USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 517 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 59 HIS : no HD1:sc= -0.0496 X(o=-0.22,f=-0.68) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.17 USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.334 K(o=-0.29,f=-2.1) USER MOD Set 2.2: A 48 CYS SG : rot 29:sc= 0.0443 USER MOD Set 3.1: A 18 ASN : amide:sc= -1.5! C(o=-1.5!,f=-6.4!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ -143:sc= -0.0196 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc=0.000514 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00989) USER MOD Single : A 17 LYS NZ :NH3+ 138:sc= 0.893 (180deg=0.111) USER MOD Single : A 20 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 25 TYR OH : rot 23:sc= 0.255 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0.227 (180deg=0.00322) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -37:sc= 0.307 USER MOD Single : A 38 THR OG1 : rot -95:sc= 0.349 USER MOD Single : A 43 HIS : no HD1:sc=-0.00141 X(o=-0.0014,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-2) USER MOD Single : A 56 ASN : amide:sc= 0.00522 K(o=0.0052,f=-2!) USER MOD Single : A 60 MET CE :methyl 171:sc= -0.0268 (180deg=-0.163) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.058 0.574 -3.293 1.00 0.00 N ATOM 2 CA GLY A 1 1.484 0.935 -1.925 1.00 0.00 C ATOM 3 C GLY A 1 2.923 1.435 -1.882 1.00 0.00 C ATOM 4 O GLY A 1 3.254 2.405 -2.570 1.00 0.00 O ATOM 0 H1 GLY A 1 0.073 0.240 -3.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.128 1.408 -3.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.672 -0.180 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.822 1.706 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.384 0.066 -1.274 1.00 0.00 H new ATOM 10 N ALA A 2 3.775 0.772 -1.068 1.00 0.00 N ATOM 11 CA ALA A 2 5.206 1.115 -0.934 1.00 0.00 C ATOM 12 C ALA A 2 5.947 0.823 -2.256 1.00 0.00 C ATOM 13 O ALA A 2 6.222 -0.340 -2.583 1.00 0.00 O ATOM 14 CB ALA A 2 5.838 0.351 0.252 1.00 0.00 C ATOM 0 H ALA A 2 3.488 -0.015 -0.486 1.00 0.00 H new ATOM 0 HA ALA A 2 5.299 2.181 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.892 0.616 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.322 0.619 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.746 -0.722 0.084 1.00 0.00 H new ATOM 20 N SER A 3 6.224 1.900 -3.014 1.00 0.00 N ATOM 21 CA SER A 3 6.816 1.824 -4.361 1.00 0.00 C ATOM 22 C SER A 3 8.294 1.383 -4.329 1.00 0.00 C ATOM 23 O SER A 3 8.782 0.781 -5.295 1.00 0.00 O ATOM 24 CB SER A 3 6.670 3.194 -5.056 1.00 0.00 C ATOM 25 OG SER A 3 7.195 4.237 -4.249 1.00 0.00 O ATOM 0 H SER A 3 6.041 2.855 -2.706 1.00 0.00 H new ATOM 0 HA SER A 3 6.278 1.062 -4.926 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.189 3.176 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.618 3.388 -5.267 1.00 0.00 H new ATOM 0 HG SER A 3 7.091 5.094 -4.713 1.00 0.00 H new ATOM 31 N GLY A 4 8.997 1.687 -3.218 1.00 0.00 N ATOM 32 CA GLY A 4 10.404 1.306 -3.073 1.00 0.00 C ATOM 33 C GLY A 4 11.019 1.700 -1.733 1.00 0.00 C ATOM 34 O GLY A 4 10.896 0.959 -0.751 1.00 0.00 O ATOM 0 H GLY A 4 8.611 2.191 -2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.492 0.227 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.979 1.768 -3.875 1.00 0.00 H new ATOM 38 N ASP A 5 11.645 2.893 -1.684 1.00 0.00 N ATOM 39 CA ASP A 5 12.606 3.260 -0.616 1.00 0.00 C ATOM 40 C ASP A 5 11.900 3.663 0.691 1.00 0.00 C ATOM 41 O ASP A 5 12.316 3.268 1.791 1.00 0.00 O ATOM 42 CB ASP A 5 13.516 4.408 -1.126 1.00 0.00 C ATOM 43 CG ASP A 5 14.658 4.768 -0.161 1.00 0.00 C ATOM 44 OD1 ASP A 5 15.702 4.077 -0.184 1.00 0.00 O ATOM 45 OD2 ASP A 5 14.525 5.735 0.621 1.00 0.00 O ATOM 0 H ASP A 5 11.502 3.627 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 5 13.210 2.383 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.942 4.122 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.905 5.294 -1.299 1.00 0.00 H new ATOM 50 N LEU A 6 10.807 4.421 0.554 1.00 0.00 N ATOM 51 CA LEU A 6 10.072 5.004 1.683 1.00 0.00 C ATOM 52 C LEU A 6 8.930 4.079 2.067 1.00 0.00 C ATOM 53 O LEU A 6 7.794 4.206 1.586 1.00 0.00 O ATOM 54 CB LEU A 6 9.565 6.424 1.330 1.00 0.00 C ATOM 55 CG LEU A 6 10.685 7.441 0.942 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.088 8.759 0.405 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.661 7.688 2.126 1.00 0.00 C ATOM 0 H LEU A 6 10.403 4.650 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 6 10.738 5.107 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.860 6.348 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.013 6.820 2.183 1.00 0.00 H new ATOM 0 HG LEU A 6 11.266 6.999 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.895 9.444 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.487 8.552 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.460 9.213 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.428 8.400 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.108 8.090 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.132 6.747 2.412 1.00 0.00 H new ATOM 69 N TYR A 7 9.294 3.092 2.874 1.00 0.00 N ATOM 70 CA TYR A 7 8.355 2.185 3.543 1.00 0.00 C ATOM 71 C TYR A 7 7.466 2.945 4.547 1.00 0.00 C ATOM 72 O TYR A 7 7.612 4.160 4.743 1.00 0.00 O ATOM 73 CB TYR A 7 9.149 1.048 4.231 1.00 0.00 C ATOM 74 CG TYR A 7 9.922 0.159 3.240 1.00 0.00 C ATOM 75 CD1 TYR A 7 9.281 -0.878 2.548 1.00 0.00 C ATOM 76 CD2 TYR A 7 11.279 0.368 2.976 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.969 -1.666 1.640 1.00 0.00 C ATOM 78 CE2 TYR A 7 11.965 -0.421 2.071 1.00 0.00 C ATOM 79 CZ TYR A 7 11.307 -1.432 1.406 1.00 0.00 C ATOM 80 OH TYR A 7 11.994 -2.211 0.498 1.00 0.00 O ATOM 0 H TYR A 7 10.270 2.890 3.090 1.00 0.00 H new ATOM 0 HA TYR A 7 7.687 1.748 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.851 1.483 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.459 0.428 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.232 -1.066 2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 7 11.802 1.162 3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.459 -2.461 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 7 13.014 -0.245 1.886 1.00 0.00 H new ATOM 0 HH TYR A 7 12.927 -1.913 0.451 1.00 0.00 H new ATOM 90 N GLU A 8 6.555 2.205 5.182 1.00 0.00 N ATOM 91 CA GLU A 8 5.497 2.774 6.018 1.00 0.00 C ATOM 92 C GLU A 8 6.097 3.342 7.297 1.00 0.00 C ATOM 93 O GLU A 8 6.384 2.591 8.229 1.00 0.00 O ATOM 94 CB GLU A 8 4.415 1.714 6.338 1.00 0.00 C ATOM 95 CG GLU A 8 3.257 2.258 7.198 1.00 0.00 C ATOM 96 CD GLU A 8 2.101 1.271 7.344 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.364 1.063 6.360 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.927 0.687 8.425 1.00 0.00 O ATOM 0 H GLU A 8 6.531 1.187 5.130 1.00 0.00 H new ATOM 0 HA GLU A 8 5.014 3.583 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.011 1.325 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.881 0.876 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.636 2.512 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.885 3.181 6.753 1.00 0.00 H new ATOM 105 N VAL A 9 6.327 4.663 7.307 1.00 0.00 N ATOM 106 CA VAL A 9 6.941 5.347 8.443 1.00 0.00 C ATOM 107 C VAL A 9 5.985 5.327 9.647 1.00 0.00 C ATOM 108 O VAL A 9 4.804 5.680 9.526 1.00 0.00 O ATOM 109 CB VAL A 9 7.386 6.828 8.088 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.377 6.837 6.890 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.176 7.767 7.816 1.00 0.00 C ATOM 0 H VAL A 9 6.092 5.280 6.530 1.00 0.00 H new ATOM 0 HA VAL A 9 7.851 4.806 8.704 1.00 0.00 H new ATOM 0 HB VAL A 9 7.898 7.222 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.667 7.863 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.263 6.257 7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.896 6.397 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.538 8.767 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.598 7.381 6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.543 7.811 8.703 1.00 0.00 H new ATOM 121 N GLU A 10 6.472 4.813 10.781 1.00 0.00 N ATOM 122 CA GLU A 10 5.759 4.909 12.050 1.00 0.00 C ATOM 123 C GLU A 10 5.860 6.356 12.562 1.00 0.00 C ATOM 124 O GLU A 10 4.844 6.969 12.904 1.00 0.00 O ATOM 125 CB GLU A 10 6.344 3.908 13.075 1.00 0.00 C ATOM 126 CG GLU A 10 5.559 3.841 14.400 1.00 0.00 C ATOM 127 CD GLU A 10 6.100 2.810 15.400 1.00 0.00 C ATOM 128 OE1 GLU A 10 6.163 1.610 15.060 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.475 3.200 16.529 1.00 0.00 O ATOM 0 H GLU A 10 7.365 4.323 10.841 1.00 0.00 H new ATOM 0 HA GLU A 10 4.709 4.652 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.366 2.915 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.376 4.184 13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.572 4.826 14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.517 3.606 14.181 1.00 0.00 H new ATOM 136 N ARG A 11 7.102 6.899 12.554 1.00 0.00 N ATOM 137 CA ARG A 11 7.391 8.274 13.024 1.00 0.00 C ATOM 138 C ARG A 11 8.889 8.579 12.829 1.00 0.00 C ATOM 139 O ARG A 11 9.661 7.693 12.431 1.00 0.00 O ATOM 140 CB ARG A 11 7.001 8.435 14.538 1.00 0.00 C ATOM 141 CG ARG A 11 8.008 7.817 15.534 1.00 0.00 C ATOM 142 CD ARG A 11 7.468 7.666 16.963 1.00 0.00 C ATOM 143 NE ARG A 11 6.578 6.490 17.087 1.00 0.00 N ATOM 144 CZ ARG A 11 5.539 6.386 17.924 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.090 7.443 18.588 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.923 5.227 18.049 1.00 0.00 N ATOM 0 H ARG A 11 7.927 6.398 12.223 1.00 0.00 H new ATOM 0 HA ARG A 11 6.798 8.978 12.441 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.896 9.497 14.761 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.025 7.977 14.698 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.310 6.836 15.166 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.904 8.438 15.560 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.301 7.568 17.659 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.923 8.567 17.244 1.00 0.00 H new ATOM 0 HE ARG A 11 6.773 5.691 16.483 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.538 8.351 18.464 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.297 7.348 19.222 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.239 4.421 17.511 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.130 5.137 18.684 1.00 0.00 H new ATOM 160 N ILE A 12 9.297 9.825 13.114 1.00 0.00 N ATOM 161 CA ILE A 12 10.720 10.160 13.278 1.00 0.00 C ATOM 162 C ILE A 12 11.170 9.773 14.697 1.00 0.00 C ATOM 163 O ILE A 12 10.531 10.146 15.685 1.00 0.00 O ATOM 164 CB ILE A 12 11.032 11.678 13.031 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.531 12.124 11.616 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.557 11.967 13.213 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.097 13.448 11.137 1.00 0.00 C ATOM 0 H ILE A 12 8.664 10.615 13.235 1.00 0.00 H new ATOM 0 HA ILE A 12 11.269 9.597 12.524 1.00 0.00 H new ATOM 0 HB ILE A 12 10.493 12.265 13.774 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.788 11.350 10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.443 12.194 11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.750 13.025 13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.858 11.707 14.228 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.128 11.371 12.501 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.697 13.679 10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.818 14.237 11.835 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.183 13.381 11.082 1.00 0.00 H new ATOM 179 N VAL A 13 12.256 8.999 14.762 1.00 0.00 N ATOM 180 CA VAL A 13 12.929 8.626 16.010 1.00 0.00 C ATOM 181 C VAL A 13 13.693 9.840 16.552 1.00 0.00 C ATOM 182 O VAL A 13 13.433 10.316 17.663 1.00 0.00 O ATOM 183 CB VAL A 13 13.949 7.450 15.766 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.652 6.996 17.066 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.271 6.275 15.044 1.00 0.00 C ATOM 0 H VAL A 13 12.701 8.606 13.933 1.00 0.00 H new ATOM 0 HA VAL A 13 12.176 8.297 16.726 1.00 0.00 H new ATOM 0 HB VAL A 13 14.733 7.836 15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.344 6.184 16.841 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.203 7.834 17.494 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.906 6.649 17.781 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.996 5.477 14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.446 5.902 15.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.889 6.612 14.080 1.00 0.00 H new ATOM 195 N ASP A 14 14.614 10.343 15.707 1.00 0.00 N ATOM 196 CA ASP A 14 15.605 11.345 16.091 1.00 0.00 C ATOM 197 C ASP A 14 16.236 11.937 14.807 1.00 0.00 C ATOM 198 O ASP A 14 15.750 11.676 13.707 1.00 0.00 O ATOM 199 CB ASP A 14 16.664 10.682 17.022 1.00 0.00 C ATOM 200 CG ASP A 14 17.425 11.692 17.896 1.00 0.00 C ATOM 201 OD1 ASP A 14 16.860 12.153 18.907 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.579 12.032 17.579 1.00 0.00 O ATOM 0 H ASP A 14 14.684 10.057 14.731 1.00 0.00 H new ATOM 0 HA ASP A 14 15.146 12.163 16.646 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.167 9.957 17.666 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.379 10.130 16.412 1.00 0.00 H new ATOM 207 N LYS A 15 17.281 12.765 14.946 1.00 0.00 N ATOM 208 CA LYS A 15 18.085 13.245 13.800 1.00 0.00 C ATOM 209 C LYS A 15 19.557 13.323 14.235 1.00 0.00 C ATOM 210 O LYS A 15 19.863 13.304 15.425 1.00 0.00 O ATOM 211 CB LYS A 15 17.533 14.612 13.248 1.00 0.00 C ATOM 212 CG LYS A 15 18.210 15.913 13.784 1.00 0.00 C ATOM 213 CD LYS A 15 19.310 16.474 12.834 1.00 0.00 C ATOM 214 CE LYS A 15 20.147 17.592 13.485 1.00 0.00 C ATOM 215 NZ LYS A 15 19.317 18.729 13.946 1.00 0.00 N ATOM 0 H LYS A 15 17.596 13.122 15.848 1.00 0.00 H new ATOM 0 HA LYS A 15 18.010 12.545 12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.627 14.603 12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.468 14.665 13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.446 16.676 13.934 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.652 15.709 14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.970 15.662 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.840 16.858 11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.698 17.182 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.885 17.953 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.933 19.482 14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.759 19.097 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.676 18.408 14.699 1.00 0.00 H new ATOM 229 N ARG A 16 20.457 13.428 13.260 1.00 0.00 N ATOM 230 CA ARG A 16 21.907 13.407 13.487 1.00 0.00 C ATOM 231 C ARG A 16 22.623 14.151 12.349 1.00 0.00 C ATOM 232 O ARG A 16 21.984 14.652 11.400 1.00 0.00 O ATOM 233 CB ARG A 16 22.406 11.935 13.571 1.00 0.00 C ATOM 234 CG ARG A 16 22.444 11.172 12.220 1.00 0.00 C ATOM 235 CD ARG A 16 22.948 9.734 12.376 1.00 0.00 C ATOM 236 NE ARG A 16 23.331 9.126 11.088 1.00 0.00 N ATOM 237 CZ ARG A 16 23.969 7.952 10.943 1.00 0.00 C ATOM 238 NH1 ARG A 16 24.169 7.146 11.976 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.394 7.577 9.747 1.00 0.00 N ATOM 0 H ARG A 16 20.201 13.531 12.278 1.00 0.00 H new ATOM 0 HA ARG A 16 22.132 13.908 14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.408 11.932 14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 16 21.762 11.389 14.260 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.445 11.159 11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.088 11.706 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.806 9.724 13.048 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.171 9.129 12.843 1.00 0.00 H new ATOM 0 HE ARG A 16 23.092 9.638 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.836 7.412 12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.656 6.259 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.237 8.178 8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.879 6.687 9.634 1.00 0.00 H new ATOM 253 N LYS A 17 23.953 14.228 12.466 1.00 0.00 N ATOM 254 CA LYS A 17 24.836 14.668 11.384 1.00 0.00 C ATOM 255 C LYS A 17 25.560 13.430 10.814 1.00 0.00 C ATOM 256 O LYS A 17 25.847 12.465 11.537 1.00 0.00 O ATOM 257 CB LYS A 17 25.865 15.758 11.870 1.00 0.00 C ATOM 258 CG LYS A 17 26.120 16.923 10.870 1.00 0.00 C ATOM 259 CD LYS A 17 25.222 18.171 11.078 1.00 0.00 C ATOM 260 CE LYS A 17 23.727 17.941 10.807 1.00 0.00 C ATOM 261 NZ LYS A 17 22.953 19.180 11.018 1.00 0.00 N ATOM 0 H LYS A 17 24.450 13.984 13.323 1.00 0.00 H new ATOM 0 HA LYS A 17 24.239 15.141 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.507 16.179 12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.815 15.268 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.164 17.227 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.971 16.551 9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.341 18.520 12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.577 18.969 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.589 17.592 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.351 17.157 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.248 19.282 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.470 19.135 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.596 19.997 11.005 1.00 0.00 H new ATOM 275 N ASN A 18 25.827 13.474 9.513 1.00 0.00 N ATOM 276 CA ASN A 18 26.585 12.448 8.785 1.00 0.00 C ATOM 277 C ASN A 18 28.087 12.706 9.014 1.00 0.00 C ATOM 278 O ASN A 18 28.457 13.779 9.513 1.00 0.00 O ATOM 279 CB ASN A 18 26.180 12.497 7.274 1.00 0.00 C ATOM 280 CG ASN A 18 26.816 11.416 6.384 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.842 11.636 5.762 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.228 10.233 6.333 1.00 0.00 N ATOM 0 H ASN A 18 25.517 14.241 8.916 1.00 0.00 H new ATOM 0 HA ASN A 18 26.361 11.444 9.145 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.096 12.410 7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.448 13.475 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.632 9.487 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.370 10.067 6.860 1.00 0.00 H new ATOM 289 N LYS A 19 28.951 11.732 8.685 1.00 0.00 N ATOM 290 CA LYS A 19 30.427 11.913 8.775 1.00 0.00 C ATOM 291 C LYS A 19 30.926 12.969 7.750 1.00 0.00 C ATOM 292 O LYS A 19 32.033 13.495 7.873 1.00 0.00 O ATOM 293 CB LYS A 19 31.198 10.559 8.608 1.00 0.00 C ATOM 294 CG LYS A 19 31.145 9.886 7.210 1.00 0.00 C ATOM 295 CD LYS A 19 29.792 9.214 6.892 1.00 0.00 C ATOM 296 CE LYS A 19 29.796 8.497 5.532 1.00 0.00 C ATOM 297 NZ LYS A 19 28.481 7.899 5.207 1.00 0.00 N ATOM 0 H LYS A 19 28.664 10.811 8.354 1.00 0.00 H new ATOM 0 HA LYS A 19 30.642 12.284 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.244 10.731 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.805 9.853 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 19 31.355 10.636 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 31.935 9.138 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.553 8.496 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 19 29.005 9.968 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.073 9.205 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.556 7.716 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.623 6.992 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 27.946 7.739 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.949 8.545 4.590 1.00 0.00 H new ATOM 311 N LYS A 20 30.076 13.253 6.740 1.00 0.00 N ATOM 312 CA LYS A 20 30.287 14.315 5.728 1.00 0.00 C ATOM 313 C LYS A 20 29.556 15.628 6.160 1.00 0.00 C ATOM 314 O LYS A 20 29.526 16.618 5.425 1.00 0.00 O ATOM 315 CB LYS A 20 29.784 13.781 4.345 1.00 0.00 C ATOM 316 CG LYS A 20 30.134 14.641 3.101 1.00 0.00 C ATOM 317 CD LYS A 20 29.672 13.994 1.763 1.00 0.00 C ATOM 318 CE LYS A 20 28.160 13.694 1.725 1.00 0.00 C ATOM 319 NZ LYS A 20 27.722 13.134 0.425 1.00 0.00 N ATOM 0 H LYS A 20 29.205 12.741 6.601 1.00 0.00 H new ATOM 0 HA LYS A 20 31.345 14.563 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 20 30.194 12.782 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.700 13.677 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 20 29.670 15.622 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 20 31.212 14.800 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 29.925 14.660 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 30.224 13.067 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 20 27.913 12.991 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.606 14.611 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.699 12.951 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 27.931 13.814 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 28.228 12.244 0.242 1.00 0.00 H new ATOM 333 N GLY A 21 28.978 15.605 7.379 1.00 0.00 N ATOM 334 CA GLY A 21 28.331 16.768 7.998 1.00 0.00 C ATOM 335 C GLY A 21 26.961 17.110 7.414 1.00 0.00 C ATOM 336 O GLY A 21 26.582 18.284 7.347 1.00 0.00 O ATOM 0 H GLY A 21 28.950 14.768 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 21 28.221 16.582 9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.985 17.633 7.890 1.00 0.00 H new ATOM 340 N LYS A 22 26.207 16.073 7.008 1.00 0.00 N ATOM 341 CA LYS A 22 24.875 16.223 6.365 1.00 0.00 C ATOM 342 C LYS A 22 23.747 15.860 7.346 1.00 0.00 C ATOM 343 O LYS A 22 23.961 15.117 8.286 1.00 0.00 O ATOM 344 CB LYS A 22 24.797 15.331 5.093 1.00 0.00 C ATOM 345 CG LYS A 22 25.965 15.552 4.100 1.00 0.00 C ATOM 346 CD LYS A 22 26.106 17.025 3.646 1.00 0.00 C ATOM 347 CE LYS A 22 27.342 17.265 2.764 1.00 0.00 C ATOM 348 NZ LYS A 22 27.448 18.682 2.340 1.00 0.00 N ATOM 0 H LYS A 22 26.499 15.101 7.114 1.00 0.00 H new ATOM 0 HA LYS A 22 24.746 17.266 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.783 14.284 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.855 15.527 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.896 15.231 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.814 14.921 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.211 17.317 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.163 17.667 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.240 16.981 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 22 27.290 16.625 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 28.294 18.805 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.602 18.946 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.523 19.291 3.180 1.00 0.00 H new ATOM 362 N TRP A 23 22.540 16.390 7.120 1.00 0.00 N ATOM 363 CA TRP A 23 21.385 16.139 8.006 1.00 0.00 C ATOM 364 C TRP A 23 20.760 14.773 7.669 1.00 0.00 C ATOM 365 O TRP A 23 20.193 14.609 6.585 1.00 0.00 O ATOM 366 CB TRP A 23 20.315 17.259 7.837 1.00 0.00 C ATOM 367 CG TRP A 23 20.768 18.664 8.178 1.00 0.00 C ATOM 368 CD1 TRP A 23 21.818 19.350 7.635 1.00 0.00 C ATOM 369 CD2 TRP A 23 20.142 19.565 9.103 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.888 20.606 8.171 1.00 0.00 N ATOM 371 CE2 TRP A 23 20.871 20.764 9.073 1.00 0.00 C ATOM 372 CE3 TRP A 23 19.038 19.469 9.958 1.00 0.00 C ATOM 373 CZ2 TRP A 23 20.531 21.862 9.857 1.00 0.00 C ATOM 374 CZ3 TRP A 23 18.699 20.558 10.734 1.00 0.00 C ATOM 375 CH2 TRP A 23 19.445 21.742 10.680 1.00 0.00 C ATOM 0 H TRP A 23 22.331 16.999 6.329 1.00 0.00 H new ATOM 0 HA TRP A 23 21.731 16.137 9.039 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.968 17.251 6.804 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.457 17.013 8.463 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.494 18.957 6.890 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.586 21.312 7.936 1.00 0.00 H new ATOM 0 HE3 TRP A 23 18.461 18.557 10.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 21.104 22.777 9.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 17.846 20.497 11.393 1.00 0.00 H new ATOM 0 HH2 TRP A 23 19.157 22.577 11.301 1.00 0.00 H new ATOM 386 N GLU A 24 20.873 13.787 8.579 1.00 0.00 N ATOM 387 CA GLU A 24 20.149 12.513 8.449 1.00 0.00 C ATOM 388 C GLU A 24 19.168 12.408 9.608 1.00 0.00 C ATOM 389 O GLU A 24 19.549 12.600 10.755 1.00 0.00 O ATOM 390 CB GLU A 24 21.139 11.322 8.478 1.00 0.00 C ATOM 391 CG GLU A 24 22.156 11.310 7.325 1.00 0.00 C ATOM 392 CD GLU A 24 23.147 10.142 7.416 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.935 10.108 8.386 1.00 0.00 O ATOM 394 OE2 GLU A 24 23.168 9.268 6.525 1.00 0.00 O ATOM 0 H GLU A 24 21.459 13.850 9.411 1.00 0.00 H new ATOM 0 HA GLU A 24 19.616 12.482 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.681 11.339 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.570 10.392 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.622 11.254 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.708 12.250 7.325 1.00 0.00 H new ATOM 401 N TYR A 25 17.921 12.094 9.305 1.00 0.00 N ATOM 402 CA TYR A 25 16.868 11.923 10.296 1.00 0.00 C ATOM 403 C TYR A 25 16.650 10.431 10.509 1.00 0.00 C ATOM 404 O TYR A 25 16.387 9.691 9.553 1.00 0.00 O ATOM 405 CB TYR A 25 15.567 12.630 9.835 1.00 0.00 C ATOM 406 CG TYR A 25 15.620 14.172 9.911 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.553 14.907 9.172 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.736 14.890 10.730 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.599 16.283 9.244 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.781 16.270 10.797 1.00 0.00 C ATOM 411 CZ TYR A 25 15.715 16.958 10.055 1.00 0.00 C ATOM 412 OH TYR A 25 15.765 18.331 10.116 1.00 0.00 O ATOM 0 H TYR A 25 17.604 11.948 8.347 1.00 0.00 H new ATOM 0 HA TYR A 25 17.160 12.381 11.241 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.352 12.336 8.808 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.738 12.276 10.448 1.00 0.00 H new ATOM 0 HD1 TYR A 25 17.251 14.387 8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.006 14.354 11.319 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.328 16.831 8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.087 16.806 11.428 1.00 0.00 H new ATOM 0 HH TYR A 25 16.185 18.680 9.302 1.00 0.00 H new ATOM 422 N LEU A 26 16.809 10.003 11.761 1.00 0.00 N ATOM 423 CA LEU A 26 16.589 8.628 12.175 1.00 0.00 C ATOM 424 C LEU A 26 15.072 8.388 12.160 1.00 0.00 C ATOM 425 O LEU A 26 14.356 8.970 12.962 1.00 0.00 O ATOM 426 CB LEU A 26 17.195 8.410 13.599 1.00 0.00 C ATOM 427 CG LEU A 26 17.650 6.966 13.940 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.782 6.500 12.998 1.00 0.00 C ATOM 429 CD2 LEU A 26 18.079 6.860 15.420 1.00 0.00 C ATOM 0 H LEU A 26 17.099 10.615 12.524 1.00 0.00 H new ATOM 0 HA LEU A 26 17.077 7.920 11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.052 9.074 13.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.454 8.718 14.337 1.00 0.00 H new ATOM 0 HG LEU A 26 16.799 6.302 13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.080 5.485 13.261 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.428 6.519 11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.638 7.167 13.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.394 5.839 15.635 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.908 7.543 15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.239 7.124 16.062 1.00 0.00 H new ATOM 441 N ILE A 27 14.591 7.634 11.170 1.00 0.00 N ATOM 442 CA ILE A 27 13.160 7.311 11.006 1.00 0.00 C ATOM 443 C ILE A 27 12.930 5.841 11.367 1.00 0.00 C ATOM 444 O ILE A 27 13.765 4.989 11.070 1.00 0.00 O ATOM 445 CB ILE A 27 12.652 7.545 9.517 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.197 8.880 8.912 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.102 7.498 9.431 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.772 10.131 9.645 1.00 0.00 C ATOM 0 H ILE A 27 15.184 7.223 10.449 1.00 0.00 H new ATOM 0 HA ILE A 27 12.601 7.975 11.665 1.00 0.00 H new ATOM 0 HB ILE A 27 13.052 6.726 8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.286 8.837 8.897 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.867 8.954 7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.790 7.662 8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.748 6.523 9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.679 8.276 10.066 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.199 11.004 9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.685 10.205 9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.126 10.087 10.675 1.00 0.00 H new ATOM 460 N ARG A 28 11.797 5.553 12.009 1.00 0.00 N ATOM 461 CA ARG A 28 11.339 4.179 12.230 1.00 0.00 C ATOM 462 C ARG A 28 10.127 3.908 11.336 1.00 0.00 C ATOM 463 O ARG A 28 9.277 4.789 11.129 1.00 0.00 O ATOM 464 CB ARG A 28 10.972 3.929 13.708 1.00 0.00 C ATOM 465 CG ARG A 28 9.926 4.899 14.288 1.00 0.00 C ATOM 466 CD ARG A 28 9.348 4.428 15.627 1.00 0.00 C ATOM 467 NE ARG A 28 10.339 4.287 16.692 1.00 0.00 N ATOM 468 CZ ARG A 28 10.076 3.808 17.912 1.00 0.00 C ATOM 469 NH1 ARG A 28 8.852 3.420 18.246 1.00 0.00 N ATOM 470 NH2 ARG A 28 11.045 3.703 18.791 1.00 0.00 N ATOM 0 H ARG A 28 11.172 6.263 12.390 1.00 0.00 H new ATOM 0 HA ARG A 28 12.153 3.500 11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.596 2.911 13.807 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.879 3.994 14.309 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.383 5.880 14.421 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.114 5.020 13.571 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.584 5.135 15.949 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.852 3.469 15.478 1.00 0.00 H new ATOM 0 HE ARG A 28 11.297 4.574 16.491 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.093 3.485 17.567 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.670 3.057 19.182 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.993 3.986 18.542 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.850 3.338 19.723 1.00 0.00 H new ATOM 484 N TRP A 29 10.086 2.693 10.800 1.00 0.00 N ATOM 485 CA TRP A 29 8.980 2.170 10.001 1.00 0.00 C ATOM 486 C TRP A 29 8.229 1.110 10.827 1.00 0.00 C ATOM 487 O TRP A 29 8.853 0.314 11.573 1.00 0.00 O ATOM 488 CB TRP A 29 9.484 1.566 8.656 1.00 0.00 C ATOM 489 CG TRP A 29 10.345 2.502 7.826 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.154 3.839 7.626 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.511 2.158 7.068 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.123 4.342 6.801 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.965 3.333 6.442 1.00 0.00 C ATOM 494 CE3 TRP A 29 12.209 0.971 6.855 1.00 0.00 C ATOM 495 CZ2 TRP A 29 13.087 3.354 5.625 1.00 0.00 C ATOM 496 CZ3 TRP A 29 13.324 0.992 6.045 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.751 2.176 5.436 1.00 0.00 C ATOM 0 H TRP A 29 10.846 2.022 10.913 1.00 0.00 H new ATOM 0 HA TRP A 29 8.305 2.988 9.750 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.055 0.662 8.870 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.621 1.265 8.062 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.351 4.418 8.058 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.202 5.314 6.503 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.882 0.051 7.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.422 4.268 5.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.877 0.079 5.878 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.625 2.158 4.802 1.00 0.00 H new ATOM 508 N LYS A 30 6.891 1.096 10.669 1.00 0.00 N ATOM 509 CA LYS A 30 5.992 0.255 11.466 1.00 0.00 C ATOM 510 C LYS A 30 6.314 -1.240 11.262 1.00 0.00 C ATOM 511 O LYS A 30 6.764 -1.649 10.180 1.00 0.00 O ATOM 512 CB LYS A 30 4.504 0.538 11.097 1.00 0.00 C ATOM 513 CG LYS A 30 3.508 0.213 12.242 1.00 0.00 C ATOM 514 CD LYS A 30 2.013 0.180 11.807 1.00 0.00 C ATOM 515 CE LYS A 30 1.554 -1.193 11.258 1.00 0.00 C ATOM 516 NZ LYS A 30 2.351 -1.660 10.095 1.00 0.00 N ATOM 0 H LYS A 30 6.407 1.672 9.981 1.00 0.00 H new ATOM 0 HA LYS A 30 6.145 0.501 12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.400 1.588 10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.238 -0.049 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.770 -0.754 12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.627 0.955 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.390 0.447 12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.849 0.940 11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.619 -1.934 12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.505 -1.128 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.884 -2.482 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.425 -0.895 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.303 -1.931 10.413 1.00 0.00 H new ATOM 530 N GLY A 31 6.097 -2.031 12.315 1.00 0.00 N ATOM 531 CA GLY A 31 6.404 -3.454 12.308 1.00 0.00 C ATOM 532 C GLY A 31 7.664 -3.749 13.100 1.00 0.00 C ATOM 533 O GLY A 31 7.739 -4.777 13.781 1.00 0.00 O ATOM 0 H GLY A 31 5.703 -1.698 13.195 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.568 -4.011 12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.529 -3.796 11.281 1.00 0.00 H new ATOM 537 N TYR A 32 8.662 -2.835 13.026 1.00 0.00 N ATOM 538 CA TYR A 32 9.935 -2.995 13.764 1.00 0.00 C ATOM 539 C TYR A 32 10.142 -1.841 14.756 1.00 0.00 C ATOM 540 O TYR A 32 10.670 -2.054 15.857 1.00 0.00 O ATOM 541 CB TYR A 32 11.125 -3.111 12.783 1.00 0.00 C ATOM 542 CG TYR A 32 11.080 -4.367 11.898 1.00 0.00 C ATOM 543 CD1 TYR A 32 11.549 -5.592 12.378 1.00 0.00 C ATOM 544 CD2 TYR A 32 10.562 -4.332 10.597 1.00 0.00 C ATOM 545 CE1 TYR A 32 11.512 -6.727 11.596 1.00 0.00 C ATOM 546 CE2 TYR A 32 10.525 -5.471 9.814 1.00 0.00 C ATOM 547 CZ TYR A 32 11.001 -6.661 10.318 1.00 0.00 C ATOM 548 OH TYR A 32 10.977 -7.792 9.535 1.00 0.00 O ATOM 0 H TYR A 32 8.609 -1.984 12.465 1.00 0.00 H new ATOM 0 HA TYR A 32 9.883 -3.920 14.338 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.144 -2.228 12.144 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.054 -3.112 13.353 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.948 -5.651 13.380 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.186 -3.401 10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.882 -7.665 11.984 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.125 -5.428 8.812 1.00 0.00 H new ATOM 0 HH TYR A 32 10.585 -7.578 8.663 1.00 0.00 H new ATOM 558 N GLY A 33 9.736 -0.627 14.332 1.00 0.00 N ATOM 559 CA GLY A 33 9.702 0.566 15.196 1.00 0.00 C ATOM 560 C GLY A 33 11.030 0.876 15.889 1.00 0.00 C ATOM 561 O GLY A 33 11.924 1.487 15.284 1.00 0.00 O ATOM 0 H GLY A 33 9.422 -0.448 13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.408 1.427 14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.932 0.429 15.955 1.00 0.00 H new ATOM 565 N SER A 34 11.171 0.403 17.145 1.00 0.00 N ATOM 566 CA SER A 34 12.373 0.618 17.970 1.00 0.00 C ATOM 567 C SER A 34 13.641 0.101 17.247 1.00 0.00 C ATOM 568 O SER A 34 14.533 0.891 16.913 1.00 0.00 O ATOM 569 CB SER A 34 12.193 -0.065 19.341 1.00 0.00 C ATOM 570 OG SER A 34 11.065 0.458 20.026 1.00 0.00 O ATOM 0 H SER A 34 10.448 -0.142 17.616 1.00 0.00 H new ATOM 0 HA SER A 34 12.505 1.688 18.130 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.073 -1.140 19.203 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.089 0.081 19.944 1.00 0.00 H new ATOM 0 HG SER A 34 10.970 0.008 20.892 1.00 0.00 H new ATOM 576 N THR A 35 13.646 -1.201 16.898 1.00 0.00 N ATOM 577 CA THR A 35 14.816 -1.868 16.289 1.00 0.00 C ATOM 578 C THR A 35 14.944 -1.532 14.773 1.00 0.00 C ATOM 579 O THR A 35 15.858 -2.014 14.095 1.00 0.00 O ATOM 580 CB THR A 35 14.753 -3.427 16.515 1.00 0.00 C ATOM 581 OG1 THR A 35 16.005 -4.034 16.146 1.00 0.00 O ATOM 582 CG2 THR A 35 13.601 -4.093 15.728 1.00 0.00 C ATOM 0 H THR A 35 12.844 -1.818 17.029 1.00 0.00 H new ATOM 0 HA THR A 35 15.707 -1.485 16.786 1.00 0.00 H new ATOM 0 HB THR A 35 14.561 -3.586 17.576 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.369 -3.579 15.358 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.603 -5.166 15.919 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.649 -3.669 16.048 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.738 -3.914 14.662 1.00 0.00 H new ATOM 590 N GLU A 36 14.023 -0.696 14.246 1.00 0.00 N ATOM 591 CA GLU A 36 14.036 -0.274 12.828 1.00 0.00 C ATOM 592 C GLU A 36 14.967 0.927 12.611 1.00 0.00 C ATOM 593 O GLU A 36 15.540 1.052 11.520 1.00 0.00 O ATOM 594 CB GLU A 36 12.609 0.112 12.354 1.00 0.00 C ATOM 595 CG GLU A 36 12.492 0.423 10.844 1.00 0.00 C ATOM 596 CD GLU A 36 12.621 -0.803 9.923 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.752 -1.190 9.569 1.00 0.00 O ATOM 598 OE2 GLU A 36 11.581 -1.380 9.548 1.00 0.00 O ATOM 0 H GLU A 36 13.255 -0.297 14.786 1.00 0.00 H new ATOM 0 HA GLU A 36 14.401 -1.121 12.247 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.927 -0.703 12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.277 0.984 12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.530 0.900 10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.263 1.145 10.575 1.00 0.00 H new ATOM 605 N ASP A 37 15.099 1.771 13.676 1.00 0.00 N ATOM 606 CA ASP A 37 15.670 3.153 13.619 1.00 0.00 C ATOM 607 C ASP A 37 16.829 3.312 12.589 1.00 0.00 C ATOM 608 O ASP A 37 17.988 2.970 12.843 1.00 0.00 O ATOM 609 CB ASP A 37 16.086 3.626 15.046 1.00 0.00 C ATOM 610 CG ASP A 37 17.225 2.813 15.694 1.00 0.00 C ATOM 611 OD1 ASP A 37 17.067 1.590 15.881 1.00 0.00 O ATOM 612 OD2 ASP A 37 18.274 3.397 16.039 1.00 0.00 O ATOM 0 H ASP A 37 14.806 1.506 14.616 1.00 0.00 H new ATOM 0 HA ASP A 37 14.878 3.806 13.251 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.391 4.671 14.992 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.212 3.582 15.696 1.00 0.00 H new ATOM 617 N THR A 38 16.466 3.796 11.395 1.00 0.00 N ATOM 618 CA THR A 38 17.352 3.859 10.227 1.00 0.00 C ATOM 619 C THR A 38 17.523 5.325 9.783 1.00 0.00 C ATOM 620 O THR A 38 16.588 6.113 9.850 1.00 0.00 O ATOM 621 CB THR A 38 16.771 2.973 9.070 1.00 0.00 C ATOM 622 OG1 THR A 38 17.629 3.003 7.922 1.00 0.00 O ATOM 623 CG2 THR A 38 15.338 3.388 8.662 1.00 0.00 C ATOM 0 H THR A 38 15.532 4.161 11.211 1.00 0.00 H new ATOM 0 HA THR A 38 18.335 3.468 10.489 1.00 0.00 H new ATOM 0 HB THR A 38 16.721 1.956 9.459 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.317 3.691 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.987 2.741 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.673 3.293 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.343 4.423 8.319 1.00 0.00 H new ATOM 631 N TRP A 39 18.730 5.674 9.327 1.00 0.00 N ATOM 632 CA TRP A 39 19.116 7.070 9.026 1.00 0.00 C ATOM 633 C TRP A 39 18.803 7.404 7.557 1.00 0.00 C ATOM 634 O TRP A 39 19.482 6.939 6.632 1.00 0.00 O ATOM 635 CB TRP A 39 20.617 7.314 9.389 1.00 0.00 C ATOM 636 CG TRP A 39 21.588 6.258 8.881 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.343 6.302 7.741 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.903 5.003 9.512 1.00 0.00 C ATOM 639 NE1 TRP A 39 23.089 5.159 7.623 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.839 4.347 8.695 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.474 4.369 10.685 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.359 3.095 9.009 1.00 0.00 C ATOM 643 CZ3 TRP A 39 21.990 3.128 10.998 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.923 2.500 10.163 1.00 0.00 C ATOM 0 H TRP A 39 19.475 4.999 9.153 1.00 0.00 H new ATOM 0 HA TRP A 39 18.527 7.748 9.643 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.918 8.283 8.990 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.706 7.375 10.474 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.350 7.120 7.036 1.00 0.00 H new ATOM 0 HE1 TRP A 39 23.729 4.947 6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.752 4.843 11.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 24.080 2.611 8.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.669 2.632 11.902 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.306 1.527 10.435 1.00 0.00 H new ATOM 655 N GLU A 40 17.714 8.154 7.351 1.00 0.00 N ATOM 656 CA GLU A 40 17.268 8.583 6.019 1.00 0.00 C ATOM 657 C GLU A 40 17.633 10.066 5.821 1.00 0.00 C ATOM 658 O GLU A 40 17.472 10.853 6.754 1.00 0.00 O ATOM 659 CB GLU A 40 15.736 8.370 5.871 1.00 0.00 C ATOM 660 CG GLU A 40 15.254 6.924 6.151 1.00 0.00 C ATOM 661 CD GLU A 40 15.997 5.858 5.320 1.00 0.00 C ATOM 662 OE1 GLU A 40 15.738 5.755 4.105 1.00 0.00 O ATOM 663 OE2 GLU A 40 16.855 5.126 5.871 1.00 0.00 O ATOM 0 H GLU A 40 17.114 8.482 8.107 1.00 0.00 H new ATOM 0 HA GLU A 40 17.766 7.986 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.221 9.048 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.440 8.648 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.385 6.704 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.186 6.858 5.941 1.00 0.00 H new ATOM 670 N PRO A 41 18.138 10.473 4.608 1.00 0.00 N ATOM 671 CA PRO A 41 18.517 11.881 4.317 1.00 0.00 C ATOM 672 C PRO A 41 17.320 12.838 4.452 1.00 0.00 C ATOM 673 O PRO A 41 16.182 12.449 4.165 1.00 0.00 O ATOM 674 CB PRO A 41 19.032 11.827 2.852 1.00 0.00 C ATOM 675 CG PRO A 41 18.442 10.574 2.286 1.00 0.00 C ATOM 676 CD PRO A 41 18.383 9.597 3.433 1.00 0.00 C ATOM 0 HA PRO A 41 19.261 12.262 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 41 18.714 12.704 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.121 11.803 2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.448 10.759 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.054 10.186 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.584 8.867 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.313 9.037 3.534 1.00 0.00 H new ATOM 684 N GLU A 42 17.605 14.074 4.892 1.00 0.00 N ATOM 685 CA GLU A 42 16.589 15.121 5.099 1.00 0.00 C ATOM 686 C GLU A 42 15.759 15.368 3.825 1.00 0.00 C ATOM 687 O GLU A 42 14.538 15.353 3.850 1.00 0.00 O ATOM 688 CB GLU A 42 17.272 16.439 5.539 1.00 0.00 C ATOM 689 CG GLU A 42 16.307 17.624 5.733 1.00 0.00 C ATOM 690 CD GLU A 42 17.013 18.898 6.206 1.00 0.00 C ATOM 691 OE1 GLU A 42 17.522 19.658 5.354 1.00 0.00 O ATOM 692 OE2 GLU A 42 17.069 19.137 7.428 1.00 0.00 O ATOM 0 H GLU A 42 18.553 14.378 5.116 1.00 0.00 H new ATOM 0 HA GLU A 42 15.912 14.777 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.804 16.263 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.019 16.713 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.795 17.827 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.542 17.348 6.459 1.00 0.00 H new ATOM 699 N HIS A 43 16.442 15.532 2.695 1.00 0.00 N ATOM 700 CA HIS A 43 15.791 15.922 1.432 1.00 0.00 C ATOM 701 C HIS A 43 15.110 14.718 0.731 1.00 0.00 C ATOM 702 O HIS A 43 14.706 14.836 -0.434 1.00 0.00 O ATOM 703 CB HIS A 43 16.828 16.612 0.507 1.00 0.00 C ATOM 704 CG HIS A 43 17.406 17.883 1.089 1.00 0.00 C ATOM 705 ND1 HIS A 43 17.037 19.138 0.664 1.00 0.00 N ATOM 706 CD2 HIS A 43 18.341 18.083 2.051 1.00 0.00 C ATOM 707 CE1 HIS A 43 17.701 20.045 1.345 1.00 0.00 C ATOM 708 NE2 HIS A 43 18.499 19.437 2.194 1.00 0.00 N ATOM 0 H HIS A 43 17.451 15.402 2.621 1.00 0.00 H new ATOM 0 HA HIS A 43 14.994 16.630 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.640 15.914 0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.355 16.842 -0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.865 17.316 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.606 21.114 1.226 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.131 19.896 2.850 1.00 0.00 H new ATOM 717 N HIS A 44 14.969 13.563 1.437 1.00 0.00 N ATOM 718 CA HIS A 44 14.235 12.397 0.907 1.00 0.00 C ATOM 719 C HIS A 44 13.350 11.732 1.992 1.00 0.00 C ATOM 720 O HIS A 44 12.611 10.803 1.661 1.00 0.00 O ATOM 721 CB HIS A 44 15.240 11.373 0.307 1.00 0.00 C ATOM 722 CG HIS A 44 14.619 10.306 -0.570 1.00 0.00 C ATOM 723 ND1 HIS A 44 14.063 9.152 -0.070 1.00 0.00 N ATOM 724 CD2 HIS A 44 14.504 10.212 -1.917 1.00 0.00 C ATOM 725 CE1 HIS A 44 13.636 8.402 -1.061 1.00 0.00 C ATOM 726 NE2 HIS A 44 13.886 9.020 -2.193 1.00 0.00 N ATOM 0 H HIS A 44 15.355 13.422 2.370 1.00 0.00 H new ATOM 0 HA HIS A 44 13.566 12.745 0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 44 15.983 11.916 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.771 10.886 1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.838 10.942 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.159 7.438 -0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 44 13.658 8.671 -3.124 1.00 0.00 H new ATOM 735 N LEU A 45 13.379 12.225 3.269 1.00 0.00 N ATOM 736 CA LEU A 45 12.797 11.449 4.409 1.00 0.00 C ATOM 737 C LEU A 45 11.257 11.255 4.258 1.00 0.00 C ATOM 738 O LEU A 45 10.760 10.125 4.294 1.00 0.00 O ATOM 739 CB LEU A 45 13.170 12.059 5.817 1.00 0.00 C ATOM 740 CG LEU A 45 12.264 13.208 6.417 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.598 13.487 7.889 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.338 14.516 5.612 1.00 0.00 C ATOM 0 H LEU A 45 13.784 13.124 3.528 1.00 0.00 H new ATOM 0 HA LEU A 45 13.256 10.461 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.184 11.241 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.188 12.443 5.750 1.00 0.00 H new ATOM 0 HG LEU A 45 11.242 12.835 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.954 14.282 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.437 12.583 8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.640 13.794 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.695 15.265 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.366 14.878 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.006 14.334 4.590 1.00 0.00 H new ATOM 754 N LEU A 46 10.536 12.368 4.016 1.00 0.00 N ATOM 755 CA LEU A 46 9.054 12.444 3.993 1.00 0.00 C ATOM 756 C LEU A 46 8.627 13.663 3.154 1.00 0.00 C ATOM 757 O LEU A 46 9.295 14.700 3.172 1.00 0.00 O ATOM 758 CB LEU A 46 8.407 12.563 5.442 1.00 0.00 C ATOM 759 CG LEU A 46 8.067 11.235 6.216 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.500 10.161 5.266 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.245 10.711 7.081 1.00 0.00 C ATOM 0 H LEU A 46 10.978 13.267 3.825 1.00 0.00 H new ATOM 0 HA LEU A 46 8.694 11.512 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.087 13.146 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.487 13.139 5.349 1.00 0.00 H new ATOM 0 HG LEU A 46 7.281 11.482 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.276 9.257 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.588 10.533 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.235 9.933 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.945 9.794 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.104 10.508 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.515 11.463 7.822 1.00 0.00 H new ATOM 773 N HIS A 47 7.474 13.543 2.470 1.00 0.00 N ATOM 774 CA HIS A 47 6.877 14.644 1.665 1.00 0.00 C ATOM 775 C HIS A 47 6.115 15.660 2.548 1.00 0.00 C ATOM 776 O HIS A 47 5.580 16.654 2.041 1.00 0.00 O ATOM 777 CB HIS A 47 5.937 14.059 0.575 1.00 0.00 C ATOM 778 CG HIS A 47 4.768 13.251 1.092 1.00 0.00 C ATOM 779 ND1 HIS A 47 3.480 13.742 1.143 1.00 0.00 N ATOM 780 CD2 HIS A 47 4.690 11.968 1.529 1.00 0.00 C ATOM 781 CE1 HIS A 47 2.668 12.804 1.582 1.00 0.00 C ATOM 782 NE2 HIS A 47 3.374 11.718 1.821 1.00 0.00 N ATOM 0 H HIS A 47 6.924 12.684 2.455 1.00 0.00 H new ATOM 0 HA HIS A 47 7.694 15.182 1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.550 14.881 -0.027 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.527 13.428 -0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.511 11.274 1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.602 12.907 1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.002 10.834 2.167 1.00 0.00 H new ATOM 791 N CYS A 48 6.087 15.405 3.867 1.00 0.00 N ATOM 792 CA CYS A 48 5.348 16.221 4.843 1.00 0.00 C ATOM 793 C CYS A 48 6.285 16.669 5.987 1.00 0.00 C ATOM 794 O CYS A 48 6.856 15.826 6.697 1.00 0.00 O ATOM 795 CB CYS A 48 4.170 15.395 5.395 1.00 0.00 C ATOM 796 SG CYS A 48 3.009 14.815 4.145 1.00 0.00 S ATOM 0 H CYS A 48 6.582 14.619 4.289 1.00 0.00 H new ATOM 0 HA CYS A 48 4.963 17.117 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.567 14.533 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.628 16.000 6.122 1.00 0.00 H new ATOM 0 HG CYS A 48 3.630 14.662 3.013 1.00 0.00 H new ATOM 802 N GLU A 49 6.425 18.002 6.162 1.00 0.00 N ATOM 803 CA GLU A 49 7.293 18.600 7.208 1.00 0.00 C ATOM 804 C GLU A 49 6.697 18.406 8.631 1.00 0.00 C ATOM 805 O GLU A 49 7.389 18.627 9.632 1.00 0.00 O ATOM 806 CB GLU A 49 7.546 20.108 6.917 1.00 0.00 C ATOM 807 CG GLU A 49 8.646 20.765 7.788 1.00 0.00 C ATOM 808 CD GLU A 49 8.939 22.237 7.429 1.00 0.00 C ATOM 809 OE1 GLU A 49 8.156 23.128 7.828 1.00 0.00 O ATOM 810 OE2 GLU A 49 9.948 22.514 6.749 1.00 0.00 O ATOM 0 H GLU A 49 5.943 18.693 5.587 1.00 0.00 H new ATOM 0 HA GLU A 49 8.249 18.076 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.819 20.220 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.613 20.653 7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.347 20.710 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.566 20.188 7.689 1.00 0.00 H new ATOM 817 N GLU A 50 5.407 17.996 8.700 1.00 0.00 N ATOM 818 CA GLU A 50 4.705 17.714 9.973 1.00 0.00 C ATOM 819 C GLU A 50 5.474 16.668 10.816 1.00 0.00 C ATOM 820 O GLU A 50 5.598 16.820 12.035 1.00 0.00 O ATOM 821 CB GLU A 50 3.240 17.269 9.697 1.00 0.00 C ATOM 822 CG GLU A 50 3.103 15.971 8.883 1.00 0.00 C ATOM 823 CD GLU A 50 1.658 15.674 8.451 1.00 0.00 C ATOM 824 OE1 GLU A 50 0.888 15.106 9.253 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.284 16.008 7.299 1.00 0.00 O ATOM 0 H GLU A 50 4.826 17.852 7.874 1.00 0.00 H new ATOM 0 HA GLU A 50 4.670 18.632 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.729 17.139 10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.726 18.070 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.733 16.038 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.476 15.137 9.477 1.00 0.00 H new ATOM 832 N PHE A 51 6.060 15.664 10.129 1.00 0.00 N ATOM 833 CA PHE A 51 6.891 14.624 10.760 1.00 0.00 C ATOM 834 C PHE A 51 8.133 15.245 11.431 1.00 0.00 C ATOM 835 O PHE A 51 8.471 14.900 12.564 1.00 0.00 O ATOM 836 CB PHE A 51 7.313 13.549 9.720 1.00 0.00 C ATOM 837 CG PHE A 51 6.155 12.699 9.201 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.396 13.109 8.110 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.827 11.488 9.810 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.347 12.340 7.647 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.778 10.722 9.349 1.00 0.00 C ATOM 842 CZ PHE A 51 4.039 11.145 8.265 1.00 0.00 C ATOM 0 H PHE A 51 5.968 15.554 9.119 1.00 0.00 H new ATOM 0 HA PHE A 51 6.294 14.138 11.532 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.794 14.044 8.876 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.057 12.894 10.172 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.630 14.042 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.404 11.145 10.656 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.766 12.674 6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.535 9.790 9.837 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.220 10.542 7.900 1.00 0.00 H new ATOM 852 N ILE A 52 8.778 16.209 10.742 1.00 0.00 N ATOM 853 CA ILE A 52 9.977 16.911 11.267 1.00 0.00 C ATOM 854 C ILE A 52 9.593 17.688 12.543 1.00 0.00 C ATOM 855 O ILE A 52 10.317 17.660 13.559 1.00 0.00 O ATOM 856 CB ILE A 52 10.639 17.875 10.190 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.248 17.067 8.982 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.720 18.791 10.824 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.244 16.425 8.035 1.00 0.00 C ATOM 0 H ILE A 52 8.490 16.523 9.815 1.00 0.00 H new ATOM 0 HA ILE A 52 10.730 16.161 11.507 1.00 0.00 H new ATOM 0 HB ILE A 52 9.840 18.509 9.807 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.884 17.739 8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.892 16.284 9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.148 19.434 10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.266 19.406 11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.506 18.176 11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.776 15.897 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.622 15.720 8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.614 17.198 7.595 1.00 0.00 H new ATOM 871 N ASP A 53 8.382 18.279 12.507 1.00 0.00 N ATOM 872 CA ASP A 53 7.837 19.055 13.633 1.00 0.00 C ATOM 873 C ASP A 53 7.544 18.102 14.808 1.00 0.00 C ATOM 874 O ASP A 53 7.787 18.443 15.973 1.00 0.00 O ATOM 875 CB ASP A 53 6.558 19.826 13.206 1.00 0.00 C ATOM 876 CG ASP A 53 5.972 20.722 14.324 1.00 0.00 C ATOM 877 OD1 ASP A 53 6.623 21.721 14.699 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.850 20.459 14.810 1.00 0.00 O ATOM 0 H ASP A 53 7.759 18.231 11.701 1.00 0.00 H new ATOM 0 HA ASP A 53 8.571 19.796 13.949 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.790 20.445 12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.800 19.109 12.892 1.00 0.00 H new ATOM 883 N GLU A 54 7.116 16.857 14.460 1.00 0.00 N ATOM 884 CA GLU A 54 6.778 15.804 15.440 1.00 0.00 C ATOM 885 C GLU A 54 8.042 15.438 16.231 1.00 0.00 C ATOM 886 O GLU A 54 7.969 15.261 17.448 1.00 0.00 O ATOM 887 CB GLU A 54 6.121 14.543 14.748 1.00 0.00 C ATOM 888 CG GLU A 54 6.941 13.229 14.810 1.00 0.00 C ATOM 889 CD GLU A 54 6.311 12.065 14.042 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.312 11.492 14.539 1.00 0.00 O ATOM 891 OE2 GLU A 54 6.805 11.719 12.948 1.00 0.00 O ATOM 0 H GLU A 54 6.998 16.562 13.491 1.00 0.00 H new ATOM 0 HA GLU A 54 6.027 16.186 16.131 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.150 14.364 15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.936 14.783 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.938 13.416 14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.064 12.938 15.853 1.00 0.00 H new ATOM 898 N PHE A 55 9.210 15.413 15.527 1.00 0.00 N ATOM 899 CA PHE A 55 10.518 15.136 16.148 1.00 0.00 C ATOM 900 C PHE A 55 10.801 16.199 17.217 1.00 0.00 C ATOM 901 O PHE A 55 11.080 15.863 18.380 1.00 0.00 O ATOM 902 CB PHE A 55 11.658 15.093 15.081 1.00 0.00 C ATOM 903 CG PHE A 55 13.081 15.266 15.637 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.593 14.396 16.601 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.896 16.320 15.210 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.862 14.579 17.120 1.00 0.00 C ATOM 907 CE2 PHE A 55 15.167 16.490 15.725 1.00 0.00 C ATOM 908 CZ PHE A 55 15.650 15.618 16.680 1.00 0.00 C ATOM 0 H PHE A 55 9.261 15.584 14.523 1.00 0.00 H new ATOM 0 HA PHE A 55 10.487 14.153 16.617 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.604 14.141 14.553 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.475 15.876 14.345 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.990 13.569 16.946 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.526 17.011 14.467 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.236 13.903 17.874 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.784 17.307 15.380 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.644 15.751 17.081 1.00 0.00 H new ATOM 918 N ASN A 56 10.604 17.473 16.828 1.00 0.00 N ATOM 919 CA ASN A 56 10.894 18.631 17.692 1.00 0.00 C ATOM 920 C ASN A 56 9.975 18.609 18.935 1.00 0.00 C ATOM 921 O ASN A 56 10.339 19.105 20.012 1.00 0.00 O ATOM 922 CB ASN A 56 10.717 19.945 16.885 1.00 0.00 C ATOM 923 CG ASN A 56 11.163 21.199 17.646 1.00 0.00 C ATOM 924 OD1 ASN A 56 12.323 21.601 17.573 1.00 0.00 O ATOM 925 ND2 ASN A 56 10.252 21.814 18.389 1.00 0.00 N ATOM 0 H ASN A 56 10.241 17.727 15.909 1.00 0.00 H new ATOM 0 HA ASN A 56 11.927 18.578 18.037 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.286 19.871 15.958 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.668 20.053 16.608 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.505 22.646 18.921 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.298 21.455 18.428 1.00 0.00 H new ATOM 932 N GLY A 57 8.798 17.973 18.773 1.00 0.00 N ATOM 933 CA GLY A 57 7.827 17.829 19.845 1.00 0.00 C ATOM 934 C GLY A 57 8.155 16.679 20.797 1.00 0.00 C ATOM 935 O GLY A 57 8.133 16.866 22.019 1.00 0.00 O ATOM 0 H GLY A 57 8.506 17.550 17.892 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.778 18.759 20.411 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.839 17.666 19.414 1.00 0.00 H new ATOM 939 N LEU A 58 8.529 15.498 20.239 1.00 0.00 N ATOM 940 CA LEU A 58 8.679 14.249 21.033 1.00 0.00 C ATOM 941 C LEU A 58 10.028 14.225 21.763 1.00 0.00 C ATOM 942 O LEU A 58 10.178 13.560 22.791 1.00 0.00 O ATOM 943 CB LEU A 58 8.446 12.962 20.154 1.00 0.00 C ATOM 944 CG LEU A 58 9.342 12.731 18.872 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.783 12.250 19.190 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.641 11.766 17.880 1.00 0.00 C ATOM 0 H LEU A 58 8.732 15.384 19.246 1.00 0.00 H new ATOM 0 HA LEU A 58 7.899 14.240 21.794 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.571 12.095 20.802 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.405 12.970 19.830 1.00 0.00 H new ATOM 0 HG LEU A 58 9.454 13.709 18.404 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.335 12.114 18.260 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.288 12.995 19.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.740 11.303 19.728 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.274 11.621 17.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.469 10.806 18.367 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.687 12.192 17.570 1.00 0.00 H new ATOM 958 N HIS A 59 11.005 14.961 21.211 1.00 0.00 N ATOM 959 CA HIS A 59 12.338 15.112 21.809 1.00 0.00 C ATOM 960 C HIS A 59 12.320 16.246 22.866 1.00 0.00 C ATOM 961 O HIS A 59 13.287 16.401 23.630 1.00 0.00 O ATOM 962 CB HIS A 59 13.392 15.388 20.696 1.00 0.00 C ATOM 963 CG HIS A 59 14.811 15.187 21.152 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.525 16.141 21.832 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.624 14.115 21.060 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.709 15.663 22.146 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.799 14.435 21.685 1.00 0.00 N ATOM 0 H HIS A 59 10.891 15.469 20.334 1.00 0.00 H new ATOM 0 HA HIS A 59 12.616 14.187 22.314 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.194 14.732 19.848 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.274 16.412 20.341 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.391 13.176 20.581 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.478 16.190 22.691 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.609 13.823 21.778 1.00 0.00 H new ATOM 976 N MET A 60 11.195 17.020 22.895 1.00 0.00 N ATOM 977 CA MET A 60 10.986 18.158 23.815 1.00 0.00 C ATOM 978 C MET A 60 12.075 19.224 23.573 1.00 0.00 C ATOM 979 O MET A 60 12.984 19.417 24.380 1.00 0.00 O ATOM 980 CB MET A 60 10.908 17.667 25.301 1.00 0.00 C ATOM 981 CG MET A 60 10.573 18.753 26.334 1.00 0.00 C ATOM 982 SD MET A 60 9.027 19.627 25.981 1.00 0.00 S ATOM 983 CE MET A 60 7.817 18.304 25.968 1.00 0.00 C ATOM 0 H MET A 60 10.405 16.862 22.270 1.00 0.00 H new ATOM 0 HA MET A 60 10.025 18.631 23.611 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.156 16.881 25.368 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.864 17.217 25.568 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.507 18.297 27.322 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.390 19.474 26.370 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.814 18.729 25.922 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.982 17.668 25.098 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.918 17.710 26.876 1.00 0.00 H new ATOM 993 N SER A 61 12.004 19.854 22.392 1.00 0.00 N ATOM 994 CA SER A 61 13.071 20.717 21.864 1.00 0.00 C ATOM 995 C SER A 61 12.567 22.156 21.675 1.00 0.00 C ATOM 996 O SER A 61 11.705 22.416 20.830 1.00 0.00 O ATOM 997 CB SER A 61 13.574 20.116 20.531 1.00 0.00 C ATOM 998 OG SER A 61 13.903 18.739 20.695 1.00 0.00 O ATOM 0 H SER A 61 11.198 19.779 21.771 1.00 0.00 H new ATOM 0 HA SER A 61 13.897 20.761 22.574 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.806 20.223 19.765 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.449 20.666 20.185 1.00 0.00 H new ATOM 0 HG SER A 61 14.218 18.374 19.842 1.00 0.00 H new ATOM 1004 N LYS A 62 13.096 23.074 22.493 1.00 0.00 N ATOM 1005 CA LYS A 62 12.841 24.511 22.371 1.00 0.00 C ATOM 1006 C LYS A 62 13.746 25.048 21.248 1.00 0.00 C ATOM 1007 O LYS A 62 14.942 25.279 21.457 1.00 0.00 O ATOM 1008 CB LYS A 62 13.083 25.213 23.750 1.00 0.00 C ATOM 1009 CG LYS A 62 12.561 26.674 23.874 1.00 0.00 C ATOM 1010 CD LYS A 62 13.455 27.723 23.171 1.00 0.00 C ATOM 1011 CE LYS A 62 12.888 29.146 23.246 1.00 0.00 C ATOM 1012 NZ LYS A 62 13.711 30.107 22.468 1.00 0.00 N ATOM 0 H LYS A 62 13.719 22.836 23.265 1.00 0.00 H new ATOM 0 HA LYS A 62 11.804 24.719 22.106 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.612 24.613 24.528 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.154 25.213 23.952 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.557 26.727 23.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.478 26.931 24.930 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.446 27.709 23.625 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.579 27.443 22.125 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.866 29.151 22.866 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.843 29.465 24.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.297 31.058 22.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.680 30.120 22.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.733 29.816 21.470 1.00 0.00 H new ATOM 1026 N ASP A 63 13.164 25.208 20.053 1.00 0.00 N ATOM 1027 CA ASP A 63 13.875 25.673 18.851 1.00 0.00 C ATOM 1028 C ASP A 63 12.988 26.677 18.093 1.00 0.00 C ATOM 1029 O ASP A 63 11.842 26.364 17.746 1.00 0.00 O ATOM 1030 CB ASP A 63 14.235 24.454 17.956 1.00 0.00 C ATOM 1031 CG ASP A 63 14.923 24.838 16.633 1.00 0.00 C ATOM 1032 OD1 ASP A 63 16.119 25.197 16.654 1.00 0.00 O ATOM 1033 OD2 ASP A 63 14.264 24.812 15.569 1.00 0.00 O ATOM 0 H ASP A 63 12.176 25.017 19.890 1.00 0.00 H new ATOM 0 HA ASP A 63 14.801 26.174 19.132 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.890 23.785 18.515 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.325 23.897 17.733 1.00 0.00 H new ATOM 1038 N LYS A 64 13.523 27.882 17.827 1.00 0.00 N ATOM 1039 CA LYS A 64 12.782 28.960 17.154 1.00 0.00 C ATOM 1040 C LYS A 64 13.787 29.918 16.471 1.00 0.00 C ATOM 1041 O LYS A 64 13.799 30.001 15.223 1.00 0.00 O ATOM 1042 CB LYS A 64 11.880 29.721 18.174 1.00 0.00 C ATOM 1043 CG LYS A 64 10.860 30.696 17.536 1.00 0.00 C ATOM 1044 CD LYS A 64 9.769 29.966 16.710 1.00 0.00 C ATOM 1045 CE LYS A 64 8.910 29.008 17.566 1.00 0.00 C ATOM 1046 NZ LYS A 64 7.864 28.323 16.767 1.00 0.00 N ATOM 1047 OXT LYS A 64 14.602 30.536 17.186 1.00 0.00 O ATOM 0 H LYS A 64 14.480 28.134 18.073 1.00 0.00 H new ATOM 0 HA LYS A 64 12.128 28.535 16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.337 28.990 18.774 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.520 30.281 18.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.383 31.282 18.322 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.389 31.398 16.891 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.121 30.705 16.239 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.244 29.402 15.908 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.555 28.263 18.031 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.438 29.569 18.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.314 27.692 17.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.231 29.031 16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.313 27.765 16.013 1.00 0.00 H new TER 1061 LYS A 64