USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=18 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 47 HIS : no HE2:sc= 1.02 K(o=1.8,f=-5.7!) USER MOD Set 1.2: A 48 CYS SG : rot 180:sc= 0.831 USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0.793 (180deg=0.772) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= -0.0616 (180deg=-0.435) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 1.38 (180deg=-0.205) USER MOD Single : A 18 ASN : amide:sc= -1.39 K(o=-1.4,f=-9.9!) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0173 (180deg=-0.151) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0303) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 3:sc= 0.0524 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 0.305 (180deg=0.217) 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 -32:sc= 0.206 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.5) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 60 MET CE :methyl -143:sc= 0 (180deg=-0.695) USER MOD Single : A 61 SER OG : rot 51:sc= 0.273 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= -0.016 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.923 2.466 3.431 1.00 0.00 N ATOM 2 CA GLY A 1 2.837 1.321 3.232 1.00 0.00 C ATOM 3 C GLY A 1 3.310 1.223 1.799 1.00 0.00 C ATOM 4 O GLY A 1 2.575 1.614 0.881 1.00 0.00 O ATOM 0 H1 GLY A 1 1.688 2.551 4.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.386 3.340 3.109 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.052 2.314 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.698 1.424 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.329 0.398 3.511 1.00 0.00 H new ATOM 10 N ALA A 2 4.558 0.738 1.623 1.00 0.00 N ATOM 11 CA ALA A 2 5.170 0.460 0.307 1.00 0.00 C ATOM 12 C ALA A 2 5.197 1.709 -0.615 1.00 0.00 C ATOM 13 O ALA A 2 5.038 1.599 -1.838 1.00 0.00 O ATOM 14 CB ALA A 2 4.461 -0.743 -0.359 1.00 0.00 C ATOM 0 H ALA A 2 5.178 0.525 2.405 1.00 0.00 H new ATOM 0 HA ALA A 2 6.215 0.197 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.917 -0.943 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.561 -1.622 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.404 -0.513 -0.495 1.00 0.00 H new ATOM 20 N SER A 3 5.433 2.898 -0.022 1.00 0.00 N ATOM 21 CA SER A 3 5.469 4.179 -0.767 1.00 0.00 C ATOM 22 C SER A 3 6.885 4.424 -1.361 1.00 0.00 C ATOM 23 O SER A 3 7.570 5.402 -1.019 1.00 0.00 O ATOM 24 CB SER A 3 5.015 5.341 0.164 1.00 0.00 C ATOM 25 OG SER A 3 3.739 5.075 0.741 1.00 0.00 O ATOM 0 H SER A 3 5.603 3.000 0.979 1.00 0.00 H new ATOM 0 HA SER A 3 4.775 4.132 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.751 5.485 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.973 6.270 -0.405 1.00 0.00 H new ATOM 0 HG SER A 3 3.481 5.821 1.322 1.00 0.00 H new ATOM 31 N GLY A 4 7.302 3.507 -2.256 1.00 0.00 N ATOM 32 CA GLY A 4 8.607 3.569 -2.918 1.00 0.00 C ATOM 33 C GLY A 4 9.768 3.237 -1.981 1.00 0.00 C ATOM 34 O GLY A 4 9.749 2.205 -1.310 1.00 0.00 O ATOM 0 H GLY A 4 6.738 2.704 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.615 2.875 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.753 4.568 -3.329 1.00 0.00 H new ATOM 38 N ASP A 5 10.763 4.136 -1.923 1.00 0.00 N ATOM 39 CA ASP A 5 11.941 4.003 -1.035 1.00 0.00 C ATOM 40 C ASP A 5 11.544 4.202 0.451 1.00 0.00 C ATOM 41 O ASP A 5 12.233 3.740 1.366 1.00 0.00 O ATOM 42 CB ASP A 5 13.014 5.035 -1.475 1.00 0.00 C ATOM 43 CG ASP A 5 14.316 4.979 -0.648 1.00 0.00 C ATOM 44 OD1 ASP A 5 14.997 3.929 -0.667 1.00 0.00 O ATOM 45 OD2 ASP A 5 14.661 5.979 0.022 1.00 0.00 O ATOM 0 H ASP A 5 10.778 4.982 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 5 12.351 2.997 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.255 4.868 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.591 6.037 -1.401 1.00 0.00 H new ATOM 50 N LEU A 6 10.400 4.865 0.657 1.00 0.00 N ATOM 51 CA LEU A 6 9.867 5.219 1.967 1.00 0.00 C ATOM 52 C LEU A 6 8.712 4.261 2.260 1.00 0.00 C ATOM 53 O LEU A 6 7.562 4.547 1.929 1.00 0.00 O ATOM 54 CB LEU A 6 9.383 6.692 1.955 1.00 0.00 C ATOM 55 CG LEU A 6 10.414 7.741 1.452 1.00 0.00 C ATOM 56 CD1 LEU A 6 9.788 9.151 1.363 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.681 7.742 2.333 1.00 0.00 C ATOM 0 H LEU A 6 9.805 5.177 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 6 10.628 5.132 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.493 6.757 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.082 6.963 2.967 1.00 0.00 H new ATOM 0 HG LEU A 6 10.712 7.454 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.536 9.860 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.948 9.133 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.438 9.457 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.384 8.485 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.410 7.985 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.145 6.756 2.304 1.00 0.00 H new ATOM 69 N TYR A 7 9.075 3.086 2.782 1.00 0.00 N ATOM 70 CA TYR A 7 8.154 1.967 3.104 1.00 0.00 C ATOM 71 C TYR A 7 6.878 2.463 3.841 1.00 0.00 C ATOM 72 O TYR A 7 5.855 2.720 3.195 1.00 0.00 O ATOM 73 CB TYR A 7 8.917 0.904 3.940 1.00 0.00 C ATOM 74 CG TYR A 7 10.059 0.196 3.193 1.00 0.00 C ATOM 75 CD1 TYR A 7 11.278 0.838 2.965 1.00 0.00 C ATOM 76 CD2 TYR A 7 9.920 -1.113 2.716 1.00 0.00 C ATOM 77 CE1 TYR A 7 12.309 0.207 2.299 1.00 0.00 C ATOM 78 CE2 TYR A 7 10.954 -1.746 2.053 1.00 0.00 C ATOM 79 CZ TYR A 7 12.144 -1.085 1.846 1.00 0.00 C ATOM 80 OH TYR A 7 13.178 -1.722 1.191 1.00 0.00 O ATOM 0 H TYR A 7 10.047 2.870 3.003 1.00 0.00 H new ATOM 0 HA TYR A 7 7.814 1.513 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.326 1.386 4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.206 0.153 4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 7 11.417 1.849 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.988 -1.637 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.243 0.724 2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.829 -2.758 1.698 1.00 0.00 H new ATOM 0 HH TYR A 7 12.898 -2.627 0.939 1.00 0.00 H new ATOM 90 N GLU A 8 6.944 2.599 5.179 1.00 0.00 N ATOM 91 CA GLU A 8 5.943 3.331 5.967 1.00 0.00 C ATOM 92 C GLU A 8 6.594 3.781 7.265 1.00 0.00 C ATOM 93 O GLU A 8 6.910 2.945 8.115 1.00 0.00 O ATOM 94 CB GLU A 8 4.672 2.488 6.277 1.00 0.00 C ATOM 95 CG GLU A 8 3.636 3.249 7.135 1.00 0.00 C ATOM 96 CD GLU A 8 2.301 2.516 7.323 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.641 2.194 6.318 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.899 2.264 8.473 1.00 0.00 O ATOM 0 H GLU A 8 7.696 2.202 5.742 1.00 0.00 H new ATOM 0 HA GLU A 8 5.608 4.183 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.206 2.185 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.966 1.576 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.069 3.445 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.442 4.217 6.673 1.00 0.00 H new ATOM 105 N VAL A 9 6.811 5.094 7.408 1.00 0.00 N ATOM 106 CA VAL A 9 7.379 5.655 8.630 1.00 0.00 C ATOM 107 C VAL A 9 6.335 5.569 9.761 1.00 0.00 C ATOM 108 O VAL A 9 5.177 5.966 9.593 1.00 0.00 O ATOM 109 CB VAL A 9 7.896 7.136 8.417 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.885 7.201 7.217 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.741 8.151 8.233 1.00 0.00 C ATOM 0 H VAL A 9 6.600 5.785 6.688 1.00 0.00 H new ATOM 0 HA VAL A 9 8.254 5.069 8.912 1.00 0.00 H new ATOM 0 HB VAL A 9 8.423 7.423 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.230 8.226 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.739 6.553 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.379 6.869 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.154 9.150 8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.150 7.875 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.106 8.144 9.119 1.00 0.00 H new ATOM 121 N GLU A 10 6.723 4.949 10.873 1.00 0.00 N ATOM 122 CA GLU A 10 5.920 4.939 12.093 1.00 0.00 C ATOM 123 C GLU A 10 5.938 6.355 12.688 1.00 0.00 C ATOM 124 O GLU A 10 4.878 6.932 12.961 1.00 0.00 O ATOM 125 CB GLU A 10 6.481 3.889 13.076 1.00 0.00 C ATOM 126 CG GLU A 10 5.633 3.682 14.337 1.00 0.00 C ATOM 127 CD GLU A 10 6.129 2.533 15.225 1.00 0.00 C ATOM 128 OE1 GLU A 10 6.282 1.405 14.716 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.356 2.746 16.430 1.00 0.00 O ATOM 0 H GLU A 10 7.603 4.439 10.954 1.00 0.00 H new ATOM 0 HA GLU A 10 4.887 4.661 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.574 2.936 12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.486 4.189 13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.629 4.604 14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.602 3.485 14.044 1.00 0.00 H new ATOM 136 N ARG A 11 7.164 6.914 12.810 1.00 0.00 N ATOM 137 CA ARG A 11 7.409 8.327 13.201 1.00 0.00 C ATOM 138 C ARG A 11 8.925 8.586 13.258 1.00 0.00 C ATOM 139 O ARG A 11 9.725 7.660 13.060 1.00 0.00 O ATOM 140 CB ARG A 11 6.741 8.688 14.570 1.00 0.00 C ATOM 141 CG ARG A 11 7.450 8.127 15.820 1.00 0.00 C ATOM 142 CD ARG A 11 6.611 8.270 17.106 1.00 0.00 C ATOM 143 NE ARG A 11 6.107 9.646 17.305 1.00 0.00 N ATOM 144 CZ ARG A 11 5.493 10.106 18.405 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.368 9.359 19.491 1.00 0.00 N ATOM 146 NH2 ARG A 11 5.020 11.340 18.403 1.00 0.00 N ATOM 0 H ARG A 11 8.023 6.392 12.638 1.00 0.00 H new ATOM 0 HA ARG A 11 6.952 8.968 12.447 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.693 9.773 14.657 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.714 8.323 14.561 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.680 7.074 15.658 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.400 8.644 15.954 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.768 7.581 17.064 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.217 7.981 17.965 1.00 0.00 H new ATOM 0 HE ARG A 11 6.238 10.304 16.537 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.743 8.411 19.504 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.897 9.732 20.315 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.125 11.925 17.574 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.550 11.707 19.230 1.00 0.00 H new ATOM 160 N ILE A 12 9.323 9.844 13.512 1.00 0.00 N ATOM 161 CA ILE A 12 10.740 10.193 13.686 1.00 0.00 C ATOM 162 C ILE A 12 11.165 9.953 15.140 1.00 0.00 C ATOM 163 O ILE A 12 10.503 10.409 16.065 1.00 0.00 O ATOM 164 CB ILE A 12 11.051 11.683 13.301 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.501 12.018 11.871 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.582 11.971 13.401 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.020 13.323 11.283 1.00 0.00 C ATOM 0 H ILE A 12 8.683 10.634 13.601 1.00 0.00 H new ATOM 0 HA ILE A 12 11.305 9.551 13.010 1.00 0.00 H new ATOM 0 HB ILE A 12 10.541 12.333 14.012 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.760 11.202 11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.413 12.062 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.775 13.009 13.130 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.920 11.794 14.422 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.121 11.312 12.721 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.588 13.474 10.294 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.738 14.152 11.932 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.106 13.279 11.202 1.00 0.00 H new ATOM 179 N VAL A 13 12.264 9.224 15.307 1.00 0.00 N ATOM 180 CA VAL A 13 12.898 8.952 16.601 1.00 0.00 C ATOM 181 C VAL A 13 13.761 10.154 17.030 1.00 0.00 C ATOM 182 O VAL A 13 13.577 10.713 18.119 1.00 0.00 O ATOM 183 CB VAL A 13 13.786 7.652 16.504 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.591 7.384 17.791 1.00 0.00 C ATOM 185 CG2 VAL A 13 12.930 6.430 16.122 1.00 0.00 C ATOM 0 H VAL A 13 12.756 8.792 14.525 1.00 0.00 H new ATOM 0 HA VAL A 13 12.121 8.793 17.349 1.00 0.00 H new ATOM 0 HB VAL A 13 14.514 7.827 15.712 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.184 6.478 17.667 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.254 8.227 17.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.906 7.258 18.629 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.565 5.546 16.061 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.161 6.274 16.879 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.458 6.605 15.155 1.00 0.00 H new ATOM 195 N ASP A 14 14.667 10.565 16.124 1.00 0.00 N ATOM 196 CA ASP A 14 15.742 11.531 16.416 1.00 0.00 C ATOM 197 C ASP A 14 16.323 12.050 15.073 1.00 0.00 C ATOM 198 O ASP A 14 15.763 11.775 14.009 1.00 0.00 O ATOM 199 CB ASP A 14 16.830 10.829 17.307 1.00 0.00 C ATOM 200 CG ASP A 14 17.822 11.762 18.031 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.622 12.990 18.050 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.810 11.254 18.600 1.00 0.00 O ATOM 0 H ASP A 14 14.673 10.233 15.160 1.00 0.00 H new ATOM 0 HA ASP A 14 15.365 12.390 16.971 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.321 10.223 18.056 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.400 10.145 16.677 1.00 0.00 H new ATOM 207 N LYS A 15 17.405 12.840 15.125 1.00 0.00 N ATOM 208 CA LYS A 15 18.205 13.203 13.944 1.00 0.00 C ATOM 209 C LYS A 15 19.671 13.364 14.362 1.00 0.00 C ATOM 210 O LYS A 15 19.984 13.379 15.567 1.00 0.00 O ATOM 211 CB LYS A 15 17.635 14.490 13.249 1.00 0.00 C ATOM 212 CG LYS A 15 17.904 15.855 13.940 1.00 0.00 C ATOM 213 CD LYS A 15 19.221 16.537 13.504 1.00 0.00 C ATOM 214 CE LYS A 15 19.512 17.809 14.321 1.00 0.00 C ATOM 215 NZ LYS A 15 19.501 17.542 15.786 1.00 0.00 N ATOM 0 H LYS A 15 17.753 13.248 15.993 1.00 0.00 H new ATOM 0 HA LYS A 15 18.147 12.407 13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.044 14.537 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.556 14.369 13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.072 16.527 13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.926 15.705 15.019 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.047 15.836 13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.164 16.791 12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.483 18.212 14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.768 18.570 14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.249 18.100 16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.577 17.810 16.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.670 16.530 15.956 1.00 0.00 H new ATOM 229 N ARG A 16 20.555 13.481 13.357 1.00 0.00 N ATOM 230 CA ARG A 16 21.989 13.765 13.564 1.00 0.00 C ATOM 231 C ARG A 16 22.645 14.207 12.248 1.00 0.00 C ATOM 232 O ARG A 16 22.006 14.195 11.183 1.00 0.00 O ATOM 233 CB ARG A 16 22.743 12.542 14.180 1.00 0.00 C ATOM 234 CG ARG A 16 23.136 11.393 13.207 1.00 0.00 C ATOM 235 CD ARG A 16 21.955 10.699 12.503 1.00 0.00 C ATOM 236 NE ARG A 16 22.357 9.415 11.897 1.00 0.00 N ATOM 237 CZ ARG A 16 23.248 9.247 10.898 1.00 0.00 C ATOM 238 NH1 ARG A 16 23.810 10.276 10.263 1.00 0.00 N ATOM 239 NH2 ARG A 16 23.552 8.020 10.523 1.00 0.00 N ATOM 0 H ARG A 16 20.297 13.381 12.375 1.00 0.00 H new ATOM 0 HA ARG A 16 22.062 14.582 14.282 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.652 12.909 14.656 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.119 12.120 14.968 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.806 11.795 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.698 10.643 13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.154 10.527 13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.555 11.356 11.731 1.00 0.00 H new ATOM 0 HE ARG A 16 21.919 8.573 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.570 11.231 10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.480 10.108 9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.116 7.222 10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.223 7.868 9.770 1.00 0.00 H new ATOM 253 N LYS A 17 23.912 14.623 12.345 1.00 0.00 N ATOM 254 CA LYS A 17 24.754 14.922 11.179 1.00 0.00 C ATOM 255 C LYS A 17 25.672 13.717 10.902 1.00 0.00 C ATOM 256 O LYS A 17 26.200 13.111 11.843 1.00 0.00 O ATOM 257 CB LYS A 17 25.609 16.227 11.398 1.00 0.00 C ATOM 258 CG LYS A 17 25.723 17.158 10.155 1.00 0.00 C ATOM 259 CD LYS A 17 24.684 18.307 10.119 1.00 0.00 C ATOM 260 CE LYS A 17 23.223 17.836 10.030 1.00 0.00 C ATOM 261 NZ LYS A 17 22.297 18.960 10.216 1.00 0.00 N ATOM 0 H LYS A 17 24.385 14.763 13.238 1.00 0.00 H new ATOM 0 HA LYS A 17 24.108 15.102 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.172 16.795 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.613 15.937 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.724 17.589 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.612 16.556 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.803 18.917 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.899 18.949 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.045 17.370 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.035 17.076 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.518 18.668 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.804 19.760 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.912 19.249 9.294 1.00 0.00 H new ATOM 275 N ASN A 18 25.823 13.364 9.622 1.00 0.00 N ATOM 276 CA ASN A 18 26.861 12.418 9.150 1.00 0.00 C ATOM 277 C ASN A 18 28.263 13.035 9.399 1.00 0.00 C ATOM 278 O ASN A 18 28.381 14.248 9.622 1.00 0.00 O ATOM 279 CB ASN A 18 26.617 12.149 7.628 1.00 0.00 C ATOM 280 CG ASN A 18 27.337 10.933 7.023 1.00 0.00 C ATOM 281 OD1 ASN A 18 28.457 10.589 7.379 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.674 10.269 6.100 1.00 0.00 N ATOM 0 H ASN A 18 25.230 13.723 8.874 1.00 0.00 H new ATOM 0 HA ASN A 18 26.810 11.473 9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.546 12.024 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.919 13.036 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.092 9.447 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.742 10.576 5.821 1.00 0.00 H new ATOM 289 N LYS A 19 29.319 12.204 9.371 1.00 0.00 N ATOM 290 CA LYS A 19 30.730 12.685 9.366 1.00 0.00 C ATOM 291 C LYS A 19 30.997 13.559 8.110 1.00 0.00 C ATOM 292 O LYS A 19 31.882 14.416 8.095 1.00 0.00 O ATOM 293 CB LYS A 19 31.697 11.462 9.437 1.00 0.00 C ATOM 294 CG LYS A 19 31.666 10.499 8.206 1.00 0.00 C ATOM 295 CD LYS A 19 32.715 10.838 7.121 1.00 0.00 C ATOM 296 CE LYS A 19 32.683 9.848 5.948 1.00 0.00 C ATOM 297 NZ LYS A 19 32.973 8.455 6.368 1.00 0.00 N ATOM 0 H LYS A 19 29.231 11.188 9.351 1.00 0.00 H new ATOM 0 HA LYS A 19 30.908 13.311 10.241 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.714 11.834 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 19 31.459 10.886 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 19 31.831 9.478 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 30.672 10.528 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 19 32.535 11.846 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 19 33.709 10.836 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 31.702 9.884 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 33.411 10.156 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 33.123 7.863 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 33.829 8.441 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 32.170 8.083 6.914 1.00 0.00 H new ATOM 311 N LYS A 20 30.195 13.290 7.068 1.00 0.00 N ATOM 312 CA LYS A 20 30.136 14.052 5.807 1.00 0.00 C ATOM 313 C LYS A 20 29.382 15.395 5.959 1.00 0.00 C ATOM 314 O LYS A 20 29.263 16.144 4.977 1.00 0.00 O ATOM 315 CB LYS A 20 29.424 13.156 4.749 1.00 0.00 C ATOM 316 CG LYS A 20 30.319 12.115 4.057 1.00 0.00 C ATOM 317 CD LYS A 20 31.365 12.764 3.117 1.00 0.00 C ATOM 318 CE LYS A 20 30.719 13.582 1.977 1.00 0.00 C ATOM 319 NZ LYS A 20 29.874 12.738 1.098 1.00 0.00 N ATOM 0 H LYS A 20 29.544 12.505 7.079 1.00 0.00 H new ATOM 0 HA LYS A 20 31.151 14.303 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 20 28.599 12.635 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.989 13.801 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 20 30.833 11.522 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 20 29.696 11.429 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 20 32.017 13.414 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 20 31.994 11.984 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 20 30.113 14.382 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 20 31.500 14.056 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 29.542 13.302 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.431 11.931 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.055 12.388 1.635 1.00 0.00 H new ATOM 333 N GLY A 21 28.884 15.679 7.179 1.00 0.00 N ATOM 334 CA GLY A 21 28.093 16.874 7.467 1.00 0.00 C ATOM 335 C GLY A 21 26.771 16.919 6.703 1.00 0.00 C ATOM 336 O GLY A 21 26.294 17.996 6.322 1.00 0.00 O ATOM 0 H GLY A 21 29.025 15.078 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.889 16.917 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.679 17.759 7.218 1.00 0.00 H new ATOM 340 N LYS A 22 26.191 15.728 6.478 1.00 0.00 N ATOM 341 CA LYS A 22 24.902 15.574 5.790 1.00 0.00 C ATOM 342 C LYS A 22 23.763 15.527 6.819 1.00 0.00 C ATOM 343 O LYS A 22 24.008 15.301 8.006 1.00 0.00 O ATOM 344 CB LYS A 22 24.910 14.300 4.910 1.00 0.00 C ATOM 345 CG LYS A 22 26.026 14.268 3.848 1.00 0.00 C ATOM 346 CD LYS A 22 25.987 15.489 2.901 1.00 0.00 C ATOM 347 CE LYS A 22 27.175 15.522 1.927 1.00 0.00 C ATOM 348 NZ LYS A 22 27.191 16.772 1.134 1.00 0.00 N ATOM 0 H LYS A 22 26.606 14.843 6.770 1.00 0.00 H new ATOM 0 HA LYS A 22 24.741 16.432 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.014 13.428 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.946 14.213 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.995 14.231 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.935 13.355 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.057 15.473 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.983 16.404 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.107 15.432 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 22 27.121 14.665 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 28.005 16.762 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.312 16.845 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.267 17.588 1.774 1.00 0.00 H new ATOM 362 N TRP A 23 22.531 15.747 6.359 1.00 0.00 N ATOM 363 CA TRP A 23 21.349 15.839 7.231 1.00 0.00 C ATOM 364 C TRP A 23 20.631 14.486 7.251 1.00 0.00 C ATOM 365 O TRP A 23 20.043 14.091 6.248 1.00 0.00 O ATOM 366 CB TRP A 23 20.390 16.945 6.698 1.00 0.00 C ATOM 367 CG TRP A 23 21.032 18.309 6.544 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.956 19.361 7.412 1.00 0.00 C ATOM 369 CD2 TRP A 23 21.861 18.755 5.455 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.688 20.420 6.944 1.00 0.00 N ATOM 371 CE2 TRP A 23 22.252 20.073 5.744 1.00 0.00 C ATOM 372 CE3 TRP A 23 22.313 18.163 4.267 1.00 0.00 C ATOM 373 CZ2 TRP A 23 23.072 20.811 4.891 1.00 0.00 C ATOM 374 CZ3 TRP A 23 23.121 18.894 3.423 1.00 0.00 C ATOM 375 CH2 TRP A 23 23.498 20.206 3.740 1.00 0.00 C ATOM 0 H TRP A 23 22.319 15.867 5.369 1.00 0.00 H new ATOM 0 HA TRP A 23 21.658 16.098 8.244 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.995 16.632 5.732 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.541 17.031 7.377 1.00 0.00 H new ATOM 0 HD1 TRP A 23 20.398 19.358 8.337 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.796 21.320 7.412 1.00 0.00 H new ATOM 0 HE3 TRP A 23 22.032 17.150 4.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 23.361 21.824 5.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 23.469 18.449 2.503 1.00 0.00 H new ATOM 0 HH2 TRP A 23 24.138 20.751 3.062 1.00 0.00 H new ATOM 386 N GLU A 24 20.685 13.780 8.385 1.00 0.00 N ATOM 387 CA GLU A 24 19.937 12.524 8.580 1.00 0.00 C ATOM 388 C GLU A 24 18.960 12.689 9.726 1.00 0.00 C ATOM 389 O GLU A 24 19.103 13.575 10.577 1.00 0.00 O ATOM 390 CB GLU A 24 20.862 11.310 8.886 1.00 0.00 C ATOM 391 CG GLU A 24 21.707 10.776 7.704 1.00 0.00 C ATOM 392 CD GLU A 24 22.844 11.706 7.261 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.426 12.393 8.128 1.00 0.00 O ATOM 394 OE2 GLU A 24 23.163 11.744 6.053 1.00 0.00 O ATOM 0 H GLU A 24 21.244 14.057 9.192 1.00 0.00 H new ATOM 0 HA GLU A 24 19.417 12.318 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.540 11.591 9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.243 10.494 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.132 9.812 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 24 21.048 10.599 6.854 1.00 0.00 H new ATOM 401 N TYR A 25 17.992 11.789 9.732 1.00 0.00 N ATOM 402 CA TYR A 25 16.958 11.679 10.748 1.00 0.00 C ATOM 403 C TYR A 25 16.826 10.202 11.104 1.00 0.00 C ATOM 404 O TYR A 25 16.658 9.359 10.209 1.00 0.00 O ATOM 405 CB TYR A 25 15.596 12.238 10.247 1.00 0.00 C ATOM 406 CG TYR A 25 15.469 13.774 10.244 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.116 14.558 9.285 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.680 14.438 11.196 1.00 0.00 C ATOM 409 CE1 TYR A 25 15.987 15.934 9.283 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.552 15.815 11.190 1.00 0.00 C ATOM 411 CZ TYR A 25 15.206 16.555 10.231 1.00 0.00 C ATOM 412 OH TYR A 25 15.084 17.928 10.222 1.00 0.00 O ATOM 0 H TYR A 25 17.901 11.086 8.999 1.00 0.00 H new ATOM 0 HA TYR A 25 17.236 12.270 11.621 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.425 11.875 9.234 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.803 11.827 10.871 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.727 14.081 8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.162 13.862 11.949 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.500 16.523 8.537 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.942 16.307 11.933 1.00 0.00 H new ATOM 0 HH TYR A 25 15.577 18.295 9.459 1.00 0.00 H new ATOM 422 N LEU A 26 16.945 9.891 12.403 1.00 0.00 N ATOM 423 CA LEU A 26 16.693 8.553 12.910 1.00 0.00 C ATOM 424 C LEU A 26 15.177 8.343 12.898 1.00 0.00 C ATOM 425 O LEU A 26 14.464 8.963 13.663 1.00 0.00 O ATOM 426 CB LEU A 26 17.275 8.367 14.339 1.00 0.00 C ATOM 427 CG LEU A 26 17.421 6.890 14.808 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.335 6.094 13.844 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.943 6.816 16.262 1.00 0.00 C ATOM 0 H LEU A 26 17.218 10.563 13.121 1.00 0.00 H new ATOM 0 HA LEU A 26 17.187 7.812 12.282 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.255 8.843 14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.635 8.894 15.046 1.00 0.00 H new ATOM 0 HG LEU A 26 16.432 6.431 14.789 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.422 5.065 14.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.904 6.103 12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.323 6.553 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.035 5.772 16.563 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.918 7.299 16.323 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.244 7.325 16.926 1.00 0.00 H new ATOM 441 N ILE A 27 14.704 7.563 11.936 1.00 0.00 N ATOM 442 CA ILE A 27 13.286 7.240 11.747 1.00 0.00 C ATOM 443 C ILE A 27 13.043 5.792 12.184 1.00 0.00 C ATOM 444 O ILE A 27 13.958 4.968 12.154 1.00 0.00 O ATOM 445 CB ILE A 27 12.866 7.388 10.228 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.425 8.703 9.598 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.328 7.302 10.045 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.810 9.972 10.125 1.00 0.00 C ATOM 0 H ILE A 27 15.309 7.122 11.243 1.00 0.00 H new ATOM 0 HA ILE A 27 12.692 7.931 12.344 1.00 0.00 H new ATOM 0 HB ILE A 27 13.312 6.548 9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.501 8.741 9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.274 8.664 8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.081 7.408 8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.972 6.337 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.849 8.100 10.612 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.263 10.830 9.627 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.737 9.964 9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.984 10.042 11.199 1.00 0.00 H new ATOM 460 N ARG A 28 11.820 5.489 12.606 1.00 0.00 N ATOM 461 CA ARG A 28 11.355 4.107 12.761 1.00 0.00 C ATOM 462 C ARG A 28 10.216 3.855 11.774 1.00 0.00 C ATOM 463 O ARG A 28 9.345 4.708 11.619 1.00 0.00 O ATOM 464 CB ARG A 28 10.906 3.815 14.213 1.00 0.00 C ATOM 465 CG ARG A 28 9.958 4.846 14.874 1.00 0.00 C ATOM 466 CD ARG A 28 9.424 4.346 16.237 1.00 0.00 C ATOM 467 NE ARG A 28 9.171 5.444 17.205 1.00 0.00 N ATOM 468 CZ ARG A 28 8.407 5.323 18.305 1.00 0.00 C ATOM 469 NH1 ARG A 28 7.609 4.284 18.466 1.00 0.00 N ATOM 470 NH2 ARG A 28 8.405 6.279 19.221 1.00 0.00 N ATOM 0 H ARG A 28 11.121 6.190 12.851 1.00 0.00 H new ATOM 0 HA ARG A 28 12.181 3.430 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.413 2.843 14.227 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.798 3.728 14.833 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.488 5.788 15.015 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.120 5.048 14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.499 3.792 16.076 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.143 3.649 16.668 1.00 0.00 H new ATOM 0 HE ARG A 28 9.605 6.349 17.023 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.566 3.558 17.750 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.036 4.207 19.306 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.984 7.109 19.093 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.825 6.185 20.055 1.00 0.00 H new ATOM 484 N TRP A 29 10.275 2.705 11.079 1.00 0.00 N ATOM 485 CA TRP A 29 9.211 2.225 10.177 1.00 0.00 C ATOM 486 C TRP A 29 8.342 1.196 10.914 1.00 0.00 C ATOM 487 O TRP A 29 8.852 0.397 11.732 1.00 0.00 O ATOM 488 CB TRP A 29 9.790 1.580 8.883 1.00 0.00 C ATOM 489 CG TRP A 29 10.627 2.496 8.008 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.496 3.849 7.846 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.707 2.101 7.147 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.430 4.309 6.958 1.00 0.00 N ATOM 493 CE2 TRP A 29 12.185 3.257 6.517 1.00 0.00 C ATOM 494 CE3 TRP A 29 12.318 0.879 6.853 1.00 0.00 C ATOM 495 CZ2 TRP A 29 13.247 3.228 5.617 1.00 0.00 C ATOM 496 CZ3 TRP A 29 13.371 0.851 5.966 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.828 2.021 5.354 1.00 0.00 C ATOM 0 H TRP A 29 11.074 2.073 11.128 1.00 0.00 H new ATOM 0 HA TRP A 29 8.613 3.087 9.881 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.400 0.723 9.168 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.961 1.197 8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.762 4.464 8.346 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.545 5.281 6.671 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.969 -0.032 7.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.600 4.132 5.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.851 -0.090 5.740 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.655 1.970 4.661 1.00 0.00 H new ATOM 508 N LYS A 30 7.033 1.194 10.594 1.00 0.00 N ATOM 509 CA LYS A 30 6.068 0.295 11.241 1.00 0.00 C ATOM 510 C LYS A 30 6.362 -1.167 10.844 1.00 0.00 C ATOM 511 O LYS A 30 6.736 -1.437 9.696 1.00 0.00 O ATOM 512 CB LYS A 30 4.611 0.674 10.857 1.00 0.00 C ATOM 513 CG LYS A 30 3.536 0.069 11.803 1.00 0.00 C ATOM 514 CD LYS A 30 2.086 0.284 11.303 1.00 0.00 C ATOM 515 CE LYS A 30 1.768 -0.543 10.039 1.00 0.00 C ATOM 516 NZ LYS A 30 0.458 -0.174 9.454 1.00 0.00 N ATOM 0 H LYS A 30 6.623 1.807 9.890 1.00 0.00 H new ATOM 0 HA LYS A 30 6.171 0.400 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.515 1.760 10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.415 0.340 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.720 -1.000 11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.641 0.514 12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.388 0.014 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.932 1.342 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.553 -0.390 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.768 -1.604 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.163 -0.904 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.251 -0.098 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.541 0.740 8.965 1.00 0.00 H new ATOM 530 N GLY A 31 6.185 -2.088 11.796 1.00 0.00 N ATOM 531 CA GLY A 31 6.536 -3.497 11.617 1.00 0.00 C ATOM 532 C GLY A 31 7.788 -3.880 12.391 1.00 0.00 C ATOM 533 O GLY A 31 7.965 -5.053 12.745 1.00 0.00 O ATOM 0 H GLY A 31 5.793 -1.875 12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.704 -4.121 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.690 -3.700 10.557 1.00 0.00 H new ATOM 537 N TYR A 32 8.677 -2.893 12.646 1.00 0.00 N ATOM 538 CA TYR A 32 9.921 -3.113 13.425 1.00 0.00 C ATOM 539 C TYR A 32 10.023 -2.113 14.597 1.00 0.00 C ATOM 540 O TYR A 32 10.520 -2.456 15.679 1.00 0.00 O ATOM 541 CB TYR A 32 11.166 -3.023 12.496 1.00 0.00 C ATOM 542 CG TYR A 32 11.323 -4.195 11.509 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.552 -4.279 10.342 1.00 0.00 C ATOM 544 CD2 TYR A 32 12.231 -5.228 11.757 1.00 0.00 C ATOM 545 CE1 TYR A 32 10.682 -5.342 9.473 1.00 0.00 C ATOM 546 CE2 TYR A 32 12.361 -6.295 10.889 1.00 0.00 C ATOM 547 CZ TYR A 32 11.586 -6.350 9.750 1.00 0.00 C ATOM 548 OH TYR A 32 11.711 -7.421 8.885 1.00 0.00 O ATOM 0 H TYR A 32 8.557 -1.933 12.323 1.00 0.00 H new ATOM 0 HA TYR A 32 9.888 -4.116 13.851 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.112 -2.094 11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.061 -2.966 13.116 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.842 -3.496 10.119 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.844 -5.191 12.646 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.079 -5.387 8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.068 -7.084 11.102 1.00 0.00 H new ATOM 0 HH TYR A 32 12.390 -8.039 9.226 1.00 0.00 H new ATOM 558 N GLY A 33 9.542 -0.880 14.366 1.00 0.00 N ATOM 559 CA GLY A 33 9.525 0.165 15.394 1.00 0.00 C ATOM 560 C GLY A 33 10.921 0.594 15.843 1.00 0.00 C ATOM 561 O GLY A 33 11.735 0.978 15.002 1.00 0.00 O ATOM 0 H GLY A 33 9.158 -0.585 13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.991 1.034 15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.967 -0.195 16.259 1.00 0.00 H new ATOM 565 N SER A 34 11.201 0.485 17.159 1.00 0.00 N ATOM 566 CA SER A 34 12.481 0.930 17.764 1.00 0.00 C ATOM 567 C SER A 34 13.711 0.280 17.083 1.00 0.00 C ATOM 568 O SER A 34 14.696 0.963 16.786 1.00 0.00 O ATOM 569 CB SER A 34 12.505 0.589 19.265 1.00 0.00 C ATOM 570 OG SER A 34 11.433 1.192 19.956 1.00 0.00 O ATOM 0 H SER A 34 10.549 0.087 17.834 1.00 0.00 H new ATOM 0 HA SER A 34 12.542 2.008 17.618 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.458 -0.492 19.393 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.449 0.920 19.698 1.00 0.00 H new ATOM 0 HG SER A 34 11.479 0.952 20.905 1.00 0.00 H new ATOM 576 N THR A 35 13.619 -1.040 16.816 1.00 0.00 N ATOM 577 CA THR A 35 14.743 -1.830 16.272 1.00 0.00 C ATOM 578 C THR A 35 14.953 -1.570 14.759 1.00 0.00 C ATOM 579 O THR A 35 15.948 -2.012 14.188 1.00 0.00 O ATOM 580 CB THR A 35 14.550 -3.366 16.555 1.00 0.00 C ATOM 581 OG1 THR A 35 15.759 -4.087 16.268 1.00 0.00 O ATOM 582 CG2 THR A 35 13.388 -3.972 15.745 1.00 0.00 C ATOM 0 H THR A 35 12.770 -1.584 16.970 1.00 0.00 H new ATOM 0 HA THR A 35 15.644 -1.500 16.789 1.00 0.00 H new ATOM 0 HB THR A 35 14.305 -3.460 17.613 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.235 -3.648 15.532 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.297 -5.033 15.977 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.460 -3.463 16.004 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.584 -3.849 14.680 1.00 0.00 H new ATOM 590 N GLU A 36 14.011 -0.851 14.117 1.00 0.00 N ATOM 591 CA GLU A 36 14.147 -0.433 12.706 1.00 0.00 C ATOM 592 C GLU A 36 15.224 0.647 12.563 1.00 0.00 C ATOM 593 O GLU A 36 15.964 0.636 11.568 1.00 0.00 O ATOM 594 CB GLU A 36 12.806 0.107 12.149 1.00 0.00 C ATOM 595 CG GLU A 36 12.852 0.485 10.655 1.00 0.00 C ATOM 596 CD GLU A 36 13.193 -0.691 9.714 1.00 0.00 C ATOM 597 OE1 GLU A 36 12.287 -1.498 9.412 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.351 -0.795 9.247 1.00 0.00 O ATOM 0 H GLU A 36 13.142 -0.546 14.556 1.00 0.00 H new ATOM 0 HA GLU A 36 14.438 -1.313 12.133 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.033 -0.647 12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.512 0.984 12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.885 0.898 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.591 1.274 10.514 1.00 0.00 H new ATOM 605 N ASP A 37 15.308 1.509 13.622 1.00 0.00 N ATOM 606 CA ASP A 37 16.041 2.806 13.661 1.00 0.00 C ATOM 607 C ASP A 37 17.000 3.041 12.453 1.00 0.00 C ATOM 608 O ASP A 37 18.186 2.676 12.456 1.00 0.00 O ATOM 609 CB ASP A 37 16.761 2.972 15.036 1.00 0.00 C ATOM 610 CG ASP A 37 17.839 1.910 15.323 1.00 0.00 C ATOM 611 OD1 ASP A 37 17.485 0.733 15.545 1.00 0.00 O ATOM 612 OD2 ASP A 37 19.044 2.248 15.311 1.00 0.00 O ATOM 0 H ASP A 37 14.845 1.306 14.508 1.00 0.00 H new ATOM 0 HA ASP A 37 15.293 3.592 13.558 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.222 3.959 15.074 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.015 2.938 15.830 1.00 0.00 H new ATOM 617 N THR A 38 16.416 3.610 11.394 1.00 0.00 N ATOM 618 CA THR A 38 17.076 3.889 10.116 1.00 0.00 C ATOM 619 C THR A 38 17.447 5.372 10.047 1.00 0.00 C ATOM 620 O THR A 38 16.823 6.190 10.708 1.00 0.00 O ATOM 621 CB THR A 38 16.128 3.492 8.926 1.00 0.00 C ATOM 622 OG1 THR A 38 16.763 3.742 7.657 1.00 0.00 O ATOM 623 CG2 THR A 38 14.775 4.222 8.974 1.00 0.00 C ATOM 0 H THR A 38 15.438 3.899 11.404 1.00 0.00 H new ATOM 0 HA THR A 38 17.988 3.297 10.037 1.00 0.00 H new ATOM 0 HB THR A 38 15.934 2.425 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.156 3.486 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.162 3.909 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.262 3.977 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.940 5.298 8.923 1.00 0.00 H new ATOM 631 N TRP A 39 18.476 5.723 9.271 1.00 0.00 N ATOM 632 CA TRP A 39 18.923 7.125 9.130 1.00 0.00 C ATOM 633 C TRP A 39 18.564 7.644 7.730 1.00 0.00 C ATOM 634 O TRP A 39 19.396 7.658 6.807 1.00 0.00 O ATOM 635 CB TRP A 39 20.443 7.272 9.477 1.00 0.00 C ATOM 636 CG TRP A 39 21.383 6.318 8.756 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.154 6.594 7.656 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.650 4.945 9.091 1.00 0.00 C ATOM 639 NE1 TRP A 39 22.859 5.483 7.287 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.573 4.462 8.148 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.195 4.075 10.090 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.052 3.154 8.175 1.00 0.00 C ATOM 643 CZ3 TRP A 39 21.674 2.779 10.117 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.592 2.326 9.162 1.00 0.00 C ATOM 0 H TRP A 39 19.022 5.057 8.725 1.00 0.00 H new ATOM 0 HA TRP A 39 18.397 7.751 9.851 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.750 8.293 9.252 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.566 7.131 10.551 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.198 7.550 7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 39 23.498 5.425 6.494 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.481 4.412 10.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.763 2.805 7.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.334 2.104 10.888 1.00 0.00 H new ATOM 0 HH2 TRP A 39 22.943 1.306 9.205 1.00 0.00 H new ATOM 655 N GLU A 40 17.282 8.024 7.551 1.00 0.00 N ATOM 656 CA GLU A 40 16.795 8.561 6.271 1.00 0.00 C ATOM 657 C GLU A 40 17.312 10.009 6.094 1.00 0.00 C ATOM 658 O GLU A 40 17.226 10.810 7.039 1.00 0.00 O ATOM 659 CB GLU A 40 15.242 8.541 6.183 1.00 0.00 C ATOM 660 CG GLU A 40 14.591 7.138 6.225 1.00 0.00 C ATOM 661 CD GLU A 40 13.066 7.146 5.961 1.00 0.00 C ATOM 662 OE1 GLU A 40 12.337 7.896 6.629 1.00 0.00 O ATOM 663 OE2 GLU A 40 12.589 6.370 5.105 1.00 0.00 O ATOM 0 H GLU A 40 16.569 7.968 8.278 1.00 0.00 H new ATOM 0 HA GLU A 40 17.176 7.924 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.841 9.133 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.941 9.034 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.075 6.501 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.779 6.690 7.201 1.00 0.00 H new ATOM 670 N PRO A 41 17.886 10.354 4.896 1.00 0.00 N ATOM 671 CA PRO A 41 18.355 11.722 4.600 1.00 0.00 C ATOM 672 C PRO A 41 17.167 12.696 4.506 1.00 0.00 C ATOM 673 O PRO A 41 16.123 12.332 3.979 1.00 0.00 O ATOM 674 CB PRO A 41 19.091 11.579 3.241 1.00 0.00 C ATOM 675 CG PRO A 41 18.496 10.358 2.609 1.00 0.00 C ATOM 676 CD PRO A 41 18.129 9.431 3.751 1.00 0.00 C ATOM 0 HA PRO A 41 19.004 12.129 5.376 1.00 0.00 H new ATOM 0 HB2 PRO A 41 18.942 12.460 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.166 11.467 3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.617 10.614 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.207 9.882 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.243 8.841 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 41 18.932 8.727 3.968 1.00 0.00 H new ATOM 684 N GLU A 42 17.361 13.919 5.013 1.00 0.00 N ATOM 685 CA GLU A 42 16.318 14.961 5.124 1.00 0.00 C ATOM 686 C GLU A 42 15.623 15.246 3.775 1.00 0.00 C ATOM 687 O GLU A 42 14.399 15.311 3.689 1.00 0.00 O ATOM 688 CB GLU A 42 16.970 16.252 5.672 1.00 0.00 C ATOM 689 CG GLU A 42 16.024 17.453 5.871 1.00 0.00 C ATOM 690 CD GLU A 42 16.758 18.696 6.400 1.00 0.00 C ATOM 691 OE1 GLU A 42 17.332 19.449 5.584 1.00 0.00 O ATOM 692 OE2 GLU A 42 16.779 18.918 7.632 1.00 0.00 O ATOM 0 H GLU A 42 18.267 14.225 5.368 1.00 0.00 H new ATOM 0 HA GLU A 42 15.545 14.602 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.439 16.021 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.767 16.551 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.543 17.694 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.233 17.177 6.568 1.00 0.00 H new ATOM 699 N HIS A 43 16.417 15.346 2.708 1.00 0.00 N ATOM 700 CA HIS A 43 15.899 15.705 1.369 1.00 0.00 C ATOM 701 C HIS A 43 15.139 14.535 0.713 1.00 0.00 C ATOM 702 O HIS A 43 14.629 14.672 -0.405 1.00 0.00 O ATOM 703 CB HIS A 43 17.062 16.188 0.475 1.00 0.00 C ATOM 704 CG HIS A 43 17.858 17.322 1.077 1.00 0.00 C ATOM 705 ND1 HIS A 43 19.194 17.526 0.820 1.00 0.00 N ATOM 706 CD2 HIS A 43 17.497 18.311 1.938 1.00 0.00 C ATOM 707 CE1 HIS A 43 19.621 18.576 1.495 1.00 0.00 C ATOM 708 NE2 HIS A 43 18.613 19.070 2.180 1.00 0.00 N ATOM 0 H HIS A 43 17.424 15.185 2.736 1.00 0.00 H new ATOM 0 HA HIS A 43 15.180 16.516 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.731 15.350 0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.661 16.507 -0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.513 18.469 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.629 18.964 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.655 19.885 2.792 1.00 0.00 H new ATOM 717 N HIS A 44 15.078 13.379 1.404 1.00 0.00 N ATOM 718 CA HIS A 44 14.355 12.192 0.923 1.00 0.00 C ATOM 719 C HIS A 44 13.419 11.610 1.995 1.00 0.00 C ATOM 720 O HIS A 44 12.604 10.757 1.647 1.00 0.00 O ATOM 721 CB HIS A 44 15.353 11.090 0.471 1.00 0.00 C ATOM 722 CG HIS A 44 16.302 11.504 -0.627 1.00 0.00 C ATOM 723 ND1 HIS A 44 16.069 11.266 -1.966 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.499 12.138 -0.570 1.00 0.00 C ATOM 725 CE1 HIS A 44 17.080 11.733 -2.676 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.960 12.267 -1.854 1.00 0.00 N ATOM 0 H HIS A 44 15.529 13.245 2.309 1.00 0.00 H new ATOM 0 HA HIS A 44 13.749 12.516 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 44 15.937 10.772 1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.786 10.223 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.998 12.479 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 44 17.170 11.685 -3.751 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.840 12.704 -2.128 1.00 0.00 H new ATOM 735 N LEU A 45 13.504 12.084 3.277 1.00 0.00 N ATOM 736 CA LEU A 45 12.925 11.332 4.434 1.00 0.00 C ATOM 737 C LEU A 45 11.389 11.203 4.325 1.00 0.00 C ATOM 738 O LEU A 45 10.830 10.118 4.515 1.00 0.00 O ATOM 739 CB LEU A 45 13.339 11.949 5.832 1.00 0.00 C ATOM 740 CG LEU A 45 12.418 13.064 6.478 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.751 13.308 7.955 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.461 14.395 5.715 1.00 0.00 C ATOM 0 H LEU A 45 13.957 12.962 3.530 1.00 0.00 H new ATOM 0 HA LEU A 45 13.353 10.331 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.413 11.128 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.339 12.369 5.724 1.00 0.00 H new ATOM 0 HG LEU A 45 11.405 12.669 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.093 14.081 8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.609 12.385 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.788 13.632 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.810 15.118 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.482 14.775 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.122 14.239 4.691 1.00 0.00 H new ATOM 754 N LEU A 46 10.738 12.315 3.962 1.00 0.00 N ATOM 755 CA LEU A 46 9.276 12.459 3.923 1.00 0.00 C ATOM 756 C LEU A 46 8.896 13.508 2.871 1.00 0.00 C ATOM 757 O LEU A 46 9.724 14.316 2.432 1.00 0.00 O ATOM 758 CB LEU A 46 8.669 12.872 5.324 1.00 0.00 C ATOM 759 CG LEU A 46 8.239 11.728 6.313 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.534 10.583 5.570 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.392 11.216 7.215 1.00 0.00 C ATOM 0 H LEU A 46 11.227 13.164 3.679 1.00 0.00 H new ATOM 0 HA LEU A 46 8.859 11.486 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.403 13.495 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.796 13.497 5.137 1.00 0.00 H new ATOM 0 HG LEU A 46 7.519 12.177 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.249 9.808 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.642 10.966 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.210 10.162 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.019 10.428 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.194 10.820 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.775 12.039 7.819 1.00 0.00 H new ATOM 773 N HIS A 47 7.615 13.476 2.502 1.00 0.00 N ATOM 774 CA HIS A 47 6.970 14.464 1.630 1.00 0.00 C ATOM 775 C HIS A 47 6.495 15.676 2.462 1.00 0.00 C ATOM 776 O HIS A 47 6.413 16.797 1.951 1.00 0.00 O ATOM 777 CB HIS A 47 5.775 13.776 0.905 1.00 0.00 C ATOM 778 CG HIS A 47 4.894 14.705 0.112 1.00 0.00 C ATOM 779 ND1 HIS A 47 3.752 15.276 0.634 1.00 0.00 N ATOM 780 CD2 HIS A 47 4.991 15.169 -1.157 1.00 0.00 C ATOM 781 CE1 HIS A 47 3.196 16.055 -0.267 1.00 0.00 C ATOM 782 NE2 HIS A 47 3.923 16.008 -1.364 1.00 0.00 N ATOM 0 H HIS A 47 6.977 12.742 2.809 1.00 0.00 H new ATOM 0 HA HIS A 47 7.677 14.832 0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.167 13.011 0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.163 13.265 1.649 1.00 0.00 H new ATOM 0 HD1 HIS A 47 3.394 15.118 1.576 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.763 14.925 -1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.295 16.635 -0.131 1.00 0.00 H new ATOM 791 N CYS A 48 6.201 15.445 3.754 1.00 0.00 N ATOM 792 CA CYS A 48 5.586 16.445 4.635 1.00 0.00 C ATOM 793 C CYS A 48 6.501 16.751 5.836 1.00 0.00 C ATOM 794 O CYS A 48 7.028 15.834 6.475 1.00 0.00 O ATOM 795 CB CYS A 48 4.219 15.922 5.108 1.00 0.00 C ATOM 796 SG CYS A 48 3.048 15.602 3.774 1.00 0.00 S ATOM 0 H CYS A 48 6.386 14.554 4.215 1.00 0.00 H new ATOM 0 HA CYS A 48 5.446 17.375 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.370 15.002 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.782 16.648 5.794 1.00 0.00 H new ATOM 0 HG CYS A 48 1.931 15.164 4.273 1.00 0.00 H new ATOM 802 N GLU A 49 6.675 18.052 6.116 1.00 0.00 N ATOM 803 CA GLU A 49 7.507 18.565 7.229 1.00 0.00 C ATOM 804 C GLU A 49 6.845 18.323 8.611 1.00 0.00 C ATOM 805 O GLU A 49 7.516 18.418 9.640 1.00 0.00 O ATOM 806 CB GLU A 49 7.771 20.082 7.016 1.00 0.00 C ATOM 807 CG GLU A 49 8.691 20.761 8.062 1.00 0.00 C ATOM 808 CD GLU A 49 8.825 22.282 7.863 1.00 0.00 C ATOM 809 OE1 GLU A 49 7.836 23.012 8.115 1.00 0.00 O ATOM 810 OE2 GLU A 49 9.900 22.754 7.443 1.00 0.00 O ATOM 0 H GLU A 49 6.237 18.794 5.570 1.00 0.00 H new ATOM 0 HA GLU A 49 8.450 18.019 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.212 20.219 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.813 20.601 7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.299 20.566 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.681 20.307 8.013 1.00 0.00 H new ATOM 817 N GLU A 50 5.529 18.009 8.618 1.00 0.00 N ATOM 818 CA GLU A 50 4.750 17.743 9.857 1.00 0.00 C ATOM 819 C GLU A 50 5.429 16.674 10.755 1.00 0.00 C ATOM 820 O GLU A 50 5.405 16.783 11.986 1.00 0.00 O ATOM 821 CB GLU A 50 3.305 17.301 9.502 1.00 0.00 C ATOM 822 CG GLU A 50 3.247 16.063 8.591 1.00 0.00 C ATOM 823 CD GLU A 50 1.855 15.437 8.475 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.494 14.633 9.356 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.126 15.735 7.505 1.00 0.00 O ATOM 0 H GLU A 50 4.974 17.932 7.766 1.00 0.00 H new ATOM 0 HA GLU A 50 4.715 18.674 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.762 17.090 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.791 18.128 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.593 16.341 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.940 15.313 8.971 1.00 0.00 H new ATOM 832 N PHE A 51 6.065 15.671 10.120 1.00 0.00 N ATOM 833 CA PHE A 51 6.811 14.610 10.825 1.00 0.00 C ATOM 834 C PHE A 51 8.032 15.206 11.552 1.00 0.00 C ATOM 835 O PHE A 51 8.305 14.879 12.707 1.00 0.00 O ATOM 836 CB PHE A 51 7.249 13.503 9.832 1.00 0.00 C ATOM 837 CG PHE A 51 6.082 12.775 9.160 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.468 13.298 8.023 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.595 11.573 9.669 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.417 12.640 7.415 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.543 10.917 9.056 1.00 0.00 C ATOM 842 CZ PHE A 51 3.951 11.453 7.935 1.00 0.00 C ATOM 0 H PHE A 51 6.076 15.573 9.105 1.00 0.00 H new ATOM 0 HA PHE A 51 6.155 14.159 11.570 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.879 13.948 9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.862 12.774 10.363 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.820 14.232 7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.045 11.148 10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.960 13.057 6.530 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.185 9.981 9.458 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.123 10.944 7.464 1.00 0.00 H new ATOM 852 N ILE A 52 8.728 16.134 10.878 1.00 0.00 N ATOM 853 CA ILE A 52 9.873 16.861 11.466 1.00 0.00 C ATOM 854 C ILE A 52 9.372 17.706 12.659 1.00 0.00 C ATOM 855 O ILE A 52 10.027 17.780 13.708 1.00 0.00 O ATOM 856 CB ILE A 52 10.611 17.768 10.397 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.288 16.902 9.271 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.654 18.701 11.063 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.345 16.240 8.280 1.00 0.00 C ATOM 0 H ILE A 52 8.518 16.403 9.917 1.00 0.00 H new ATOM 0 HA ILE A 52 10.606 16.134 11.814 1.00 0.00 H new ATOM 0 HB ILE A 52 9.848 18.392 9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.977 17.539 8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.885 16.125 9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.140 19.308 10.299 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.154 19.352 11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.403 18.100 11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.923 15.671 7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.671 15.569 8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.764 17.005 7.764 1.00 0.00 H new ATOM 871 N ASP A 53 8.133 18.233 12.520 1.00 0.00 N ATOM 872 CA ASP A 53 7.485 19.043 13.564 1.00 0.00 C ATOM 873 C ASP A 53 7.193 18.170 14.793 1.00 0.00 C ATOM 874 O ASP A 53 7.476 18.581 15.931 1.00 0.00 O ATOM 875 CB ASP A 53 6.179 19.695 13.028 1.00 0.00 C ATOM 876 CG ASP A 53 5.420 20.519 14.088 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.892 21.619 14.435 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.360 20.072 14.582 1.00 0.00 O ATOM 0 H ASP A 53 7.562 18.107 11.684 1.00 0.00 H new ATOM 0 HA ASP A 53 8.162 19.846 13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.425 20.341 12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.521 18.913 12.649 1.00 0.00 H new ATOM 883 N GLU A 54 6.732 16.908 14.550 1.00 0.00 N ATOM 884 CA GLU A 54 6.365 16.000 15.644 1.00 0.00 C ATOM 885 C GLU A 54 7.644 15.571 16.371 1.00 0.00 C ATOM 886 O GLU A 54 7.619 15.374 17.579 1.00 0.00 O ATOM 887 CB GLU A 54 5.525 14.762 15.181 1.00 0.00 C ATOM 888 CG GLU A 54 6.322 13.560 14.626 1.00 0.00 C ATOM 889 CD GLU A 54 5.465 12.311 14.387 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.029 11.694 15.384 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.217 11.942 13.215 1.00 0.00 O ATOM 0 H GLU A 54 6.612 16.515 13.617 1.00 0.00 H new ATOM 0 HA GLU A 54 5.707 16.542 16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.931 14.417 16.027 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.825 15.092 14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.795 13.851 13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.123 13.313 15.323 1.00 0.00 H new ATOM 898 N PHE A 55 8.777 15.526 15.621 1.00 0.00 N ATOM 899 CA PHE A 55 10.111 15.238 16.177 1.00 0.00 C ATOM 900 C PHE A 55 10.505 16.353 17.163 1.00 0.00 C ATOM 901 O PHE A 55 10.953 16.080 18.292 1.00 0.00 O ATOM 902 CB PHE A 55 11.152 15.087 15.021 1.00 0.00 C ATOM 903 CG PHE A 55 12.605 15.348 15.419 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.253 14.539 16.351 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.312 16.422 14.876 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.550 14.807 16.734 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.611 16.676 15.256 1.00 0.00 C ATOM 908 CZ PHE A 55 15.229 15.865 16.184 1.00 0.00 C ATOM 0 H PHE A 55 8.783 15.690 14.614 1.00 0.00 H new ATOM 0 HA PHE A 55 10.092 14.295 16.723 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.078 14.078 14.616 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.882 15.773 14.218 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.734 13.694 16.777 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.834 17.062 14.149 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.034 14.182 17.470 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.146 17.511 14.827 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.249 16.063 16.479 1.00 0.00 H new ATOM 918 N ASN A 56 10.243 17.601 16.743 1.00 0.00 N ATOM 919 CA ASN A 56 10.566 18.811 17.516 1.00 0.00 C ATOM 920 C ASN A 56 9.653 18.915 18.764 1.00 0.00 C ATOM 921 O ASN A 56 9.917 19.701 19.682 1.00 0.00 O ATOM 922 CB ASN A 56 10.430 20.050 16.587 1.00 0.00 C ATOM 923 CG ASN A 56 10.979 21.349 17.183 1.00 0.00 C ATOM 924 OD1 ASN A 56 12.158 21.665 17.031 1.00 0.00 O ATOM 925 ND2 ASN A 56 10.136 22.108 17.867 1.00 0.00 N ATOM 0 H ASN A 56 9.796 17.800 15.848 1.00 0.00 H new ATOM 0 HA ASN A 56 11.592 18.763 17.880 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.949 19.846 15.651 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.377 20.193 16.343 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.459 22.981 18.284 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.164 21.820 17.976 1.00 0.00 H new ATOM 932 N GLY A 57 8.571 18.104 18.770 1.00 0.00 N ATOM 933 CA GLY A 57 7.684 17.971 19.916 1.00 0.00 C ATOM 934 C GLY A 57 7.950 16.732 20.788 1.00 0.00 C ATOM 935 O GLY A 57 7.716 16.781 22.001 1.00 0.00 O ATOM 0 H GLY A 57 8.300 17.529 17.973 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.776 18.863 20.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.654 17.935 19.560 1.00 0.00 H new ATOM 939 N LEU A 58 8.438 15.616 20.190 1.00 0.00 N ATOM 940 CA LEU A 58 8.514 14.308 20.902 1.00 0.00 C ATOM 941 C LEU A 58 9.886 14.121 21.571 1.00 0.00 C ATOM 942 O LEU A 58 9.970 13.769 22.753 1.00 0.00 O ATOM 943 CB LEU A 58 8.126 13.113 19.952 1.00 0.00 C ATOM 944 CG LEU A 58 9.102 12.705 18.770 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.195 11.690 19.198 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.321 12.164 17.547 1.00 0.00 C ATOM 0 H LEU A 58 8.781 15.591 19.230 1.00 0.00 H new ATOM 0 HA LEU A 58 7.775 14.312 21.704 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.984 12.232 20.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.158 13.349 19.510 1.00 0.00 H new ATOM 0 HG LEU A 58 9.614 13.624 18.485 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.828 11.454 18.342 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.804 12.124 19.991 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.722 10.778 19.562 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.023 11.895 16.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.750 11.283 17.841 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.640 12.933 17.181 1.00 0.00 H new ATOM 958 N HIS A 59 10.957 14.372 20.802 1.00 0.00 N ATOM 959 CA HIS A 59 12.348 14.207 21.258 1.00 0.00 C ATOM 960 C HIS A 59 12.814 15.504 21.928 1.00 0.00 C ATOM 961 O HIS A 59 13.487 15.480 22.960 1.00 0.00 O ATOM 962 CB HIS A 59 13.255 13.834 20.053 1.00 0.00 C ATOM 963 CG HIS A 59 14.700 13.601 20.427 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.150 12.432 20.991 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.785 14.403 20.333 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.441 12.522 21.228 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.857 13.706 20.837 1.00 0.00 N ATOM 0 H HIS A 59 10.882 14.698 19.838 1.00 0.00 H new ATOM 0 HA HIS A 59 12.411 13.399 21.987 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.862 12.934 19.579 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.205 14.632 19.312 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.805 15.407 19.935 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.056 11.752 21.670 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.815 14.050 20.898 1.00 0.00 H new ATOM 976 N MET A 60 12.443 16.628 21.315 1.00 0.00 N ATOM 977 CA MET A 60 12.747 17.965 21.827 1.00 0.00 C ATOM 978 C MET A 60 11.538 18.500 22.609 1.00 0.00 C ATOM 979 O MET A 60 10.398 18.351 22.163 1.00 0.00 O ATOM 980 CB MET A 60 13.094 18.902 20.645 1.00 0.00 C ATOM 981 CG MET A 60 13.523 20.314 21.048 1.00 0.00 C ATOM 982 SD MET A 60 13.914 21.351 19.623 1.00 0.00 S ATOM 983 CE MET A 60 14.457 22.860 20.417 1.00 0.00 C ATOM 0 H MET A 60 11.918 16.636 20.441 1.00 0.00 H new ATOM 0 HA MET A 60 13.604 17.920 22.499 1.00 0.00 H new ATOM 0 HB2 MET A 60 13.895 18.447 20.062 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.225 18.975 19.991 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.726 20.782 21.626 1.00 0.00 H new ATOM 0 HG3 MET A 60 14.395 20.253 21.699 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.117 23.719 19.838 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.040 22.912 21.423 1.00 0.00 H new ATOM 0 HE3 MET A 60 15.545 22.869 20.475 1.00 0.00 H new ATOM 993 N SER A 61 11.788 19.097 23.783 1.00 0.00 N ATOM 994 CA SER A 61 10.742 19.737 24.594 1.00 0.00 C ATOM 995 C SER A 61 10.536 21.186 24.107 1.00 0.00 C ATOM 996 O SER A 61 10.957 22.155 24.763 1.00 0.00 O ATOM 997 CB SER A 61 11.121 19.672 26.095 1.00 0.00 C ATOM 998 OG SER A 61 12.379 20.283 26.339 1.00 0.00 O ATOM 0 H SER A 61 12.719 19.150 24.197 1.00 0.00 H new ATOM 0 HA SER A 61 9.797 19.206 24.478 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.353 20.169 26.688 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.151 18.632 26.419 1.00 0.00 H new ATOM 0 HG SER A 61 12.389 21.180 25.944 1.00 0.00 H new ATOM 1004 N LYS A 62 9.933 21.323 22.914 1.00 0.00 N ATOM 1005 CA LYS A 62 9.677 22.624 22.284 1.00 0.00 C ATOM 1006 C LYS A 62 8.254 22.660 21.703 1.00 0.00 C ATOM 1007 O LYS A 62 7.965 22.033 20.677 1.00 0.00 O ATOM 1008 CB LYS A 62 10.732 22.925 21.182 1.00 0.00 C ATOM 1009 CG LYS A 62 10.545 24.286 20.464 1.00 0.00 C ATOM 1010 CD LYS A 62 10.574 25.489 21.437 1.00 0.00 C ATOM 1011 CE LYS A 62 10.247 26.820 20.739 1.00 0.00 C ATOM 1012 NZ LYS A 62 10.269 27.970 21.679 1.00 0.00 N ATOM 0 H LYS A 62 9.609 20.530 22.360 1.00 0.00 H new ATOM 0 HA LYS A 62 9.761 23.399 23.046 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.725 22.900 21.631 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.698 22.129 20.438 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.331 24.409 19.719 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.596 24.281 19.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.858 25.319 22.241 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.560 25.556 21.897 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.966 26.994 19.939 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.263 26.752 20.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.043 28.844 21.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.565 27.819 22.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.215 28.053 22.104 1.00 0.00 H new ATOM 1026 N ASP A 63 7.373 23.382 22.406 1.00 0.00 N ATOM 1027 CA ASP A 63 6.018 23.723 21.943 1.00 0.00 C ATOM 1028 C ASP A 63 6.109 24.939 20.981 1.00 0.00 C ATOM 1029 O ASP A 63 7.198 25.490 20.775 1.00 0.00 O ATOM 1030 CB ASP A 63 5.135 24.023 23.194 1.00 0.00 C ATOM 1031 CG ASP A 63 3.640 24.219 22.870 1.00 0.00 C ATOM 1032 OD1 ASP A 63 2.936 23.215 22.654 1.00 0.00 O ATOM 1033 OD2 ASP A 63 3.171 25.378 22.823 1.00 0.00 O ATOM 0 H ASP A 63 7.584 23.754 23.332 1.00 0.00 H new ATOM 0 HA ASP A 63 5.561 22.900 21.393 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.238 23.203 23.905 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.511 24.920 23.685 1.00 0.00 H new ATOM 1038 N LYS A 64 4.983 25.338 20.376 1.00 0.00 N ATOM 1039 CA LYS A 64 4.914 26.501 19.458 1.00 0.00 C ATOM 1040 C LYS A 64 4.952 27.863 20.242 1.00 0.00 C ATOM 1041 O LYS A 64 6.023 28.205 20.788 1.00 0.00 O ATOM 1042 CB LYS A 64 3.693 26.328 18.464 1.00 0.00 C ATOM 1043 CG LYS A 64 2.418 25.623 19.027 1.00 0.00 C ATOM 1044 CD LYS A 64 1.585 26.492 19.994 1.00 0.00 C ATOM 1045 CE LYS A 64 0.355 25.757 20.556 1.00 0.00 C ATOM 1046 NZ LYS A 64 -0.541 25.255 19.477 1.00 0.00 N ATOM 1047 OXT LYS A 64 3.950 28.601 20.288 1.00 0.00 O ATOM 0 H LYS A 64 4.087 24.867 20.504 1.00 0.00 H new ATOM 0 HA LYS A 64 5.807 26.535 18.833 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.404 27.316 18.106 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.038 25.764 17.598 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.786 25.321 18.192 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.719 24.712 19.544 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.218 26.814 20.821 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.257 27.392 19.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.684 24.920 21.172 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.203 26.431 21.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.412 24.873 19.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.782 26.036 18.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.056 24.505 18.944 1.00 0.00 H new TER 1061 LYS A 64