USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=5 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+ 180:sc= 0 (180deg=0) 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= -2.04 K(o=-2,f=-2.9!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.986 K(o=0.99,f=-0.46) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.0431 (180deg=-0.299) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.954 (180deg=0.724) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0042) USER MOD Single : A 45 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 53 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.74) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) 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 2.453 1.424 -1.657 1.00 1.00 C ATOM 4 O MET A 1 3.625 1.715 -1.890 1.00 1.00 O ATOM 5 CB MET A 1 1.230 -0.643 -2.348 1.00 1.00 C ATOM 6 CG MET A 1 2.119 -1.250 -3.435 1.00 1.00 C ATOM 7 SD MET A 1 2.599 -2.907 -2.976 1.00 1.00 S ATOM 8 CE MET A 1 2.407 -3.732 -4.547 1.00 1.00 C ATOM 0 H1 MET A 1 1.079 -0.977 0.257 1.00 1.00 H new ATOM 0 H2 MET A 1 1.905 0.421 0.753 1.00 1.00 H new ATOM 0 H3 MET A 1 0.454 0.556 -0.118 1.00 1.00 H new ATOM 0 HA MET A 1 2.989 -0.572 -1.096 1.00 1.00 H new ATOM 0 HB2 MET A 1 0.594 -1.417 -1.919 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.570 0.104 -2.788 1.00 1.00 H new ATOM 0 HG2 MET A 1 1.585 -1.267 -4.385 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.006 -0.632 -3.578 1.00 1.00 H new ATOM 0 HE1 MET A 1 2.668 -4.785 -4.439 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.372 -3.647 -4.879 1.00 1.00 H new ATOM 0 HE3 MET A 1 3.063 -3.269 -5.284 1.00 1.00 H new ATOM 18 N GLN A 2 1.439 2.273 -1.734 1.00 1.00 N ATOM 19 CA GLN A 2 1.652 3.660 -2.114 1.00 1.00 C ATOM 20 C GLN A 2 2.700 4.304 -1.204 1.00 1.00 C ATOM 21 O GLN A 2 3.747 4.748 -1.674 1.00 1.00 O ATOM 22 CB GLN A 2 0.339 4.445 -2.080 1.00 1.00 C ATOM 23 CG GLN A 2 0.480 5.780 -2.815 1.00 1.00 C ATOM 24 CD GLN A 2 -0.029 6.937 -1.952 1.00 1.00 C ATOM 25 OE1 GLN A 2 -1.181 7.331 -2.014 1.00 1.00 O ATOM 26 NE2 GLN A 2 0.894 7.457 -1.147 1.00 1.00 N ATOM 0 H GLN A 2 0.468 2.028 -1.540 1.00 1.00 H new ATOM 0 HA GLN A 2 2.025 3.683 -3.138 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -0.454 3.855 -2.539 1.00 1.00 H new ATOM 0 HB3 GLN A 2 0.045 4.624 -1.046 1.00 1.00 H new ATOM 0 HG2 GLN A 2 1.525 5.948 -3.075 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -0.079 5.745 -3.750 1.00 1.00 H new ATOM 0 HE21 GLN A 2 1.841 7.078 -1.145 1.00 1.00 H new ATOM 0 HE22 GLN A 2 0.654 8.234 -0.531 1.00 1.00 H new ATOM 35 N LYS A 3 2.382 4.336 0.082 1.00 1.00 N ATOM 36 CA LYS A 3 3.284 4.918 1.061 1.00 1.00 C ATOM 37 C LYS A 3 4.534 4.045 1.180 1.00 1.00 C ATOM 38 O LYS A 3 4.469 2.832 0.989 1.00 1.00 O ATOM 39 CB LYS A 3 2.559 5.140 2.391 1.00 1.00 C ATOM 40 CG LYS A 3 3.146 6.336 3.143 1.00 1.00 C ATOM 41 CD LYS A 3 2.255 6.735 4.320 1.00 1.00 C ATOM 42 CE LYS A 3 1.954 8.235 4.297 1.00 1.00 C ATOM 43 NZ LYS A 3 0.851 8.528 3.355 1.00 1.00 N ATOM 0 H LYS A 3 1.513 3.968 0.468 1.00 1.00 H new ATOM 0 HA LYS A 3 3.615 5.904 0.736 1.00 1.00 H new ATOM 0 HB2 LYS A 3 1.498 5.307 2.207 1.00 1.00 H new ATOM 0 HB3 LYS A 3 2.639 4.244 3.007 1.00 1.00 H new ATOM 0 HG2 LYS A 3 4.144 6.088 3.505 1.00 1.00 H new ATOM 0 HG3 LYS A 3 3.255 7.180 2.462 1.00 1.00 H new ATOM 0 HD2 LYS A 3 1.322 6.173 4.281 1.00 1.00 H new ATOM 0 HD3 LYS A 3 2.746 6.473 5.257 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.685 8.573 5.298 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.847 8.787 4.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.660 9.550 3.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 1.121 8.223 2.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -0.004 8.017 3.652 1.00 1.00 H new ATOM 56 N GLY A 4 5.644 4.697 1.496 1.00 1.00 N ATOM 57 CA GLY A 4 6.908 3.995 1.642 1.00 1.00 C ATOM 58 C GLY A 4 6.713 2.659 2.362 1.00 1.00 C ATOM 59 O GLY A 4 6.756 1.600 1.737 1.00 1.00 O ATOM 0 H GLY A 4 5.694 5.703 1.655 1.00 1.00 H new ATOM 0 HA2 GLY A 4 7.348 3.822 0.660 1.00 1.00 H new ATOM 0 HA3 GLY A 4 7.610 4.614 2.201 1.00 1.00 H new ATOM 63 N ASN A 5 6.502 2.752 3.667 1.00 1.00 N ATOM 64 CA ASN A 5 6.301 1.564 4.479 1.00 1.00 C ATOM 65 C ASN A 5 6.034 1.980 5.927 1.00 1.00 C ATOM 66 O ASN A 5 6.914 2.526 6.592 1.00 1.00 O ATOM 67 CB ASN A 5 7.542 0.670 4.465 1.00 1.00 C ATOM 68 CG ASN A 5 7.386 -0.469 3.455 1.00 1.00 C ATOM 69 OD1 ASN A 5 7.900 -0.427 2.349 1.00 1.00 O ATOM 70 ND2 ASN A 5 6.651 -1.486 3.895 1.00 1.00 N ATOM 0 H ASN A 5 6.466 3.632 4.182 1.00 1.00 H new ATOM 0 HA ASN A 5 5.456 1.013 4.066 1.00 1.00 H new ATOM 0 HB2 ASN A 5 8.420 1.265 4.215 1.00 1.00 H new ATOM 0 HB3 ASN A 5 7.709 0.258 5.460 1.00 1.00 H new ATOM 0 HD21 ASN A 5 6.489 -2.295 3.295 1.00 1.00 H new ATOM 0 HD22 ASN A 5 6.250 -1.457 4.832 1.00 1.00 H new ATOM 77 N PHE A 6 4.817 1.706 6.373 1.00 1.00 N ATOM 78 CA PHE A 6 4.424 2.046 7.731 1.00 1.00 C ATOM 79 C PHE A 6 3.114 1.353 8.111 1.00 1.00 C ATOM 80 O PHE A 6 2.433 0.791 7.255 1.00 1.00 O ATOM 81 CB PHE A 6 4.217 3.561 7.771 1.00 1.00 C ATOM 82 CG PHE A 6 4.748 4.228 9.041 1.00 1.00 C ATOM 83 CD1 PHE A 6 6.014 3.971 9.466 1.00 1.00 C ATOM 84 CD2 PHE A 6 3.954 5.079 9.745 1.00 1.00 C ATOM 85 CE1 PHE A 6 6.507 4.590 10.644 1.00 1.00 C ATOM 86 CE2 PHE A 6 4.448 5.699 10.923 1.00 1.00 C ATOM 87 CZ PHE A 6 5.714 5.441 11.348 1.00 1.00 C ATOM 0 H PHE A 6 4.090 1.253 5.819 1.00 1.00 H new ATOM 0 HA PHE A 6 5.192 1.723 8.433 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.708 4.007 6.906 1.00 1.00 H new ATOM 0 HB3 PHE A 6 3.152 3.774 7.679 1.00 1.00 H new ATOM 0 HD1 PHE A 6 6.644 3.296 8.907 1.00 1.00 H new ATOM 0 HD2 PHE A 6 2.948 5.283 9.408 1.00 1.00 H new ATOM 0 HE1 PHE A 6 7.512 4.385 10.981 1.00 1.00 H new ATOM 0 HE2 PHE A 6 3.818 6.376 11.482 1.00 1.00 H new ATOM 0 HZ PHE A 6 6.089 5.912 12.244 1.00 1.00 H new ATOM 97 N ARG A 7 2.799 1.417 9.396 1.00 1.00 N ATOM 98 CA ARG A 7 1.583 0.804 9.901 1.00 1.00 C ATOM 99 C ARG A 7 0.393 1.176 9.014 1.00 1.00 C ATOM 100 O ARG A 7 -0.417 0.319 8.665 1.00 1.00 O ATOM 101 CB ARG A 7 1.297 1.246 11.337 1.00 1.00 C ATOM 102 CG ARG A 7 0.864 0.060 12.201 1.00 1.00 C ATOM 103 CD ARG A 7 -0.637 0.114 12.493 1.00 1.00 C ATOM 104 NE ARG A 7 -0.872 0.042 13.952 1.00 1.00 N ATOM 105 CZ ARG A 7 -1.963 0.545 14.569 1.00 1.00 C ATOM 106 NH1 ARG A 7 -2.929 1.162 13.856 1.00 1.00 N ATOM 107 NH2 ARG A 7 -2.069 0.424 15.879 1.00 1.00 N ATOM 0 H ARG A 7 3.366 1.885 10.103 1.00 1.00 H new ATOM 0 HA ARG A 7 1.727 -0.276 9.888 1.00 1.00 H new ATOM 0 HB2 ARG A 7 2.189 1.705 11.764 1.00 1.00 H new ATOM 0 HB3 ARG A 7 0.515 2.006 11.338 1.00 1.00 H new ATOM 0 HG2 ARG A 7 1.106 -0.873 11.692 1.00 1.00 H new ATOM 0 HG3 ARG A 7 1.421 0.065 13.138 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.061 1.035 12.093 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.143 -0.712 11.994 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.166 -0.416 14.528 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -2.838 1.251 12.844 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -3.750 1.539 14.329 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -1.334 -0.044 16.409 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -2.886 0.798 16.361 1.00 1.00 H new ATOM 120 N ASN A 8 0.326 2.455 8.675 1.00 1.00 N ATOM 121 CA ASN A 8 -0.751 2.951 7.835 1.00 1.00 C ATOM 122 C ASN A 8 -2.071 2.868 8.604 1.00 1.00 C ATOM 123 O ASN A 8 -2.635 1.786 8.760 1.00 1.00 O ATOM 124 CB ASN A 8 -0.890 2.111 6.564 1.00 1.00 C ATOM 125 CG ASN A 8 -0.511 2.924 5.325 1.00 1.00 C ATOM 126 OD1 ASN A 8 0.554 2.770 4.751 1.00 1.00 O ATOM 127 ND2 ASN A 8 -1.441 3.797 4.945 1.00 1.00 N ATOM 0 H ASN A 8 1.000 3.163 8.967 1.00 1.00 H new ATOM 0 HA ASN A 8 -0.519 3.981 7.563 1.00 1.00 H new ATOM 0 HB2 ASN A 8 -0.252 1.230 6.634 1.00 1.00 H new ATOM 0 HB3 ASN A 8 -1.916 1.755 6.470 1.00 1.00 H new ATOM 0 HD21 ASN A 8 -1.283 4.387 4.128 1.00 1.00 H new ATOM 0 HD22 ASN A 8 -2.312 3.876 5.470 1.00 1.00 H new ATOM 134 N GLN A 9 -2.525 4.025 9.063 1.00 1.00 N ATOM 135 CA GLN A 9 -3.769 4.096 9.812 1.00 1.00 C ATOM 136 C GLN A 9 -4.812 3.161 9.198 1.00 1.00 C ATOM 137 O GLN A 9 -5.630 2.584 9.912 1.00 1.00 O ATOM 138 CB GLN A 9 -4.289 5.534 9.874 1.00 1.00 C ATOM 139 CG GLN A 9 -3.975 6.287 8.580 1.00 1.00 C ATOM 140 CD GLN A 9 -2.720 7.149 8.739 1.00 1.00 C ATOM 141 OE1 GLN A 9 -2.602 7.959 9.643 1.00 1.00 O ATOM 142 NE2 GLN A 9 -1.792 6.929 7.811 1.00 1.00 N ATOM 0 H GLN A 9 -2.054 4.920 8.931 1.00 1.00 H new ATOM 0 HA GLN A 9 -3.575 3.770 10.834 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -5.366 5.528 10.043 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -3.836 6.052 10.719 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -3.832 5.576 7.767 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -4.821 6.917 8.307 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -1.955 6.235 7.081 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -0.918 7.454 7.830 1.00 1.00 H new ATOM 151 N ARG A 10 -4.750 3.041 7.880 1.00 1.00 N ATOM 152 CA ARG A 10 -5.680 2.186 7.161 1.00 1.00 C ATOM 153 C ARG A 10 -7.115 2.677 7.361 1.00 1.00 C ATOM 154 O ARG A 10 -7.523 2.975 8.483 1.00 1.00 O ATOM 155 CB ARG A 10 -5.574 0.736 7.636 1.00 1.00 C ATOM 156 CG ARG A 10 -4.413 0.016 6.946 1.00 1.00 C ATOM 157 CD ARG A 10 -4.829 -1.384 6.490 1.00 1.00 C ATOM 158 NE ARG A 10 -4.339 -2.396 7.452 1.00 1.00 N ATOM 159 CZ ARG A 10 -5.022 -2.792 8.547 1.00 1.00 C ATOM 160 NH1 ARG A 10 -6.231 -2.263 8.830 1.00 1.00 N ATOM 161 NH2 ARG A 10 -4.488 -3.704 9.339 1.00 1.00 N ATOM 0 H ARG A 10 -4.070 3.522 7.291 1.00 1.00 H new ATOM 0 HA ARG A 10 -5.421 2.230 6.103 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -5.430 0.713 8.716 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -6.507 0.212 7.427 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -4.079 0.598 6.087 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -3.568 -0.057 7.630 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -5.915 -1.442 6.410 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -4.425 -1.587 5.498 1.00 1.00 H new ATOM 0 HE ARG A 10 -3.428 -2.821 7.277 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -6.636 -1.558 8.214 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -6.740 -2.568 9.660 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -3.573 -4.098 9.119 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -4.990 -4.015 10.171 1.00 1.00 H new ATOM 174 N LYS A 11 -7.842 2.747 6.255 1.00 1.00 N ATOM 175 CA LYS A 11 -9.223 3.197 6.295 1.00 1.00 C ATOM 176 C LYS A 11 -9.256 4.712 6.502 1.00 1.00 C ATOM 177 O LYS A 11 -8.692 5.222 7.469 1.00 1.00 O ATOM 178 CB LYS A 11 -10.011 2.415 7.348 1.00 1.00 C ATOM 179 CG LYS A 11 -9.494 0.980 7.467 1.00 1.00 C ATOM 180 CD LYS A 11 -10.640 0.005 7.741 1.00 1.00 C ATOM 181 CE LYS A 11 -10.532 -0.586 9.148 1.00 1.00 C ATOM 182 NZ LYS A 11 -9.673 -1.791 9.140 1.00 1.00 N ATOM 0 H LYS A 11 -7.501 2.500 5.326 1.00 1.00 H new ATOM 0 HA LYS A 11 -9.717 2.994 5.345 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -9.931 2.915 8.313 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -11.068 2.404 7.082 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -8.983 0.696 6.547 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -8.760 0.920 8.271 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -11.594 0.520 7.631 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -10.624 -0.797 7.003 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.119 0.157 9.830 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -11.525 -0.842 9.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -9.611 -2.179 10.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -10.083 -2.505 8.505 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -8.721 -1.537 8.807 1.00 1.00 H new ATOM 195 N THR A 12 -9.921 5.390 5.578 1.00 1.00 N ATOM 196 CA THR A 12 -10.035 6.837 5.648 1.00 1.00 C ATOM 197 C THR A 12 -11.048 7.241 6.720 1.00 1.00 C ATOM 198 O THR A 12 -10.710 7.324 7.899 1.00 1.00 O ATOM 199 CB THR A 12 -10.390 7.350 4.251 1.00 1.00 C ATOM 200 OG1 THR A 12 -9.239 7.048 3.467 1.00 1.00 O ATOM 201 CG2 THR A 12 -10.488 8.876 4.196 1.00 1.00 C ATOM 0 H THR A 12 -10.386 4.964 4.777 1.00 1.00 H new ATOM 0 HA THR A 12 -9.093 7.295 5.949 1.00 1.00 H new ATOM 0 HB THR A 12 -11.337 6.913 3.934 1.00 1.00 H new ATOM 0 HG1 THR A 12 -9.384 7.346 2.545 1.00 1.00 H new ATOM 0 HG21 THR A 12 -10.742 9.188 3.183 1.00 1.00 H new ATOM 0 HG22 THR A 12 -11.261 9.216 4.885 1.00 1.00 H new ATOM 0 HG23 THR A 12 -9.531 9.313 4.481 1.00 1.00 H new ATOM 209 N VAL A 13 -12.271 7.483 6.271 1.00 1.00 N ATOM 210 CA VAL A 13 -13.337 7.877 7.178 1.00 1.00 C ATOM 211 C VAL A 13 -14.688 7.524 6.554 1.00 1.00 C ATOM 212 O VAL A 13 -14.747 6.808 5.555 1.00 1.00 O ATOM 213 CB VAL A 13 -13.207 9.362 7.523 1.00 1.00 C ATOM 214 CG1 VAL A 13 -11.891 9.643 8.250 1.00 1.00 C ATOM 215 CG2 VAL A 13 -13.337 10.229 6.270 1.00 1.00 C ATOM 0 H VAL A 13 -12.548 7.414 5.292 1.00 1.00 H new ATOM 0 HA VAL A 13 -13.261 7.330 8.118 1.00 1.00 H new ATOM 0 HB VAL A 13 -14.024 9.622 8.197 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.824 10.706 8.483 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -11.855 9.066 9.174 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.055 9.358 7.612 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.241 11.280 6.543 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -12.552 9.965 5.562 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.311 10.061 5.811 1.00 1.00 H new ATOM 225 N LYS A 14 -15.741 8.042 7.168 1.00 1.00 N ATOM 226 CA LYS A 14 -17.088 7.790 6.685 1.00 1.00 C ATOM 227 C LYS A 14 -17.502 8.914 5.733 1.00 1.00 C ATOM 228 O LYS A 14 -17.392 10.091 6.072 1.00 1.00 O ATOM 229 CB LYS A 14 -18.050 7.593 7.859 1.00 1.00 C ATOM 230 CG LYS A 14 -18.192 8.880 8.674 1.00 1.00 C ATOM 231 CD LYS A 14 -19.163 8.686 9.841 1.00 1.00 C ATOM 232 CE LYS A 14 -18.729 9.507 11.057 1.00 1.00 C ATOM 233 NZ LYS A 14 -17.943 8.672 11.993 1.00 1.00 N ATOM 0 H LYS A 14 -15.689 8.635 7.996 1.00 1.00 H new ATOM 0 HA LYS A 14 -17.121 6.861 6.116 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -19.027 7.285 7.486 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -17.687 6.790 8.501 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -17.217 9.183 9.054 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -18.547 9.685 8.031 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -20.167 8.983 9.537 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -19.210 7.630 10.108 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -18.133 10.360 10.733 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -19.607 9.906 11.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -17.657 9.245 12.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -18.524 7.872 12.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -17.096 8.312 11.509 1.00 1.00 H new ATOM 246 N CYS A 15 -17.970 8.511 4.561 1.00 1.00 N ATOM 247 CA CYS A 15 -18.401 9.469 3.558 1.00 1.00 C ATOM 248 C CYS A 15 -19.829 9.905 3.892 1.00 1.00 C ATOM 249 O CYS A 15 -20.756 9.098 3.843 1.00 1.00 O ATOM 250 CB CYS A 15 -18.296 8.894 2.144 1.00 1.00 C ATOM 251 SG CYS A 15 -18.897 10.118 0.924 1.00 1.00 S ATOM 0 H CYS A 15 -18.060 7.534 4.284 1.00 1.00 H new ATOM 0 HA CYS A 15 -17.743 10.338 3.576 1.00 1.00 H new ATOM 0 HB2 CYS A 15 -17.261 8.629 1.926 1.00 1.00 H new ATOM 0 HB3 CYS A 15 -18.882 7.978 2.071 1.00 1.00 H new ATOM 256 N PHE A 16 -19.962 11.181 4.225 1.00 1.00 N ATOM 257 CA PHE A 16 -21.261 11.734 4.567 1.00 1.00 C ATOM 258 C PHE A 16 -22.044 12.113 3.308 1.00 1.00 C ATOM 259 O PHE A 16 -23.097 12.745 3.395 1.00 1.00 O ATOM 260 CB PHE A 16 -21.007 12.995 5.394 1.00 1.00 C ATOM 261 CG PHE A 16 -20.112 12.769 6.615 1.00 1.00 C ATOM 262 CD1 PHE A 16 -20.633 12.226 7.748 1.00 1.00 C ATOM 263 CD2 PHE A 16 -18.797 13.111 6.567 1.00 1.00 C ATOM 264 CE1 PHE A 16 -19.803 12.016 8.881 1.00 1.00 C ATOM 265 CE2 PHE A 16 -17.967 12.901 7.700 1.00 1.00 C ATOM 266 CZ PHE A 16 -18.487 12.358 8.833 1.00 1.00 C ATOM 0 H PHE A 16 -19.191 11.848 4.265 1.00 1.00 H new ATOM 0 HA PHE A 16 -21.845 10.997 5.118 1.00 1.00 H new ATOM 0 HB2 PHE A 16 -20.549 13.750 4.755 1.00 1.00 H new ATOM 0 HB3 PHE A 16 -21.964 13.397 5.727 1.00 1.00 H new ATOM 0 HD1 PHE A 16 -21.678 11.955 7.786 1.00 1.00 H new ATOM 0 HD2 PHE A 16 -18.384 13.542 5.667 1.00 1.00 H new ATOM 0 HE1 PHE A 16 -20.216 11.585 9.781 1.00 1.00 H new ATOM 0 HE2 PHE A 16 -16.922 13.173 7.662 1.00 1.00 H new ATOM 0 HZ PHE A 16 -17.856 12.198 9.695 1.00 1.00 H new ATOM 276 N ASN A 17 -21.501 11.712 2.168 1.00 1.00 N ATOM 277 CA ASN A 17 -22.136 12.002 0.894 1.00 1.00 C ATOM 278 C ASN A 17 -22.979 10.800 0.464 1.00 1.00 C ATOM 279 O ASN A 17 -24.175 10.936 0.209 1.00 1.00 O ATOM 280 CB ASN A 17 -21.093 12.261 -0.195 1.00 1.00 C ATOM 281 CG ASN A 17 -21.686 13.088 -1.337 1.00 1.00 C ATOM 282 OD1 ASN A 17 -22.007 14.256 -1.190 1.00 1.00 O ATOM 283 ND2 ASN A 17 -21.812 12.420 -2.480 1.00 1.00 N ATOM 0 H ASN A 17 -20.628 11.189 2.100 1.00 1.00 H new ATOM 0 HA ASN A 17 -22.754 12.891 1.020 1.00 1.00 H new ATOM 0 HB2 ASN A 17 -20.238 12.785 0.233 1.00 1.00 H new ATOM 0 HB3 ASN A 17 -20.723 11.312 -0.583 1.00 1.00 H new ATOM 0 HD21 ASN A 17 -22.197 12.884 -3.302 1.00 1.00 H new ATOM 0 HD22 ASN A 17 -21.523 11.443 -2.534 1.00 1.00 H new ATOM 290 N CYS A 18 -22.323 9.651 0.398 1.00 1.00 N ATOM 291 CA CYS A 18 -22.998 8.426 0.003 1.00 1.00 C ATOM 292 C CYS A 18 -23.376 7.656 1.270 1.00 1.00 C ATOM 293 O CYS A 18 -24.398 6.972 1.303 1.00 1.00 O ATOM 294 CB CYS A 18 -22.136 7.584 -0.940 1.00 1.00 C ATOM 295 SG CYS A 18 -20.476 7.330 -0.212 1.00 1.00 S ATOM 0 H CYS A 18 -21.331 9.542 0.611 1.00 1.00 H new ATOM 0 HA CYS A 18 -23.901 8.670 -0.556 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -22.614 6.621 -1.121 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -22.046 8.082 -1.906 1.00 1.00 H new ATOM 300 N GLY A 19 -22.532 7.794 2.282 1.00 1.00 N ATOM 301 CA GLY A 19 -22.766 7.121 3.548 1.00 1.00 C ATOM 302 C GLY A 19 -21.876 5.883 3.683 1.00 1.00 C ATOM 303 O GLY A 19 -21.967 5.153 4.669 1.00 1.00 O ATOM 0 H GLY A 19 -21.685 8.362 2.251 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -22.568 7.807 4.371 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -23.814 6.830 3.621 1.00 1.00 H new ATOM 307 N LYS A 20 -21.038 5.684 2.677 1.00 1.00 N ATOM 308 CA LYS A 20 -20.133 4.547 2.670 1.00 1.00 C ATOM 309 C LYS A 20 -18.793 4.964 3.280 1.00 1.00 C ATOM 310 O LYS A 20 -18.428 6.138 3.242 1.00 1.00 O ATOM 311 CB LYS A 20 -20.012 3.967 1.260 1.00 1.00 C ATOM 312 CG LYS A 20 -20.467 2.506 1.227 1.00 1.00 C ATOM 313 CD LYS A 20 -21.017 2.134 -0.151 1.00 1.00 C ATOM 314 CE LYS A 20 -21.703 0.766 -0.116 1.00 1.00 C ATOM 315 NZ LYS A 20 -23.085 0.893 0.397 1.00 1.00 N ATOM 0 H LYS A 20 -20.966 6.291 1.860 1.00 1.00 H new ATOM 0 HA LYS A 20 -20.529 3.741 3.288 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -20.615 4.555 0.568 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -18.978 4.037 0.921 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -19.629 1.855 1.476 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -21.234 2.343 1.985 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -21.727 2.893 -0.480 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -20.206 2.120 -0.879 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -21.718 0.334 -1.117 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -21.135 0.084 0.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -23.536 -0.044 0.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -23.063 1.285 1.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -23.628 1.528 -0.222 1.00 1.00 H new ATOM 328 N GLU A 21 -18.097 3.979 3.829 1.00 1.00 N ATOM 329 CA GLU A 21 -16.806 4.228 4.446 1.00 1.00 C ATOM 330 C GLU A 21 -15.676 3.849 3.486 1.00 1.00 C ATOM 331 O GLU A 21 -15.817 2.920 2.692 1.00 1.00 O ATOM 332 CB GLU A 21 -16.676 3.473 5.770 1.00 1.00 C ATOM 333 CG GLU A 21 -16.237 2.026 5.536 1.00 1.00 C ATOM 334 CD GLU A 21 -16.158 1.257 6.856 1.00 1.00 C ATOM 335 OE1 GLU A 21 -16.857 1.605 7.819 1.00 1.00 O ATOM 336 OE2 GLU A 21 -15.335 0.263 6.859 1.00 1.00 O ATOM 0 H GLU A 21 -18.403 3.007 3.859 1.00 1.00 H new ATOM 0 HA GLU A 21 -16.729 5.293 4.664 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -15.952 3.977 6.411 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -17.631 3.487 6.296 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -16.940 1.533 4.865 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -15.264 2.012 5.044 1.00 1.00 H new ATOM 344 N GLY A 22 -14.581 4.587 3.590 1.00 1.00 N ATOM 345 CA GLY A 22 -13.428 4.340 2.741 1.00 1.00 C ATOM 346 C GLY A 22 -13.111 5.563 1.877 1.00 1.00 C ATOM 347 O GLY A 22 -12.274 5.492 0.979 1.00 1.00 O ATOM 0 H GLY A 22 -14.468 5.357 4.250 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -12.564 4.092 3.358 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -13.621 3.479 2.102 1.00 1.00 H new ATOM 351 N HIS A 23 -13.797 6.655 2.180 1.00 1.00 N ATOM 352 CA HIS A 23 -13.600 7.891 1.442 1.00 1.00 C ATOM 353 C HIS A 23 -14.433 9.006 2.076 1.00 1.00 C ATOM 354 O HIS A 23 -15.259 8.748 2.951 1.00 1.00 O ATOM 355 CB HIS A 23 -13.908 7.692 -0.044 1.00 1.00 C ATOM 356 CG HIS A 23 -15.381 7.568 -0.354 1.00 1.00 C ATOM 357 ND1 HIS A 23 -16.068 6.370 -0.258 1.00 1.00 N ATOM 358 CD2 HIS A 23 -16.289 8.502 -0.758 1.00 1.00 C ATOM 359 CE1 HIS A 23 -17.332 6.586 -0.593 1.00 1.00 C ATOM 360 NE2 HIS A 23 -17.466 7.907 -0.902 1.00 1.00 N ATOM 0 H HIS A 23 -14.490 6.710 2.926 1.00 1.00 H new ATOM 0 HA HIS A 23 -12.553 8.190 1.499 1.00 1.00 H new ATOM 0 HB2 HIS A 23 -13.498 8.532 -0.605 1.00 1.00 H new ATOM 0 HB3 HIS A 23 -13.397 6.795 -0.394 1.00 1.00 H new ATOM 0 HD1 HIS A 23 -15.669 5.474 0.023 1.00 1.00 H new ATOM 0 HD2 HIS A 23 -16.085 9.548 -0.931 1.00 1.00 H new ATOM 0 HE1 HIS A 23 -18.118 5.846 -0.617 1.00 1.00 H new ATOM 368 N ILE A 24 -14.188 10.222 1.611 1.00 1.00 N ATOM 369 CA ILE A 24 -14.905 11.378 2.122 1.00 1.00 C ATOM 370 C ILE A 24 -15.824 11.927 1.029 1.00 1.00 C ATOM 371 O ILE A 24 -15.682 11.574 -0.141 1.00 1.00 O ATOM 372 CB ILE A 24 -13.926 12.413 2.679 1.00 1.00 C ATOM 373 CG1 ILE A 24 -12.911 12.836 1.615 1.00 1.00 C ATOM 374 CG2 ILE A 24 -13.245 11.896 3.948 1.00 1.00 C ATOM 375 CD1 ILE A 24 -12.198 14.128 2.021 1.00 1.00 C ATOM 0 H ILE A 24 -13.503 10.432 0.885 1.00 1.00 H new ATOM 0 HA ILE A 24 -15.541 11.092 2.960 1.00 1.00 H new ATOM 0 HB ILE A 24 -14.491 13.303 2.957 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -12.178 12.042 1.470 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -13.418 12.980 0.661 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -12.554 12.651 4.324 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -14.000 11.686 4.706 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -12.695 10.983 3.720 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -11.482 14.407 1.248 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -12.931 14.926 2.141 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -11.672 13.973 2.963 1.00 1.00 H new ATOM 387 N ALA A 25 -16.746 12.781 1.449 1.00 1.00 N ATOM 388 CA ALA A 25 -17.688 13.382 0.520 1.00 1.00 C ATOM 389 C ALA A 25 -16.917 14.136 -0.565 1.00 1.00 C ATOM 390 O ALA A 25 -17.292 14.102 -1.736 1.00 1.00 O ATOM 391 CB ALA A 25 -18.653 14.288 1.286 1.00 1.00 C ATOM 0 H ALA A 25 -16.861 13.071 2.420 1.00 1.00 H new ATOM 0 HA ALA A 25 -18.284 12.614 0.027 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -19.360 14.739 0.589 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -19.197 13.699 2.024 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -18.091 15.073 1.792 1.00 1.00 H new ATOM 397 N LYS A 26 -15.853 14.800 -0.137 1.00 1.00 N ATOM 398 CA LYS A 26 -15.026 15.562 -1.057 1.00 1.00 C ATOM 399 C LYS A 26 -14.372 14.607 -2.058 1.00 1.00 C ATOM 400 O LYS A 26 -13.928 15.029 -3.125 1.00 1.00 O ATOM 401 CB LYS A 26 -14.025 16.426 -0.288 1.00 1.00 C ATOM 402 CG LYS A 26 -13.481 17.552 -1.170 1.00 1.00 C ATOM 403 CD LYS A 26 -14.293 18.835 -0.984 1.00 1.00 C ATOM 404 CE LYS A 26 -15.053 19.193 -2.263 1.00 1.00 C ATOM 405 NZ LYS A 26 -14.107 19.517 -3.355 1.00 1.00 N ATOM 0 H LYS A 26 -15.545 14.826 0.835 1.00 1.00 H new ATOM 0 HA LYS A 26 -15.637 16.258 -1.632 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -14.507 16.850 0.593 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -13.201 15.806 0.066 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -12.436 17.740 -0.923 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -13.511 17.247 -2.216 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -14.997 18.708 -0.162 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -13.628 19.654 -0.710 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -15.689 18.359 -2.560 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -15.709 20.044 -2.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -14.568 20.154 -4.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -13.266 19.983 -2.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -13.822 18.641 -3.838 1.00 1.00 H new ATOM 418 N ASN A 27 -14.334 13.338 -1.679 1.00 1.00 N ATOM 419 CA ASN A 27 -13.742 12.320 -2.530 1.00 1.00 C ATOM 420 C ASN A 27 -14.826 11.333 -2.967 1.00 1.00 C ATOM 421 O ASN A 27 -14.538 10.168 -3.238 1.00 1.00 O ATOM 422 CB ASN A 27 -12.662 11.536 -1.782 1.00 1.00 C ATOM 423 CG ASN A 27 -11.358 11.500 -2.581 1.00 1.00 C ATOM 424 OD1 ASN A 27 -11.079 10.572 -3.323 1.00 1.00 O ATOM 425 ND2 ASN A 27 -10.576 12.559 -2.389 1.00 1.00 N ATOM 0 H ASN A 27 -14.704 12.992 -0.794 1.00 1.00 H new ATOM 0 HA ASN A 27 -13.295 12.818 -3.390 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -12.484 11.993 -0.809 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -13.008 10.519 -1.598 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -9.683 12.629 -2.877 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -10.869 13.301 -1.754 1.00 1.00 H new ATOM 432 N CYS A 28 -16.051 11.835 -3.021 1.00 1.00 N ATOM 433 CA CYS A 28 -17.180 11.011 -3.420 1.00 1.00 C ATOM 434 C CYS A 28 -17.220 10.959 -4.949 1.00 1.00 C ATOM 435 O CYS A 28 -17.423 11.980 -5.603 1.00 1.00 O ATOM 436 CB CYS A 28 -18.494 11.530 -2.832 1.00 1.00 C ATOM 437 SG CYS A 28 -19.796 10.253 -2.987 1.00 1.00 S ATOM 0 H CYS A 28 -16.287 12.801 -2.795 1.00 1.00 H new ATOM 0 HA CYS A 28 -17.055 10.002 -3.026 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -18.354 11.793 -1.784 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -18.800 12.438 -3.351 1.00 1.00 H new ATOM 442 N ARG A 29 -17.023 9.758 -5.473 1.00 1.00 N ATOM 443 CA ARG A 29 -17.034 9.559 -6.912 1.00 1.00 C ATOM 444 C ARG A 29 -18.473 9.492 -7.428 1.00 1.00 C ATOM 445 O ARG A 29 -18.700 9.295 -8.620 1.00 1.00 O ATOM 446 CB ARG A 29 -16.302 8.271 -7.296 1.00 1.00 C ATOM 447 CG ARG A 29 -16.249 8.102 -8.815 1.00 1.00 C ATOM 448 CD ARG A 29 -15.138 7.132 -9.221 1.00 1.00 C ATOM 449 NE ARG A 29 -14.867 7.250 -10.671 1.00 1.00 N ATOM 450 CZ ARG A 29 -14.300 8.330 -11.250 1.00 1.00 C ATOM 451 NH1 ARG A 29 -13.938 9.396 -10.505 1.00 1.00 N ATOM 452 NH2 ARG A 29 -14.105 8.328 -12.556 1.00 1.00 N ATOM 0 H ARG A 29 -16.855 8.913 -4.927 1.00 1.00 H new ATOM 0 HA ARG A 29 -16.520 10.406 -7.367 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -15.289 8.290 -6.893 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -16.807 7.415 -6.849 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -17.209 7.733 -9.177 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -16.081 9.070 -9.286 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -14.232 7.347 -8.655 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -15.430 6.110 -8.979 1.00 1.00 H new ATOM 0 HE ARG A 29 -15.125 6.466 -11.271 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -14.092 9.390 -9.497 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -13.510 10.208 -10.950 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -14.382 7.519 -13.112 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -13.678 9.136 -13.009 1.00 1.00 H new ATOM 465 N ALA A 30 -19.407 9.659 -6.503 1.00 1.00 N ATOM 466 CA ALA A 30 -20.818 9.620 -6.850 1.00 1.00 C ATOM 467 C ALA A 30 -21.180 10.881 -7.637 1.00 1.00 C ATOM 468 O ALA A 30 -20.535 11.918 -7.488 1.00 1.00 O ATOM 469 CB ALA A 30 -21.652 9.468 -5.576 1.00 1.00 C ATOM 0 H ALA A 30 -19.215 9.821 -5.515 1.00 1.00 H new ATOM 0 HA ALA A 30 -21.034 8.761 -7.486 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -22.710 9.439 -5.835 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -21.377 8.543 -5.069 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -21.464 10.314 -4.915 1.00 1.00 H new ATOM 475 N PRO A 31 -22.239 10.747 -8.481 1.00 1.00 N ATOM 476 CA PRO A 31 -22.695 11.863 -9.292 1.00 1.00 C ATOM 477 C PRO A 31 -23.456 12.883 -8.443 1.00 1.00 C ATOM 478 O PRO A 31 -23.610 12.700 -7.237 1.00 1.00 O ATOM 479 CB PRO A 31 -23.553 11.235 -10.378 1.00 1.00 C ATOM 480 CG PRO A 31 -23.926 9.853 -9.867 1.00 1.00 C ATOM 481 CD PRO A 31 -23.026 9.535 -8.684 1.00 1.00 C ATOM 0 HA PRO A 31 -21.873 12.429 -9.730 1.00 1.00 H new ATOM 0 HB2 PRO A 31 -24.443 11.835 -10.568 1.00 1.00 H new ATOM 0 HB3 PRO A 31 -23.006 11.169 -11.319 1.00 1.00 H new ATOM 0 HG2 PRO A 31 -24.974 9.827 -9.568 1.00 1.00 H new ATOM 0 HG3 PRO A 31 -23.800 9.109 -10.653 1.00 1.00 H new ATOM 0 HD2 PRO A 31 -23.610 9.289 -7.797 1.00 1.00 H new ATOM 0 HD3 PRO A 31 -22.386 8.678 -8.892 1.00 1.00 H new ATOM 489 N ARG A 32 -23.912 13.935 -9.107 1.00 1.00 N ATOM 490 CA ARG A 32 -24.653 14.985 -8.429 1.00 1.00 C ATOM 491 C ARG A 32 -26.083 14.523 -8.141 1.00 1.00 C ATOM 492 O ARG A 32 -27.043 15.149 -8.587 1.00 1.00 O ATOM 493 CB ARG A 32 -24.697 16.261 -9.271 1.00 1.00 C ATOM 494 CG ARG A 32 -25.412 16.016 -10.601 1.00 1.00 C ATOM 495 CD ARG A 32 -24.522 16.408 -11.783 1.00 1.00 C ATOM 496 NE ARG A 32 -24.977 15.718 -13.010 1.00 1.00 N ATOM 497 CZ ARG A 32 -24.266 15.665 -14.156 1.00 1.00 C ATOM 498 NH1 ARG A 32 -23.058 16.262 -14.241 1.00 1.00 N ATOM 499 NH2 ARG A 32 -24.769 15.021 -15.193 1.00 1.00 N ATOM 0 H ARG A 32 -23.783 14.083 -10.108 1.00 1.00 H new ATOM 0 HA ARG A 32 -24.140 15.200 -7.492 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -25.210 17.048 -8.718 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -23.682 16.612 -9.459 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -25.687 14.964 -10.682 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -26.337 16.591 -10.632 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -24.553 17.488 -11.930 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -23.486 16.145 -11.571 1.00 1.00 H new ATOM 0 HE ARG A 32 -25.885 15.253 -12.989 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -22.676 16.758 -13.435 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -22.527 16.217 -15.111 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -25.682 14.573 -15.121 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -24.244 14.972 -16.066 1.00 1.00 H new ATOM 512 N LYS A 33 -26.180 13.431 -7.397 1.00 1.00 N ATOM 513 CA LYS A 33 -27.476 12.878 -7.044 1.00 1.00 C ATOM 514 C LYS A 33 -28.239 13.887 -6.182 1.00 1.00 C ATOM 515 O LYS A 33 -27.707 14.392 -5.194 1.00 1.00 O ATOM 516 CB LYS A 33 -27.313 11.507 -6.386 1.00 1.00 C ATOM 517 CG LYS A 33 -28.591 10.677 -6.523 1.00 1.00 C ATOM 518 CD LYS A 33 -28.541 9.439 -5.624 1.00 1.00 C ATOM 519 CE LYS A 33 -29.602 9.518 -4.524 1.00 1.00 C ATOM 520 NZ LYS A 33 -29.114 10.336 -3.392 1.00 1.00 N ATOM 0 H LYS A 33 -25.381 12.914 -7.029 1.00 1.00 H new ATOM 0 HA LYS A 33 -28.073 12.707 -7.940 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -26.479 10.976 -6.846 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -27.068 11.633 -5.331 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -29.455 11.287 -6.260 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -28.721 10.372 -7.561 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -28.700 8.543 -6.224 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -27.552 9.351 -5.175 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -30.518 9.951 -4.925 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -29.849 8.515 -4.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -29.846 10.380 -2.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -28.252 9.907 -3.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -28.901 11.298 -3.725 1.00 1.00 H new ATOM 533 N LYS A 34 -29.472 14.150 -6.587 1.00 1.00 N ATOM 534 CA LYS A 34 -30.313 15.089 -5.864 1.00 1.00 C ATOM 535 C LYS A 34 -31.782 14.803 -6.184 1.00 1.00 C ATOM 536 O LYS A 34 -32.508 14.261 -5.351 1.00 1.00 O ATOM 537 CB LYS A 34 -29.888 16.528 -6.162 1.00 1.00 C ATOM 538 CG LYS A 34 -28.790 16.986 -5.200 1.00 1.00 C ATOM 539 CD LYS A 34 -29.153 18.323 -4.550 1.00 1.00 C ATOM 540 CE LYS A 34 -28.391 18.519 -3.238 1.00 1.00 C ATOM 541 NZ LYS A 34 -28.676 19.855 -2.668 1.00 1.00 N ATOM 0 H LYS A 34 -29.909 13.729 -7.407 1.00 1.00 H new ATOM 0 HA LYS A 34 -30.190 14.961 -4.789 1.00 1.00 H new ATOM 0 HB2 LYS A 34 -29.530 16.600 -7.189 1.00 1.00 H new ATOM 0 HB3 LYS A 34 -30.750 17.190 -6.078 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -28.640 16.231 -4.428 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -27.847 17.083 -5.738 1.00 1.00 H new ATOM 0 HD2 LYS A 34 -28.922 19.139 -5.235 1.00 1.00 H new ATOM 0 HD3 LYS A 34 -30.226 18.360 -4.361 1.00 1.00 H new ATOM 0 HE2 LYS A 34 -28.676 17.745 -2.526 1.00 1.00 H new ATOM 0 HE3 LYS A 34 -27.320 18.412 -3.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 -28.151 19.972 -1.778 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 -28.382 20.590 -3.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 -29.696 19.943 -2.483 1.00 1.00 H new ATOM 554 N GLY A 35 -32.175 15.180 -7.391 1.00 1.00 N ATOM 555 CA GLY A 35 -33.544 14.970 -7.831 1.00 1.00 C ATOM 556 C GLY A 35 -33.627 14.916 -9.358 1.00 1.00 C ATOM 557 O GLY A 35 -32.776 15.471 -10.050 1.00 1.00 O ATOM 0 H GLY A 35 -31.570 15.630 -8.078 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -33.927 14.041 -7.409 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -34.177 15.774 -7.457 1.00 1.00 H new ATOM 561 N CYS A 36 -34.661 14.241 -9.838 1.00 1.00 N ATOM 562 CA CYS A 36 -34.867 14.106 -11.271 1.00 1.00 C ATOM 563 C CYS A 36 -34.930 15.508 -11.881 1.00 1.00 C ATOM 564 O CYS A 36 -35.844 16.276 -11.586 1.00 1.00 O ATOM 565 CB CYS A 36 -36.121 13.289 -11.588 1.00 1.00 C ATOM 566 SG CYS A 36 -36.171 12.887 -13.372 1.00 1.00 S ATOM 0 H CYS A 36 -35.365 13.782 -9.261 1.00 1.00 H new ATOM 0 HA CYS A 36 -34.035 13.556 -11.710 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -36.126 12.371 -11.000 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -37.012 13.851 -11.308 1.00 1.00 H new ATOM 571 N TRP A 37 -33.946 15.798 -12.720 1.00 1.00 N ATOM 572 CA TRP A 37 -33.878 17.093 -13.374 1.00 1.00 C ATOM 573 C TRP A 37 -34.626 16.991 -14.704 1.00 1.00 C ATOM 574 O TRP A 37 -34.499 17.865 -15.561 1.00 1.00 O ATOM 575 CB TRP A 37 -32.427 17.549 -13.538 1.00 1.00 C ATOM 576 CG TRP A 37 -32.171 18.987 -13.080 1.00 1.00 C ATOM 577 CD1 TRP A 37 -32.007 20.078 -13.840 1.00 1.00 C ATOM 578 CD2 TRP A 37 -32.055 19.447 -11.717 1.00 1.00 C ATOM 579 NE1 TRP A 37 -31.795 21.204 -13.070 1.00 1.00 N ATOM 580 CE2 TRP A 37 -31.825 20.808 -11.738 1.00 1.00 C ATOM 581 CE3 TRP A 37 -32.141 18.737 -10.506 1.00 1.00 C ATOM 582 CZ2 TRP A 37 -31.663 21.576 -10.578 1.00 1.00 C ATOM 583 CZ3 TRP A 37 -31.976 19.519 -9.357 1.00 1.00 C ATOM 584 CH2 TRP A 37 -31.745 20.890 -9.361 1.00 1.00 C ATOM 0 H TRP A 37 -33.189 15.158 -12.962 1.00 1.00 H new ATOM 0 HA TRP A 37 -34.356 17.859 -12.763 1.00 1.00 H new ATOM 0 HB2 TRP A 37 -31.780 16.878 -12.973 1.00 1.00 H new ATOM 0 HB3 TRP A 37 -32.144 17.457 -14.587 1.00 1.00 H new ATOM 0 HD1 TRP A 37 -32.037 20.077 -14.920 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -31.644 22.152 -13.415 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -32.320 17.673 -10.466 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -31.484 22.640 -10.620 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -32.032 19.022 -8.400 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -31.629 21.423 -8.429 1.00 1.00 H new ATOM 595 N LYS A 38 -35.390 15.917 -14.836 1.00 1.00 N ATOM 596 CA LYS A 38 -36.159 15.689 -16.048 1.00 1.00 C ATOM 597 C LYS A 38 -37.630 16.018 -15.783 1.00 1.00 C ATOM 598 O LYS A 38 -38.282 16.666 -16.601 1.00 1.00 O ATOM 599 CB LYS A 38 -35.931 14.268 -16.568 1.00 1.00 C ATOM 600 CG LYS A 38 -36.279 14.166 -18.054 1.00 1.00 C ATOM 601 CD LYS A 38 -37.641 13.499 -18.254 1.00 1.00 C ATOM 602 CE LYS A 38 -37.520 12.264 -19.149 1.00 1.00 C ATOM 603 NZ LYS A 38 -38.784 12.031 -19.884 1.00 1.00 N ATOM 0 H LYS A 38 -35.493 15.195 -14.123 1.00 1.00 H new ATOM 0 HA LYS A 38 -35.821 16.353 -16.844 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -34.890 13.983 -16.414 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -36.541 13.566 -15.999 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -36.289 15.161 -18.498 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -35.510 13.593 -18.573 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -38.055 13.213 -17.287 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -38.336 14.210 -18.701 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -36.701 12.398 -19.856 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -37.278 11.391 -18.543 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -38.593 11.458 -20.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -39.455 11.528 -19.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -39.193 12.944 -20.169 1.00 1.00 H new ATOM 616 N CYS A 39 -38.109 15.557 -14.637 1.00 1.00 N ATOM 617 CA CYS A 39 -39.491 15.794 -14.254 1.00 1.00 C ATOM 618 C CYS A 39 -39.505 16.816 -13.116 1.00 1.00 C ATOM 619 O CYS A 39 -40.485 17.538 -12.937 1.00 1.00 O ATOM 620 CB CYS A 39 -40.201 14.496 -13.866 1.00 1.00 C ATOM 621 SG CYS A 39 -39.205 13.583 -12.632 1.00 1.00 S ATOM 0 H CYS A 39 -37.565 15.021 -13.961 1.00 1.00 H new ATOM 0 HA CYS A 39 -40.044 16.192 -15.105 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -41.186 14.719 -13.457 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -40.355 13.878 -14.750 1.00 1.00 H new ATOM 626 N GLY A 40 -38.407 16.843 -12.374 1.00 1.00 N ATOM 627 CA GLY A 40 -38.282 17.764 -11.257 1.00 1.00 C ATOM 628 C GLY A 40 -38.661 17.084 -9.940 1.00 1.00 C ATOM 629 O GLY A 40 -38.894 17.755 -8.936 1.00 1.00 O ATOM 0 H GLY A 40 -37.597 16.242 -12.525 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -37.258 18.133 -11.198 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -38.924 18.630 -11.421 1.00 1.00 H new ATOM 633 N LYS A 41 -38.713 15.761 -9.988 1.00 1.00 N ATOM 634 CA LYS A 41 -39.061 14.983 -8.811 1.00 1.00 C ATOM 635 C LYS A 41 -37.884 14.991 -7.833 1.00 1.00 C ATOM 636 O LYS A 41 -36.770 14.613 -8.194 1.00 1.00 O ATOM 637 CB LYS A 41 -39.517 13.579 -9.212 1.00 1.00 C ATOM 638 CG LYS A 41 -41.007 13.565 -9.559 1.00 1.00 C ATOM 639 CD LYS A 41 -41.824 12.913 -8.441 1.00 1.00 C ATOM 640 CE LYS A 41 -42.950 12.052 -9.016 1.00 1.00 C ATOM 641 NZ LYS A 41 -43.974 12.902 -9.663 1.00 1.00 N ATOM 0 H LYS A 41 -38.520 15.208 -10.823 1.00 1.00 H new ATOM 0 HA LYS A 41 -39.909 15.433 -8.294 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -38.937 13.235 -10.069 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -39.323 12.883 -8.396 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -41.356 14.585 -9.722 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -41.162 13.022 -10.492 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -41.172 12.298 -7.820 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -42.244 13.684 -7.796 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -42.543 11.347 -9.741 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -43.407 11.463 -8.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -44.748 12.304 -10.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -44.350 13.580 -8.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -43.545 13.420 -10.456 1.00 1.00 H new ATOM 654 N GLU A 42 -38.171 15.425 -6.615 1.00 1.00 N ATOM 655 CA GLU A 42 -37.150 15.488 -5.583 1.00 1.00 C ATOM 656 C GLU A 42 -36.991 14.122 -4.911 1.00 1.00 C ATOM 657 O GLU A 42 -37.098 14.011 -3.691 1.00 1.00 O ATOM 658 CB GLU A 42 -37.476 16.571 -4.553 1.00 1.00 C ATOM 659 CG GLU A 42 -38.736 16.213 -3.761 1.00 1.00 C ATOM 660 CD GLU A 42 -39.446 17.473 -3.263 1.00 1.00 C ATOM 661 OE1 GLU A 42 -38.834 18.551 -3.211 1.00 1.00 O ATOM 662 OE2 GLU A 42 -40.679 17.306 -2.922 1.00 1.00 O ATOM 0 H GLU A 42 -39.096 15.737 -6.319 1.00 1.00 H new ATOM 0 HA GLU A 42 -36.203 15.754 -6.052 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -36.635 16.693 -3.870 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -37.618 17.527 -5.057 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -39.413 15.634 -4.389 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -38.470 15.582 -2.913 1.00 1.00 H new ATOM 670 N GLY A 43 -36.737 13.118 -5.736 1.00 1.00 N ATOM 671 CA GLY A 43 -36.563 11.764 -5.237 1.00 1.00 C ATOM 672 C GLY A 43 -35.744 10.920 -6.216 1.00 1.00 C ATOM 673 O GLY A 43 -34.565 10.661 -5.982 1.00 1.00 O ATOM 0 H GLY A 43 -36.647 13.214 -6.747 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -36.064 11.791 -4.268 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -37.538 11.302 -5.080 1.00 1.00 H new ATOM 677 N HIS A 44 -36.402 10.515 -7.292 1.00 1.00 N ATOM 678 CA HIS A 44 -35.750 9.705 -8.307 1.00 1.00 C ATOM 679 C HIS A 44 -34.885 10.598 -9.198 1.00 1.00 C ATOM 680 O HIS A 44 -35.007 11.822 -9.162 1.00 1.00 O ATOM 681 CB HIS A 44 -36.779 8.896 -9.100 1.00 1.00 C ATOM 682 CG HIS A 44 -37.564 9.711 -10.099 1.00 1.00 C ATOM 683 ND1 HIS A 44 -38.845 10.171 -9.850 1.00 1.00 N ATOM 684 CD2 HIS A 44 -37.236 10.143 -11.351 1.00 1.00 C ATOM 685 CE1 HIS A 44 -39.260 10.848 -10.911 1.00 1.00 C ATOM 686 NE2 HIS A 44 -38.261 10.829 -11.840 1.00 1.00 N ATOM 0 H HIS A 44 -37.380 10.733 -7.483 1.00 1.00 H new ATOM 0 HA HIS A 44 -35.092 8.979 -7.830 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -36.266 8.091 -9.626 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -37.474 8.428 -8.402 1.00 1.00 H new ATOM 0 HD1 HIS A 44 -39.379 10.015 -8.995 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -36.301 9.958 -11.858 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -40.220 11.330 -11.021 1.00 1.00 H new ATOM 694 N GLN A 45 -34.030 9.952 -9.977 1.00 1.00 N ATOM 695 CA GLN A 45 -33.145 10.672 -10.876 1.00 1.00 C ATOM 696 C GLN A 45 -33.434 10.287 -12.328 1.00 1.00 C ATOM 697 O GLN A 45 -34.282 9.436 -12.591 1.00 1.00 O ATOM 698 CB GLN A 45 -31.678 10.417 -10.523 1.00 1.00 C ATOM 699 CG GLN A 45 -31.463 8.964 -10.093 1.00 1.00 C ATOM 700 CD GLN A 45 -29.986 8.692 -9.800 1.00 1.00 C ATOM 701 OE1 GLN A 45 -29.551 8.645 -8.661 1.00 1.00 O ATOM 702 NE2 GLN A 45 -29.243 8.516 -10.888 1.00 1.00 N ATOM 0 H GLN A 45 -33.931 8.937 -10.004 1.00 1.00 H new ATOM 0 HA GLN A 45 -33.332 11.739 -10.760 1.00 1.00 H new ATOM 0 HB2 GLN A 45 -31.048 10.642 -11.384 1.00 1.00 H new ATOM 0 HB3 GLN A 45 -31.372 11.087 -9.720 1.00 1.00 H new ATOM 0 HG2 GLN A 45 -32.059 8.752 -9.205 1.00 1.00 H new ATOM 0 HG3 GLN A 45 -31.811 8.293 -10.878 1.00 1.00 H new ATOM 0 HE21 GLN A 45 -29.671 8.569 -11.812 1.00 1.00 H new ATOM 0 HE22 GLN A 45 -28.244 8.328 -10.799 1.00 1.00 H new ATOM 711 N MET A 46 -32.713 10.933 -13.233 1.00 1.00 N ATOM 712 CA MET A 46 -32.882 10.668 -14.652 1.00 1.00 C ATOM 713 C MET A 46 -32.658 9.187 -14.964 1.00 1.00 C ATOM 714 O MET A 46 -33.407 8.591 -15.736 1.00 1.00 O ATOM 715 CB MET A 46 -31.889 11.515 -15.451 1.00 1.00 C ATOM 716 CG MET A 46 -32.612 12.605 -16.245 1.00 1.00 C ATOM 717 SD MET A 46 -31.423 13.682 -17.026 1.00 1.00 S ATOM 718 CE MET A 46 -31.333 12.927 -18.640 1.00 1.00 C ATOM 0 H MET A 46 -32.011 11.639 -13.011 1.00 1.00 H new ATOM 0 HA MET A 46 -33.903 10.928 -14.932 1.00 1.00 H new ATOM 0 HB2 MET A 46 -31.168 11.972 -14.773 1.00 1.00 H new ATOM 0 HB3 MET A 46 -31.327 10.876 -16.132 1.00 1.00 H new ATOM 0 HG2 MET A 46 -33.254 12.151 -17.000 1.00 1.00 H new ATOM 0 HG3 MET A 46 -33.257 13.182 -15.582 1.00 1.00 H new ATOM 0 HE1 MET A 46 -30.628 13.480 -19.261 1.00 1.00 H new ATOM 0 HE2 MET A 46 -30.997 11.895 -18.541 1.00 1.00 H new ATOM 0 HE3 MET A 46 -32.319 12.944 -19.105 1.00 1.00 H new ATOM 728 N LYS A 47 -31.622 8.636 -14.348 1.00 1.00 N ATOM 729 CA LYS A 47 -31.290 7.236 -14.550 1.00 1.00 C ATOM 730 C LYS A 47 -32.392 6.362 -13.948 1.00 1.00 C ATOM 731 O LYS A 47 -32.521 5.190 -14.298 1.00 1.00 O ATOM 732 CB LYS A 47 -29.895 6.932 -14.001 1.00 1.00 C ATOM 733 CG LYS A 47 -29.315 5.671 -14.646 1.00 1.00 C ATOM 734 CD LYS A 47 -27.793 5.628 -14.493 1.00 1.00 C ATOM 735 CE LYS A 47 -27.389 4.834 -13.249 1.00 1.00 C ATOM 736 NZ LYS A 47 -26.010 5.181 -12.838 1.00 1.00 N ATOM 0 H LYS A 47 -31.002 9.134 -13.709 1.00 1.00 H new ATOM 0 HA LYS A 47 -31.246 7.005 -15.614 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -29.234 7.778 -14.189 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -29.946 6.801 -12.920 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -29.756 4.787 -14.185 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -29.579 5.645 -15.703 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -27.348 5.175 -15.379 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -27.402 6.643 -14.424 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -28.082 5.046 -12.434 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -27.456 3.766 -13.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -25.752 4.633 -11.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -25.351 4.957 -13.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -25.957 6.197 -12.622 1.00 1.00 H new ATOM 749 N ASP A 48 -33.159 6.966 -13.052 1.00 1.00 N ATOM 750 CA ASP A 48 -34.245 6.258 -12.397 1.00 1.00 C ATOM 751 C ASP A 48 -35.578 6.890 -12.804 1.00 1.00 C ATOM 752 O ASP A 48 -36.601 6.655 -12.163 1.00 1.00 O ATOM 753 CB ASP A 48 -34.124 6.348 -10.875 1.00 1.00 C ATOM 754 CG ASP A 48 -33.622 5.076 -10.189 1.00 1.00 C ATOM 755 OD1 ASP A 48 -32.630 4.468 -10.618 1.00 1.00 O ATOM 756 OD2 ASP A 48 -34.304 4.707 -9.158 1.00 1.00 O ATOM 0 H ASP A 48 -33.049 7.938 -12.764 1.00 1.00 H new ATOM 0 HA ASP A 48 -34.197 5.212 -12.700 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -33.449 7.167 -10.627 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -35.100 6.604 -10.463 1.00 1.00 H new ATOM 762 N CYS A 49 -35.523 7.679 -13.866 1.00 1.00 N ATOM 763 CA CYS A 49 -36.713 8.347 -14.366 1.00 1.00 C ATOM 764 C CYS A 49 -37.442 7.387 -15.308 1.00 1.00 C ATOM 765 O CYS A 49 -36.985 7.139 -16.423 1.00 1.00 O ATOM 766 CB CYS A 49 -36.373 9.671 -15.051 1.00 1.00 C ATOM 767 SG CYS A 49 -37.908 10.508 -15.593 1.00 1.00 S ATOM 0 H CYS A 49 -34.672 7.871 -14.395 1.00 1.00 H new ATOM 0 HA CYS A 49 -37.367 8.603 -13.532 1.00 1.00 H new ATOM 0 HB2 CYS A 49 -35.821 10.314 -14.365 1.00 1.00 H new ATOM 0 HB3 CYS A 49 -35.725 9.490 -15.909 1.00 1.00 H new ATOM 772 N THR A 50 -38.563 6.872 -14.825 1.00 1.00 N ATOM 773 CA THR A 50 -39.360 5.945 -15.611 1.00 1.00 C ATOM 774 C THR A 50 -40.016 6.670 -16.788 1.00 1.00 C ATOM 775 O THR A 50 -40.609 6.036 -17.659 1.00 1.00 O ATOM 776 CB THR A 50 -40.367 5.275 -14.673 1.00 1.00 C ATOM 777 OG1 THR A 50 -41.051 6.366 -14.062 1.00 1.00 O ATOM 778 CG2 THR A 50 -39.690 4.558 -13.504 1.00 1.00 C ATOM 0 H THR A 50 -38.938 7.079 -13.899 1.00 1.00 H new ATOM 0 HA THR A 50 -38.739 5.167 -16.055 1.00 1.00 H new ATOM 0 HB THR A 50 -40.969 4.562 -15.236 1.00 1.00 H new ATOM 0 HG1 THR A 50 -41.725 6.022 -13.439 1.00 1.00 H new ATOM 0 HG21 THR A 50 -40.449 4.100 -12.869 1.00 1.00 H new ATOM 0 HG22 THR A 50 -39.023 3.786 -13.888 1.00 1.00 H new ATOM 0 HG23 THR A 50 -39.115 5.277 -12.920 1.00 1.00 H new ATOM 786 N GLU A 51 -39.886 7.989 -16.776 1.00 1.00 N ATOM 787 CA GLU A 51 -40.458 8.807 -17.832 1.00 1.00 C ATOM 788 C GLU A 51 -40.507 10.274 -17.399 1.00 1.00 C ATOM 789 O GLU A 51 -39.620 11.055 -17.739 1.00 1.00 O ATOM 790 CB GLU A 51 -41.849 8.303 -18.222 1.00 1.00 C ATOM 791 CG GLU A 51 -41.837 7.690 -19.624 1.00 1.00 C ATOM 792 CD GLU A 51 -43.219 7.778 -20.274 1.00 1.00 C ATOM 793 OE1 GLU A 51 -43.951 6.778 -20.311 1.00 1.00 O ATOM 794 OE2 GLU A 51 -43.525 8.937 -20.750 1.00 1.00 O ATOM 0 H GLU A 51 -39.393 8.511 -16.052 1.00 1.00 H new ATOM 0 HA GLU A 51 -39.820 8.730 -18.712 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -42.186 7.560 -17.499 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -42.561 9.127 -18.188 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -41.106 8.208 -20.245 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -41.524 6.647 -19.566 1.00 1.00 H new ATOM 802 N ARG A 52 -41.554 10.603 -16.656 1.00 1.00 N ATOM 803 CA ARG A 52 -41.730 11.963 -16.174 1.00 1.00 C ATOM 804 C ARG A 52 -42.671 11.980 -14.967 1.00 1.00 C ATOM 805 O ARG A 52 -43.006 10.929 -14.422 1.00 1.00 O ATOM 806 CB ARG A 52 -42.300 12.866 -17.269 1.00 1.00 C ATOM 807 CG ARG A 52 -41.227 13.812 -17.812 1.00 1.00 C ATOM 808 CD ARG A 52 -41.436 15.235 -17.291 1.00 1.00 C ATOM 809 NE ARG A 52 -42.514 15.901 -18.055 1.00 1.00 N ATOM 810 CZ ARG A 52 -43.251 16.930 -17.585 1.00 1.00 C ATOM 811 NH1 ARG A 52 -43.031 17.421 -16.346 1.00 1.00 N ATOM 812 NH2 ARG A 52 -44.190 17.449 -18.354 1.00 1.00 N ATOM 0 H ARG A 52 -42.288 9.952 -16.376 1.00 1.00 H new ATOM 0 HA ARG A 52 -40.750 12.341 -15.881 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -42.696 12.255 -18.080 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -43.133 13.445 -16.871 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -40.240 13.455 -17.518 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -41.255 13.812 -18.902 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -41.692 15.209 -16.232 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -40.510 15.804 -17.381 1.00 1.00 H new ATOM 0 HE ARG A 52 -42.713 15.561 -18.996 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -42.304 17.014 -15.758 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -43.592 18.199 -15.998 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -44.350 17.072 -19.288 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -44.756 18.227 -18.014 1.00 1.00 H new ATOM 825 N GLN A 53 -43.071 13.184 -14.586 1.00 1.00 N ATOM 826 CA GLN A 53 -43.966 13.352 -13.454 1.00 1.00 C ATOM 827 C GLN A 53 -45.357 12.812 -13.794 1.00 1.00 C ATOM 828 O GLN A 53 -46.330 13.566 -13.821 1.00 1.00 O ATOM 829 CB GLN A 53 -44.037 14.818 -13.024 1.00 1.00 C ATOM 830 CG GLN A 53 -44.650 15.684 -14.126 1.00 1.00 C ATOM 831 CD GLN A 53 -45.893 16.418 -13.619 1.00 1.00 C ATOM 832 OE1 GLN A 53 -47.009 16.168 -14.044 1.00 1.00 O ATOM 833 NE2 GLN A 53 -45.640 17.334 -12.689 1.00 1.00 N ATOM 0 H GLN A 53 -42.792 14.053 -15.041 1.00 1.00 H new ATOM 0 HA GLN A 53 -43.570 12.781 -12.614 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -44.632 14.905 -12.115 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -43.037 15.180 -12.787 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -43.914 16.407 -14.477 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -44.915 15.059 -14.979 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -44.682 17.493 -12.378 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -46.404 17.877 -12.287 1.00 1.00 H new ATOM 842 N ALA A 54 -45.408 11.512 -14.044 1.00 1.00 N ATOM 843 CA ALA A 54 -46.664 10.863 -14.381 1.00 1.00 C ATOM 844 C ALA A 54 -46.504 9.349 -14.239 1.00 1.00 C ATOM 845 O ALA A 54 -45.387 8.834 -14.255 1.00 1.00 O ATOM 846 CB ALA A 54 -47.090 11.276 -15.792 1.00 1.00 C ATOM 0 H ALA A 54 -44.600 10.890 -14.020 1.00 1.00 H new ATOM 0 HA ALA A 54 -47.454 11.176 -13.698 1.00 1.00 H new ATOM 0 HB1 ALA A 54 -48.032 10.789 -16.045 1.00 1.00 H new ATOM 0 HB2 ALA A 54 -47.218 12.358 -15.831 1.00 1.00 H new ATOM 0 HB3 ALA A 54 -46.323 10.976 -16.506 1.00 1.00 H new ATOM 852 N ASN A 55 -47.638 8.676 -14.104 1.00 1.00 N ATOM 853 CA ASN A 55 -47.638 7.231 -13.959 1.00 1.00 C ATOM 854 C ASN A 55 -46.610 6.828 -12.900 1.00 1.00 C ATOM 855 O ASN A 55 -46.101 5.709 -12.918 1.00 1.00 O ATOM 856 CB ASN A 55 -47.256 6.546 -15.273 1.00 1.00 C ATOM 857 CG ASN A 55 -48.342 6.746 -16.332 1.00 1.00 C ATOM 858 OD1 ASN A 55 -49.341 6.047 -16.374 1.00 1.00 O ATOM 859 ND2 ASN A 55 -48.092 7.737 -17.182 1.00 1.00 N ATOM 0 H ASN A 55 -48.563 9.106 -14.092 1.00 1.00 H new ATOM 0 HA ASN A 55 -48.642 6.922 -13.669 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -46.311 6.949 -15.636 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -47.103 5.481 -15.101 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -48.757 7.951 -17.926 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -47.236 8.284 -17.090 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 -19.161 9.036 -1.138 1.00 1.00 ZN HETATM 868 ZN ZN A 57 -38.200 11.741 -13.670 1.00 1.00 ZN