 0.00 C ATOM 0 H ALA A 23 1.526 1.097 11.964 1.00 0.00 H new ATOM 0 HA ALA A 23 0.546 -1.234 13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.570 -1.673 11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.836 0.005 11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.339 -0.343 10.506 1.00 0.00 H new ATOM 361 N VAL A 24 3.090 -1.385 11.382 1.00 0.00 N ATOM 362 CA VAL A 24 4.171 -2.238 10.918 1.00 0.00 C ATOM 363 C VAL A 24 5.509 -1.536 11.159 1.00 0.00 C ATOM 364 O VAL A 24 6.270 -1.248 10.238 1.00 0.00 O ATOM 365 CB VAL A 24 3.949 -2.614 9.451 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.036 -3.573 8.961 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.556 -3.211 9.243 1.00 0.00 C ATOM 0 H VAL A 24 3.189 -0.400 11.138 1.00 0.00 H new ATOM 0 HA VAL A 24 4.188 -3.172 11.480 1.00 0.00 H new ATOM 0 HB VAL A 24 4.014 -1.702 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.855 -3.825 7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.012 -3.096 9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.017 -4.482 9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.424 -3.469 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.450 -4.108 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.800 -2.482 9.535 1.00 0.00 H new ATOM 377 N PRO A 25 5.780 -1.262 12.437 1.00 0.00 N ATOM 378 CA PRO A 25 6.986 -0.605 12.893 1.00 0.00 C ATOM 379 C PRO A 25 8.176 -1.104 12.085 1.00 0.00 C ATOM 380 O PRO A 25 9.146 -0.363 11.936 1.00 0.00 O ATOM 381 CB PRO A 25 7.117 -1.001 14.362 1.00 0.00 C ATOM 382 CG PRO A 25 5.638 -1.075 14.785 1.00 0.00 C ATOM 383 CD PRO A 25 4.907 -1.586 13.545 1.00 0.00 C ATOM 0 HA PRO A 25 6.951 0.478 12.772 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.629 -1.955 14.487 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.674 -0.263 14.939 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.501 -1.748 15.631 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.264 -0.098 15.091 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.728 -2.660 13.606 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.934 -1.107 13.435 1.00 0.00 H new ATOM 391 N ASP A 26 8.084 -2.329 11.588 1.00 0.00 N ATOM 392 CA ASP A 26 9.165 -2.901 10.803 1.00 0.00 C ATOM 393 C ASP A 26 9.089 -2.366 9.372 1.00 0.00 C ATOM 394 O ASP A 26 8.113 -2.612 8.664 1.00 0.00 O ATOM 395 CB ASP A 26 9.056 -4.426 10.745 1.00 0.00 C ATOM 396 CG ASP A 26 10.175 -5.125 9.970 1.00 0.00 C ATOM 397 OD1 ASP A 26 11.225 -4.529 9.688 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.933 -6.351 9.650 1.00 0.00 O ATOM 0 H ASP A 26 7.278 -2.941 11.714 1.00 0.00 H new ATOM 0 HA ASP A 26 10.108 -2.625 11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.043 -4.813 11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.101 -4.690 10.292 1.00 0.00 H new ATOM 404 N CYS A 27 10.131 -1.644 8.988 1.00 0.00 N ATOM 405 CA CYS A 27 10.194 -1.072 7.653 1.00 0.00 C ATOM 406 C CYS A 27 10.764 -2.128 6.705 1.00 0.00 C ATOM 407 O CYS A 27 10.622 -2.017 5.488 1.00 0.00 O ATOM 408 CB CYS A 27 11.015 0.219 7.629 1.00 0.00 C ATOM 409 SG CYS A 27 10.885 1.239 9.144 1.00 0.00 S ATOM 0 H CYS A 27 10.939 -1.442 9.577 1.00 0.00 H new ATOM 0 HA CYS A 27 9.192 -0.794 7.326 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.062 -0.036 7.468 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.698 0.819 6.776 1.00 0.00 H new ATOM 0 HG CYS A 27 11.620 2.303 9.015 1.00 0.00 H new ATOM 414 N LYS A 28 11.399 -3.129 7.297 1.00 0.00 N ATOM 415 CA LYS A 28 11.991 -4.204 6.520 1.00 0.00 C ATOM 416 C LYS A 28 10.883 -5.120 5.996 1.00 0.00 C ATOM 417 O LYS A 28 11.150 -6.057 5.246 1.00 0.00 O ATOM 418 CB LYS A 28 13.056 -4.935 7.341 1.00 0.00 C ATOM 419 CG LYS A 28 14.166 -3.977 7.777 1.00 0.00 C ATOM 420 CD LYS A 28 15.521 -4.687 7.810 1.00 0.00 C ATOM 421 CE LYS A 28 15.944 -5.126 6.407 1.00 0.00 C ATOM 422 NZ LYS A 28 16.504 -6.495 6.440 1.00 0.00 N ATOM 0 H LYS A 28 11.516 -3.218 8.306 1.00 0.00 H new ATOM 0 HA LYS A 28 12.511 -3.803 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.596 -5.388 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.482 -5.746 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.211 -3.131 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.938 -3.575 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.275 -4.020 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.464 -5.556 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.086 -5.094 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.686 -4.433 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.786 -6.778 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.335 -6.515 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.785 -7.156 6.798 1.00 0.00 H new ATOM 435 N LYS A 29 9.662 -4.816 6.411 1.00 0.00 N ATOM 436 CA LYS A 29 8.513 -5.599 5.993 1.00 0.00 C ATOM 437 C LYS A 29 8.274 -5.388 4.497 1.00 0.00 C ATOM 438 O LYS A 29 8.211 -6.350 3.733 1.00 0.00 O ATOM 439 CB LYS A 29 7.296 -5.272 6.862 1.00 0.00 C ATOM 440 CG LYS A 29 7.132 -6.298 7.985 1.00 0.00 C ATOM 441 CD LYS A 29 6.569 -7.615 7.446 1.00 0.00 C ATOM 442 CE LYS A 29 5.419 -8.117 8.321 1.00 0.00 C ATOM 443 NZ LYS A 29 4.998 -9.471 7.896 1.00 0.00 N ATOM 0 H LYS A 29 9.444 -4.037 7.033 1.00 0.00 H new ATOM 0 HA LYS A 29 8.704 -6.662 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.407 -4.275 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.398 -5.256 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.096 -6.478 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.467 -5.900 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.218 -7.474 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.359 -8.365 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.731 -8.138 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.576 -7.430 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.217 -9.797 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.681 -9.441 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.800 -10.127 7.983 1.00 0.00 H new ATOM 456 N CYS A 30 8.149 -4.124 4.122 1.00 0.00 N ATOM 457 CA CYS A 30 7.919 -3.774 2.731 1.00 0.00 C ATOM 458 C CYS A 30 9.269 -3.457 2.086 1.00 0.00 C ATOM 459 O CYS A 30 9.619 -4.029 1.055 1.00 0.00 O ATOM 460 CB CYS A 30 6.934 -2.611 2.595 1.00 0.00 C ATOM 461 SG CYS A 30 5.545 -2.828 3.766 1.00 0.00 S ATOM 0 H CYS A 30 8.203 -3.329 4.758 1.00 0.00 H new ATOM 0 HA CYS A 30 7.459 -4.616 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.443 -1.668 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.556 -2.562 1.574 1.00 0.00 H new ATOM 0 HG CYS A 30 4.716 -1.834 3.644 1.00 0.00 H new ATOM 466 N HIS A 31 9.992 -2.545 2.720 1.00 0.00 N ATOM 467 CA HIS A 31 11.297 -2.145 2.221 1.00 0.00 C ATOM 468 C HIS A 31 12.291 -3.293 2.403 1.00 0.00 C ATOM 469 O HIS A 31 12.613 -3.667 3.529 1.00 0.00 O ATOM 470 CB HIS A 31 11.760 -0.849 2.890 1.00 0.00 C ATOM 471 CG HIS A 31 10.860 0.335 2.625 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.667 0.862 1.360 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.102 1.086 3.474 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.830 1.884 1.456 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.482 2.022 2.767 1.00 0.00 N ATOM 0 H HIS A 31 9.699 -2.072 3.575 1.00 0.00 H new ATOM 0 HA HIS A 31 11.232 -1.933 1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.824 -1.010 3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.766 -0.612 2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.020 0.943 4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.484 2.500 0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.849 2.728 3.142 1.00 0.00 H new ATOM 483 N GLU A 32 12.748 -3.821 1.277 1.00 0.00 N ATOM 484 CA GLU A 32 13.699 -4.920 1.298 1.00 0.00 C ATOM 485 C GLU A 32 15.121 -4.395 1.089 1.00 0.00 C ATOM 486 O GLU A 32 16.035 -4.757 1.828 1.00 0.00 O ATOM 487 CB GLU A 32 13.343 -5.973 0.246 1.00 0.00 C ATOM 488 CG GLU A 32 13.367 -7.379 0.849 1.00 0.00 C ATOM 489 CD GLU A 32 14.597 -8.157 0.377 1.00 0.00 C ATOM 490 OE1 GLU A 32 15.731 -7.687 0.550 1.00 0.00 O ATOM 491 OE2 GLU A 32 14.343 -9.289 -0.187 1.00 0.00 O ATOM 0 H GLU A 32 12.478 -3.508 0.344 1.00 0.00 H new ATOM 0 HA GLU A 32 13.650 -5.399 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.354 -5.765 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.048 -5.917 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.370 -7.312 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.462 -7.916 0.565 1.00 0.00 H new ATOM 499 N LYS A 33 15.263 -3.550 0.078 1.00 0.00 N ATOM 500 CA LYS A 33 16.559 -2.973 -0.237 1.00 0.00 C ATOM 501 C LYS A 33 16.718 -1.649 0.514 1.00 0.00 C ATOM 502 O LYS A 33 17.403 -0.742 0.042 1.00 0.00 O ATOM 503 CB LYS A 33 16.734 -2.845 -1.752 1.00 0.00 C ATOM 504 CG LYS A 33 16.752 -4.222 -2.420 1.00 0.00 C ATOM 505 CD LYS A 33 17.954 -4.362 -3.355 1.00 0.00 C ATOM 506 CE LYS A 33 18.300 -5.835 -3.587 1.00 0.00 C ATOM 507 NZ LYS A 33 19.444 -5.958 -4.517 1.00 0.00 N ATOM 0 H LYS A 33 14.503 -3.251 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 33 17.361 -3.630 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.923 -2.246 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.663 -2.318 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.788 -5.000 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.830 -4.369 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.735 -3.882 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.814 -3.846 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.543 -6.312 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.435 -6.358 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.666 -6.963 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.199 -5.521 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.273 -5.476 -4.114 1.00 0.00 H new ATOM 520 N GLY A 34 16.075 -1.580 1.670 1.00 0.00 N ATOM 521 CA GLY A 34 16.137 -0.383 2.491 1.00 0.00 C ATOM 522 C GLY A 34 14.970 0.556 2.179 1.00 0.00 C ATOM 523 O GLY A 34 14.202 0.354 1.242 1.00 0.00 O ATOM 0 H GLY A 34 15.508 -2.334 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.115 -0.659 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.081 0.134 2.317 1.00 0.00 H new ATOM 527 N PRO A 35 14.853 1.603 3.000 1.00 0.00 N ATOM 528 CA PRO A 35 13.826 2.616 2.889 1.00 0.00 C ATOM 529 C PRO A 35 14.023 3.404 1.602 1.00 0.00 C ATOM 530 O PRO A 35 15.152 3.794 1.311 1.00 0.00 O ATOM 531 CB PRO A 35 14.022 3.508 4.113 1.00 0.00 C ATOM 532 CG PRO A 35 14.926 2.750 5.060 1.00 0.00 C ATOM 533 CD PRO A 35 15.739 1.871 4.112 1.00 0.00 C ATOM 0 HA PRO A 35 12.820 2.198 2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.469 4.461 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.066 3.732 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.563 3.421 5.637 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.357 2.156 5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.645 2.379 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.051 0.948 4.600 1.00 0.00 H new ATOM 541 N GLY A 36 12.941 3.620 0.867 1.00 0.00 N ATOM 542 CA GLY A 36 13.021 4.360 -0.380 1.00 0.00 C ATOM 543 C GLY A 36 11.999 3.840 -1.393 1.00 0.00 C ATOM 544 O GLY A 36 11.034 3.174 -1.020 1.00 0.00 O ATOM 0 H GLY A 36 12.005 3.295 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.844 5.419 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.025 4.274 -0.794 1.00 0.00 H new ATOM 548 N LYS A 37 12.245 4.163 -2.654 1.00 0.00 N ATOM 549 CA LYS A 37 11.358 3.736 -3.723 1.00 0.00 C ATOM 550 C LYS A 37 11.477 2.222 -3.905 1.00 0.00 C ATOM 551 O LYS A 37 12.530 1.642 -3.641 1.00 0.00 O ATOM 552 CB LYS A 37 11.635 4.532 -4.999 1.00 0.00 C ATOM 553 CG LYS A 37 10.863 5.853 -5.001 1.00 0.00 C ATOM 554 CD LYS A 37 11.798 7.036 -4.739 1.00 0.00 C ATOM 555 CE LYS A 37 11.859 7.966 -5.952 1.00 0.00 C ATOM 556 NZ LYS A 37 10.926 9.102 -5.781 1.00 0.00 N ATOM 0 H LYS A 37 13.046 4.716 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 37 10.320 3.945 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.703 4.731 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.352 3.940 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.364 5.985 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.085 5.824 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.452 7.592 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.798 6.669 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.875 8.339 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.605 7.412 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.980 9.724 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.956 8.742 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.186 9.640 -4.930 1.00 0.00 H new ATOM 569 N ILE A 38 10.384 1.624 -4.354 1.00 0.00 N ATOM 570 CA ILE A 38 10.352 0.188 -4.574 1.00 0.00 C ATOM 571 C ILE A 38 10.338 -0.093 -6.078 1.00 0.00 C ATOM 572 O ILE A 38 9.420 0.323 -6.782 1.00 0.00 O ATOM 573 CB ILE A 38 9.181 -0.444 -3.819 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.249 -0.116 -2.326 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.116 -1.952 -4.072 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.945 -0.495 -1.622 1.00 0.00 C ATOM 0 H ILE A 38 9.513 2.108 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 38 11.250 -0.279 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 38 8.256 -0.013 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.082 -0.651 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.443 0.948 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.275 -2.377 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.985 -2.137 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.042 -2.418 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.020 -0.252 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.118 0.060 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.767 -1.564 -1.737 1.00 0.00 H new ATOM 588 N GLU A 39 11.368 -0.797 -6.525 1.00 0.00 N ATOM 589 CA GLU A 39 11.485 -1.139 -7.933 1.00 0.00 C ATOM 590 C GLU A 39 10.697 -2.414 -8.237 1.00 0.00 C ATOM 591 O GLU A 39 10.816 -3.407 -7.521 1.00 0.00 O ATOM 592 CB GLU A 39 12.952 -1.290 -8.340 1.00 0.00 C ATOM 593 CG GLU A 39 13.661 -2.322 -7.460 1.00 0.00 C ATOM 594 CD GLU A 39 14.383 -1.644 -6.293 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.005 -0.588 -6.478 1.00 0.00 O ATOM 596 OE2 GLU A 39 14.279 -2.253 -5.160 1.00 0.00 O ATOM 0 H GLU A 39 12.128 -1.140 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 39 11.061 -0.325 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.014 -1.594 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.457 -0.328 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.935 -3.038 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.378 -2.884 -8.058 1.00 0.00 H new ATOM 604 N GLY A 40 9.910 -2.346 -9.301 1.00 0.00 N ATOM 605 CA GLY A 40 9.102 -3.483 -9.709 1.00 0.00 C ATOM 606 C GLY A 40 7.629 -3.263 -9.358 1.00 0.00 C ATOM 607 O GLY A 40 6.743 -3.623 -10.131 1.00 0.00 O ATOM 0 H GLY A 40 9.815 -1.521 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.204 -3.640 -10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.465 -4.386 -9.219 1.00 0.00 H new ATOM 611 N PHE A 41 7.413 -2.674 -8.191 1.00 0.00 N ATOM 612 CA PHE A 41 6.063 -2.402 -7.729 1.00 0.00 C ATOM 613 C PHE A 41 5.136 -2.081 -8.903 1.00 0.00 C ATOM 614 O PHE A 41 5.576 -1.545 -9.918 1.00 0.00 O ATOM 615 CB PHE A 41 6.142 -1.182 -6.808 1.00 0.00 C ATOM 616 CG PHE A 41 4.823 -0.840 -6.114 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.358 -1.631 -5.110 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.115 0.255 -6.500 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.134 -1.314 -4.465 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.891 0.573 -5.855 1.00 0.00 C ATOM 621 CZ PHE A 41 2.426 -0.219 -4.851 1.00 0.00 C ATOM 0 H PHE A 41 8.150 -2.378 -7.552 1.00 0.00 H new ATOM 0 HA PHE A 41 5.663 -3.275 -7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.904 -1.361 -6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.468 -0.320 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.920 -2.501 -4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.484 0.883 -7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.765 -1.942 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.329 1.443 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.494 0.022 -4.361 1.00 0.00 H new ATOM 631 N GLY A 42 3.868 -2.422 -8.724 1.00 0.00 N ATOM 632 CA GLY A 42 2.875 -2.177 -9.756 1.00 0.00 C ATOM 633 C GLY A 42 1.509 -2.731 -9.345 1.00 0.00 C ATOM 634 O GLY A 42 1.258 -2.960 -8.162 1.00 0.00 O ATOM 0 H GLY A 42 3.506 -2.866 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.796 -1.106 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.194 -2.641 -10.690 1.00 0.00 H new ATOM 638 N LYS A 43 0.662 -2.932 -10.344 1.00 0.00 N ATOM 639 CA LYS A 43 -0.672 -3.455 -10.101 1.00 0.00 C ATOM 640 C LYS A 43 -0.563 -4.807 -9.394 1.00 0.00 C ATOM 641 O LYS A 43 -0.757 -4.896 -8.182 1.00 0.00 O ATOM 642 CB LYS A 43 -1.473 -3.504 -11.403 1.00 0.00 C ATOM 643 CG LYS A 43 -2.972 -3.622 -11.120 1.00 0.00 C ATOM 644 CD LYS A 43 -3.634 -4.616 -12.076 1.00 0.00 C ATOM 645 CE LYS A 43 -4.809 -3.970 -12.813 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.221 -4.804 -13.964 1.00 0.00 N ATOM 0 H LYS A 43 0.874 -2.742 -11.324 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.227 -2.792 -9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.279 -2.605 -11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.145 -4.352 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.127 -3.944 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.443 -2.644 -11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.901 -4.975 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.984 -5.485 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.649 -3.843 -12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.526 -2.976 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.019 -4.351 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.423 -4.904 -14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.511 -5.744 -13.626 1.00 0.00 H new ATOM 659 N GLU A 44 -0.254 -5.827 -10.181 1.00 0.00 N ATOM 660 CA GLU A 44 -0.118 -7.171 -9.645 1.00 0.00 C ATOM 661 C GLU A 44 0.478 -7.123 -8.237 1.00 0.00 C ATOM 662 O GLU A 44 0.097 -7.909 -7.370 1.00 0.00 O ATOM 663 CB GLU A 44 0.730 -8.047 -10.570 1.00 0.00 C ATOM 664 CG GLU A 44 -0.086 -8.523 -11.774 1.00 0.00 C ATOM 665 CD GLU A 44 -1.264 -7.585 -12.043 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.367 -7.811 -11.524 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.003 -6.591 -12.823 1.00 0.00 O ATOM 0 H GLU A 44 -0.094 -5.750 -11.185 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.110 -7.619 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.598 -7.485 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.106 -8.908 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.554 -8.571 -12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.455 -9.533 -11.592 1.00 0.00 H new ATOM 675 N MET A 45 1.404 -6.194 -8.052 1.00 0.00 N ATOM 676 CA MET A 45 2.056 -6.033 -6.763 1.00 0.00 C ATOM 677 C MET A 45 1.087 -5.466 -5.725 1.00 0.00 C ATOM 678 O MET A 45 0.879 -6.067 -4.671 1.00 0.00 O ATOM 679 CB MET A 45 3.254 -5.092 -6.911 1.00 0.00 C ATOM 680 CG MET A 45 4.473 -5.635 -6.164 1.00 0.00 C ATOM 681 SD MET A 45 4.251 -5.433 -4.405 1.00 0.00 S ATOM 682 CE MET A 45 5.783 -6.136 -3.816 1.00 0.00 C ATOM 0 H MET A 45 1.719 -5.545 -8.773 1.00 0.00 H new ATOM 0 HA MET A 45 2.391 -7.012 -6.422 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.495 -4.968 -7.967 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.996 -4.106 -6.525 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.616 -6.689 -6.402 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.372 -5.110 -6.488 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.810 -6.090 -2.727 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.854 -7.175 -4.137 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.622 -5.573 -4.224 1.00 0.00 H new ATOM 692 N ALA A 46 0.518 -4.317 -6.057 1.00 0.00 N ATOM 693 CA ALA A 46 -0.425 -3.663 -5.167 1.00 0.00 C ATOM 694 C ALA A 46 -1.521 -4.655 -4.774 1.00 0.00 C ATOM 695 O ALA A 46 -1.788 -4.854 -3.589 1.00 0.00 O ATOM 696 CB ALA A 46 -0.987 -2.412 -5.846 1.00 0.00 C ATOM 0 H ALA A 46 0.692 -3.822 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 46 0.072 -3.341 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.695 -1.922 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.172 -1.726 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.495 -2.695 -6.768 1.00 0.00 H new ATOM 702 N HIS A 47 -2.127 -5.252 -5.790 1.00 0.00 N ATOM 703 CA HIS A 47 -3.189 -6.218 -5.566 1.00 0.00 C ATOM 704 C HIS A 47 -2.601 -7.494 -4.960 1.00 0.00 C ATOM 705 O HIS A 47 -3.249 -8.159 -4.153 1.00 0.00 O ATOM 706 CB HIS A 47 -3.968 -6.478 -6.856 1.00 0.00 C ATOM 707 CG HIS A 47 -4.546 -5.234 -7.486 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.725 -5.099 -8.852 1.00 0.00 N ATOM 709 CD2 HIS A 47 -4.983 -4.070 -6.924 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.247 -3.904 -9.090 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.405 -3.268 -7.893 1.00 0.00 N ATOM 0 H HIS A 47 -1.902 -5.085 -6.771 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.908 -5.816 -4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.308 -6.964 -7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.778 -7.176 -6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.985 -3.840 -5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.502 -3.504 -10.060 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.785 -2.330 -7.764 1.00 0.00 H new ATOM 719 N GLY A 48 -1.379 -7.799 -5.373 1.00 0.00 N ATOM 720 CA GLY A 48 -0.697 -8.984 -4.882 1.00 0.00 C ATOM 721 C GLY A 48 -0.239 -8.792 -3.435 1.00 0.00 C ATOM 722 O GLY A 48 -1.011 -8.342 -2.590 1.00 0.00 O ATOM 0 H GLY A 48 -0.844 -7.246 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.363 -9.844 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.164 -9.201 -5.514 1.00 0.00 H new ATOM 726 N LYS A 49 1.016 -9.143 -3.194 1.00 0.00 N ATOM 727 CA LYS A 49 1.586 -9.015 -1.863 1.00 0.00 C ATOM 728 C LYS A 49 2.178 -7.614 -1.699 1.00 0.00 C ATOM 729 O LYS A 49 3.211 -7.444 -1.055 1.00 0.00 O ATOM 730 CB LYS A 49 2.589 -10.140 -1.600 1.00 0.00 C ATOM 731 CG LYS A 49 1.884 -11.389 -1.065 1.00 0.00 C ATOM 732 CD LYS A 49 2.852 -12.571 -0.981 1.00 0.00 C ATOM 733 CE LYS A 49 2.114 -13.858 -0.605 1.00 0.00 C ATOM 734 NZ LYS A 49 2.772 -14.514 0.547 1.00 0.00 N ATOM 0 H LYS A 49 1.654 -9.516 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 49 0.811 -9.125 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.118 -10.383 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.337 -9.805 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.470 -11.183 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.047 -11.645 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.355 -12.703 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.625 -12.361 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.077 -13.631 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.097 -14.537 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.259 -15.386 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.754 -14.748 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.765 -13.870 1.364 1.00 0.00 H new ATOM 747 N GLY A 50 1.496 -6.645 -2.293 1.00 0.00 N ATOM 748 CA GLY A 50 1.941 -5.264 -2.220 1.00 0.00 C ATOM 749 C GLY A 50 1.059 -4.453 -1.268 1.00 0.00 C ATOM 750 O GLY A 50 1.563 -3.797 -0.358 1.00 0.00 O ATOM 0 H GLY A 50 0.639 -6.789 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.976 -5.229 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.916 -4.817 -3.214 1.00 0.00 H new ATOM 754 N CYS A 51 -0.241 -4.526 -1.510 1.00 0.00 N ATOM 755 CA CYS A 51 -1.197 -3.807 -0.685 1.00 0.00 C ATOM 756 C CYS A 51 -2.245 -4.803 -0.185 1.00 0.00 C ATOM 757 O CYS A 51 -2.121 -5.340 0.915 1.00 0.00 O ATOM 758 CB CYS A 51 -1.835 -2.641 -1.443 1.00 0.00 C ATOM 759 SG CYS A 51 -0.655 -1.371 -2.032 1.00 0.00 S ATOM 0 H CYS A 51 -0.655 -5.072 -2.266 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.683 -3.363 0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.378 -3.037 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.569 -2.162 -0.794 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.303 -0.435 -2.660 1.00 0.00 H new ATOM 764 N LYS A 52 -3.253 -5.020 -1.016 1.00 0.00 N ATOM 765 CA LYS A 52 -4.322 -5.943 -0.672 1.00 0.00 C ATOM 766 C LYS A 52 -3.725 -7.180 0.001 1.00 0.00 C ATOM 767 O LYS A 52 -4.176 -7.589 1.070 1.00 0.00 O ATOM 768 CB LYS A 52 -5.172 -6.262 -1.903 1.00 0.00 C ATOM 769 CG LYS A 52 -6.201 -5.160 -2.161 1.00 0.00 C ATOM 770 CD LYS A 52 -7.577 -5.754 -2.467 1.00 0.00 C ATOM 771 CE LYS A 52 -7.637 -6.287 -3.900 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.886 -5.850 -4.563 1.00 0.00 N ATOM 0 H LYS A 52 -3.353 -4.573 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.003 -5.486 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.528 -6.374 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.682 -7.214 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.268 -4.509 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.874 -4.541 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.793 -6.560 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.345 -4.994 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.775 -5.930 -4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.584 -7.376 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.155 -6.544 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.646 -5.775 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.736 -4.923 -5.010 1.00 0.00 H new ATOM 785 N GLY A 53 -2.719 -7.742 -0.652 1.00 0.00 N ATOM 786 CA GLY A 53 -2.055 -8.925 -0.131 1.00 0.00 C ATOM 787 C GLY A 53 -2.075 -8.935 1.399 1.00 0.00 C ATOM 788 O GLY A 53 -2.774 -9.743 2.009 1.00 0.00 O ATOM 0 H GLY A 53 -2.347 -7.400 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.548 -9.820 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.025 -8.954 -0.485 1.00 0.00 H new ATOM 792 N CYS A 54 -1.301 -8.027 1.976 1.00 0.00 N ATOM 793 CA CYS A 54 -1.222 -7.922 3.422 1.00 0.00 C ATOM 794 C CYS A 54 -2.641 -7.759 3.971 1.00 0.00 C ATOM 795 O CYS A 54 -3.024 -8.438 4.922 1.00 0.00 O ATOM 796 CB CYS A 54 -0.307 -6.775 3.857 1.00 0.00 C ATOM 797 SG CYS A 54 -0.086 -6.804 5.673 1.00 0.00 S ATOM 0 H CYS A 54 -0.723 -7.358 1.467 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.778 -8.830 3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.661 -6.864 3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.735 -5.821 3.550 1.00 0.00 H new ATOM 0 HG CYS A 54 0.694 -5.827 6.031 1.00 0.00 H new ATOM 802 N HIS A 55 -3.382 -6.855 3.348 1.00 0.00 N ATOM 803 CA HIS A 55 -4.750 -6.594 3.761 1.00 0.00 C ATOM 804 C HIS A 55 -5.513 -7.916 3.873 1.00 0.00 C ATOM 805 O HIS A 55 -5.833 -8.360 4.975 1.00 0.00 O ATOM 806 CB HIS A 55 -5.424 -5.599 2.814 1.00 0.00 C ATOM 807 CG HIS A 55 -4.905 -4.187 2.937 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.424 -3.131 2.208 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.911 -3.667 3.712 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.764 -2.031 2.536 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.826 -2.365 3.468 1.00 0.00 N ATOM 0 H HIS A 55 -3.060 -6.294 2.559 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.753 -6.127 4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.285 -5.938 1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.497 -5.599 3.007 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.186 -3.190 1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.297 -4.221 4.407 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.938 -1.043 2.136 1.00 0.00 H new ATOM 819 N GLU A 56 -5.782 -8.507 2.718 1.00 0.00 N ATOM 820 CA GLU A 56 -6.501 -9.769 2.673 1.00 0.00 C ATOM 821 C GLU A 56 -5.766 -10.828 3.497 1.00 0.00 C ATOM 822 O GLU A 56 -6.374 -11.794 3.956 1.00 0.00 O ATOM 823 CB GLU A 56 -6.697 -10.236 1.230 1.00 0.00 C ATOM 824 CG GLU A 56 -5.545 -9.767 0.339 1.00 0.00 C ATOM 825 CD GLU A 56 -5.369 -10.694 -0.865 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.897 -11.830 -0.709 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.744 -10.198 -1.995 1.00 0.00 O ATOM 0 H GLU A 56 -5.515 -8.135 1.806 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.489 -9.618 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.763 -11.324 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.640 -9.849 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.738 -8.751 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.622 -9.738 0.918 1.00 0.00 H new ATOM 835 N GLU A 57 -4.469 -10.611 3.659 1.00 0.00 N ATOM 836 CA GLU A 57 -3.645 -11.535 4.420 1.00 0.00 C ATOM 837 C GLU A 57 -4.010 -11.473 5.905 1.00 0.00 C ATOM 838 O GLU A 57 -4.365 -12.487 6.504 1.00 0.00 O ATOM 839 CB GLU A 57 -2.158 -11.246 4.208 1.00 0.00 C ATOM 840 CG GLU A 57 -1.291 -12.208 5.024 1.00 0.00 C ATOM 841 CD GLU A 57 0.075 -11.589 5.329 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.247 -10.953 6.379 1.00 0.00 O ATOM 843 OE2 GLU A 57 0.977 -11.790 4.429 1.00 0.00 O ATOM 0 H GLU A 57 -3.968 -9.809 3.276 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.840 -12.545 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.913 -11.338 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.939 -10.218 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.797 -12.458 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.158 -13.139 4.474 1.00 0.00 H new ATOM 851 N MET A 58 -3.910 -10.272 6.456 1.00 0.00 N ATOM 852 CA MET A 58 -4.225 -10.064 7.859 1.00 0.00 C ATOM 853 C MET A 58 -5.735 -9.947 8.071 1.00 0.00 C ATOM 854 O MET A 58 -6.210 -9.955 9.205 1.00 0.00 O ATOM 855 CB MET A 58 -3.539 -8.789 8.353 1.00 0.00 C ATOM 856 CG MET A 58 -2.016 -8.922 8.282 1.00 0.00 C ATOM 857 SD MET A 58 -1.361 -9.307 9.897 1.00 0.00 S ATOM 858 CE MET A 58 -1.641 -7.750 10.724 1.00 0.00 C ATOM 0 H MET A 58 -3.615 -9.433 5.956 1.00 0.00 H new ATOM 0 HA MET A 58 -3.864 -10.923 8.424 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.862 -7.941 7.749 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.842 -8.583 9.380 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.744 -9.705 7.574 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.578 -7.994 7.915 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.899 -7.618 11.512 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.555 -6.935 10.005 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.639 -7.745 11.161 1.00 0.00 H new ATOM 868 N LYS A 59 -6.450 -9.840 6.960 1.00 0.00 N ATOM 869 CA LYS A 59 -7.897 -9.721 7.009 1.00 0.00 C ATOM 870 C LYS A 59 -8.273 -8.322 7.502 1.00 0.00 C ATOM 871 O LYS A 59 -9.409 -8.089 7.911 1.00 0.00 O ATOM 872 CB LYS A 59 -8.499 -10.851 7.846 1.00 0.00 C ATOM 873 CG LYS A 59 -9.199 -11.880 6.957 1.00 0.00 C ATOM 874 CD LYS A 59 -10.400 -11.259 6.240 1.00 0.00 C ATOM 875 CE LYS A 59 -11.714 -11.826 6.780 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.616 -10.732 7.204 1.00 0.00 N ATOM 0 H LYS A 59 -6.053 -9.833 6.020 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.323 -9.833 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.714 -11.339 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.211 -10.439 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.495 -12.270 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.529 -12.724 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.386 -10.177 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.329 -11.452 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.200 -12.428 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.512 -12.486 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.503 -11.135 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.157 -10.174 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.823 -10.118 6.391 1.00 0.00 H new ATOM 889 N LYS A 60 -7.296 -7.428 7.447 1.00 0.00 N ATOM 890 CA LYS A 60 -7.510 -6.059 7.883 1.00 0.00 C ATOM 891 C LYS A 60 -7.149 -5.103 6.744 1.00 0.00 C ATOM 892 O LYS A 60 -6.214 -5.360 5.986 1.00 0.00 O ATOM 893 CB LYS A 60 -6.748 -5.784 9.181 1.00 0.00 C ATOM 894 CG LYS A 60 -7.172 -6.759 10.282 1.00 0.00 C ATOM 895 CD LYS A 60 -7.151 -6.080 11.653 1.00 0.00 C ATOM 896 CE LYS A 60 -8.515 -6.186 12.338 1.00 0.00 C ATOM 897 NZ LYS A 60 -8.886 -4.894 12.957 1.00 0.00 N ATOM 0 H LYS A 60 -6.355 -7.625 7.107 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.562 -5.894 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.676 -5.873 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.933 -4.760 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.174 -7.135 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.503 -7.620 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.388 -6.542 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.878 -5.031 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.272 -6.478 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.487 -6.966 13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.814 -4.984 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.172 -4.631 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.933 -4.158 12.223 1.00 0.00 H new ATOM 910 N GLY A 61 -7.908 -4.021 6.659 1.00 0.00 N ATOM 911 CA GLY A 61 -7.679 -3.025 5.625 1.00 0.00 C ATOM 912 C GLY A 61 -8.660 -3.204 4.465 1.00 0.00 C ATOM 913 O GLY A 61 -9.345 -4.218 4.339 1.00 0.00 O ATOM 0 H GLY A 61 -8.682 -3.812 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.788 -2.026 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.656 -3.106 5.257 1.00 0.00 H new ATOM 917 N PRO A 62 -8.713 -2.182 3.608 1.00 0.00 N ATOM 918 CA PRO A 62 -9.568 -2.139 2.441 1.00 0.00 C ATOM 919 C PRO A 62 -9.103 -3.177 1.429 1.00 0.00 C ATOM 920 O PRO A 62 -7.944 -3.130 1.020 1.00 0.00 O ATOM 921 CB PRO A 62 -9.406 -0.725 1.888 1.00 0.00 C ATOM 922 CG PRO A 62 -8.078 -0.270 2.380 1.00 0.00 C ATOM 923 CD PRO A 62 -7.923 -0.976 3.725 1.00 0.00 C ATOM 0 HA PRO A 62 -10.610 -2.362 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.446 -0.720 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.203 -0.070 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.280 -0.545 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.043 0.814 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.878 -1.207 3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.278 -0.349 4.543 1.00 0.00 H new ATOM 931 N THR A 63 -9.996 -4.080 1.051 1.00 0.00 N ATOM 932 CA THR A 63 -9.653 -5.115 0.091 1.00 0.00 C ATOM 933 C THR A 63 -10.598 -5.061 -1.112 1.00 0.00 C ATOM 934 O THR A 63 -10.385 -5.756 -2.104 1.00 0.00 O ATOM 935 CB THR A 63 -9.673 -6.460 0.819 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.013 -6.581 1.289 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.829 -6.448 2.095 1.00 0.00 C ATOM 0 H THR A 63 -10.957 -4.116 1.392 1.00 0.00 H new ATOM 0 HA THR A 63 -8.653 -4.963 -0.314 1.00 0.00 H new ATOM 0 HB THR A 63 -9.308 -7.240 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.115 -7.427 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.878 -7.427 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.794 -6.218 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.214 -5.691 2.779 1.00 0.00 H new ATOM 945 N LYS A 64 -11.621 -4.228 -0.983 1.00 0.00 N ATOM 946 CA LYS A 64 -12.599 -4.075 -2.047 1.00 0.00 C ATOM 947 C LYS A 64 -12.224 -2.866 -2.907 1.00 0.00 C ATOM 948 O LYS A 64 -11.526 -1.964 -2.446 1.00 0.00 O ATOM 949 CB LYS A 64 -14.013 -4.003 -1.468 1.00 0.00 C ATOM 950 CG LYS A 64 -14.220 -5.072 -0.393 1.00 0.00 C ATOM 951 CD LYS A 64 -14.354 -4.436 0.993 1.00 0.00 C ATOM 952 CE LYS A 64 -15.824 -4.222 1.358 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.024 -2.874 1.935 1.00 0.00 N ATOM 0 H LYS A 64 -11.793 -3.653 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.591 -4.947 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.185 -3.015 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.744 -4.138 -2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.115 -5.652 -0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.380 -5.767 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.880 -5.075 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.828 -3.481 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.446 -4.340 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.141 -4.981 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.027 -2.745 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.445 -2.774 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.740 -2.154 1.241 1.00 0.00 H new ATOM 966 N CYS A 65 -12.705 -2.886 -4.141 1.00 0.00 N ATOM 967 CA CYS A 65 -12.430 -1.803 -5.070 1.00 0.00 C ATOM 968 C CYS A 65 -13.199 -0.565 -4.605 1.00 0.00 C ATOM 969 O CYS A 65 -14.190 -0.679 -3.885 1.00 0.00 O ATOM 970 CB CYS A 65 -12.783 -2.187 -6.508 1.00 0.00 C ATOM 971 SG CYS A 65 -12.698 -3.980 -6.866 1.00 0.00 S ATOM 0 H CYS A 65 -13.284 -3.636 -4.520 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.362 -1.586 -5.074 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.791 -1.835 -6.726 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.108 -1.663 -7.185 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.018 -4.190 -8.108 1.00 0.00 H new ATOM 976 N GLY A 66 -12.714 0.590 -5.036 1.00 0.00 N ATOM 977 CA GLY A 66 -13.344 1.849 -4.674 1.00 0.00 C ATOM 978 C GLY A 66 -12.776 2.387 -3.359 1.00 0.00 C ATOM 979 O GLY A 66 -12.652 3.598 -3.182 1.00 0.00 O ATOM 0 H GLY A 66 -11.892 0.681 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.188 2.580 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.420 1.707 -4.579 1.00 0.00 H new ATOM 983 N GLU A 67 -12.444 1.461 -2.471 1.00 0.00 N ATOM 984 CA GLU A 67 -11.892 1.828 -1.178 1.00 0.00 C ATOM 985 C GLU A 67 -10.454 2.326 -1.337 1.00 0.00 C ATOM 986 O GLU A 67 -9.936 3.026 -0.469 1.00 0.00 O ATOM 987 CB GLU A 67 -11.961 0.653 -0.200 1.00 0.00 C ATOM 988 CG GLU A 67 -12.504 1.102 1.158 1.00 0.00 C ATOM 989 CD GLU A 67 -12.546 -0.066 2.145 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.769 -1.215 1.736 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.337 0.253 3.378 1.00 0.00 O ATOM 0 H GLU A 67 -12.547 0.457 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.492 2.638 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.599 -0.129 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.968 0.221 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.878 1.899 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.505 1.515 1.035 1.00 0.00 H new ATOM 999 N CYS A 68 -9.850 1.944 -2.453 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.482 2.343 -2.737 1.00 0.00 C ATOM 1001 C CYS A 68 -8.502 3.332 -3.904 1.00 0.00 C ATOM 1002 O CYS A 68 -7.882 4.392 -3.836 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.589 1.135 -3.027 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.463 0.835 -1.615 1.00 0.00 S ATOM 0 H CYS A 68 -10.283 1.363 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.052 2.827 -1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.204 0.253 -3.206 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.010 1.310 -3.934 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.711 -0.194 -1.871 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.221 2.949 -4.949 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.330 3.788 -6.130 1.00 0.00 C ATOM 1011 C HIS A 69 -10.497 4.763 -5.961 1.00 0.00 C ATOM 1012 O HIS A 69 -11.654 4.390 -6.146 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.449 2.935 -7.394 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.291 1.990 -7.609 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.031 2.421 -7.986 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.215 0.633 -7.495 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.241 1.363 -8.092 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -6.977 0.255 -7.787 1.00 0.00 N ATOM 0 H HIS A 69 -9.734 2.069 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.421 4.379 -6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.372 2.357 -7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.532 3.594 -8.258 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.757 3.389 -8.154 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.026 -0.023 -7.214 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.198 1.375 -8.371 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.152 5.994 -5.611 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.156 7.025 -5.415 1.00 0.00 C ATOM 1028 C LYS A 70 -11.089 8.024 -6.572 1.00 0.00 C ATOM 1029 O LYS A 70 -10.081 8.707 -6.749 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.000 7.670 -4.036 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.448 6.713 -2.929 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.389 7.413 -1.947 1.00 0.00 C ATOM 1033 CE LYS A 70 -13.785 6.790 -1.987 1.00 0.00 C ATOM 1034 NZ LYS A 70 -13.997 5.916 -0.811 1.00 0.00 N ATOM 0 H LYS A 70 -9.191 6.300 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.155 6.590 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.959 7.952 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.589 8.586 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.951 5.852 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.576 6.334 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.984 7.343 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.453 8.473 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.540 7.576 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.906 6.212 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.950 5.501 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.288 5.155 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.903 6.477 0.060 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.174 8.077 -7.330 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.251 8.981 -8.465 1.00 0.00 C ATOM 1049 C LYS A 71 -12.590 10.388 -7.969 1.00 0.00 C ATOM 1050 O LYS A 71 -11.811 11.321 -8.156 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.229 8.445 -9.511 1.00 0.00 C ATOM 1052 CG LYS A 71 -14.668 8.498 -8.994 1.00 0.00 C ATOM 1053 CD LYS A 71 -15.561 9.306 -9.939 1.00 0.00 C ATOM 1054 CE LYS A 71 -16.889 8.589 -10.185 1.00 0.00 C ATOM 1055 NZ LYS A 71 -18.019 9.541 -10.084 1.00 0.00 N ATOM 0 H LYS A 71 -13.007 7.508 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.286 9.044 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.146 9.031 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.968 7.418 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.060 7.486 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.685 8.946 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.749 10.292 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.046 9.461 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.882 8.127 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.016 7.786 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.913 9.038 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.034 9.962 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.905 10.292 -10.794 1.00 0.00 H new