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 59 HIS : no HD1:sc= -0.099 X(o=-0.24,f=-0.14) USER MOD Set 1.2: A 60 MET CE :methyl -161:sc= -0.144 (180deg=-0.638) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0289 (180deg=0) 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+ -177:sc= 0 (180deg=-0.0286) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 0.0201 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.824 K(o=-0.82,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0129) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= -0.0603 (180deg=-0.363) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.201 USER MOD Single : A 38 THR OG1 : rot -101:sc= 0.255 USER MOD Single : A 43 HIS : no HE2:sc= 0.137 K(o=0.14,f=-0.54) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0727 K(o=-0.073,f=-1.3!) USER MOD Single : A 61 SER OG : rot -18:sc= 1.21 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.0711 (180deg=-0.453) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= -0.61 (180deg=-2.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.527 -1.643 -2.101 1.00 0.00 N ATOM 2 CA GLY A 1 2.654 -1.237 -1.239 1.00 0.00 C ATOM 3 C GLY A 1 3.316 0.051 -1.708 1.00 0.00 C ATOM 4 O GLY A 1 2.658 0.894 -2.334 1.00 0.00 O ATOM 0 H1 GLY A 1 0.685 -1.813 -1.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.325 -0.888 -2.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.776 -2.515 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.296 -1.106 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.396 -2.035 -1.217 1.00 0.00 H new ATOM 10 N ALA A 2 4.616 0.200 -1.396 1.00 0.00 N ATOM 11 CA ALA A 2 5.419 1.378 -1.773 1.00 0.00 C ATOM 12 C ALA A 2 6.876 0.953 -2.029 1.00 0.00 C ATOM 13 O ALA A 2 7.668 0.827 -1.091 1.00 0.00 O ATOM 14 CB ALA A 2 5.327 2.464 -0.677 1.00 0.00 C ATOM 0 H ALA A 2 5.143 -0.498 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 2 5.024 1.807 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.925 3.327 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.288 2.768 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.704 2.064 0.264 1.00 0.00 H new ATOM 20 N SER A 3 7.200 0.681 -3.306 1.00 0.00 N ATOM 21 CA SER A 3 8.550 0.271 -3.725 1.00 0.00 C ATOM 22 C SER A 3 9.506 1.482 -3.729 1.00 0.00 C ATOM 23 O SER A 3 9.274 2.457 -4.458 1.00 0.00 O ATOM 24 CB SER A 3 8.482 -0.374 -5.126 1.00 0.00 C ATOM 25 OG SER A 3 7.575 -1.462 -5.140 1.00 0.00 O ATOM 0 H SER A 3 6.533 0.740 -4.075 1.00 0.00 H new ATOM 0 HA SER A 3 8.937 -0.461 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.173 0.371 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.473 -0.718 -5.420 1.00 0.00 H new ATOM 0 HG SER A 3 7.547 -1.853 -6.038 1.00 0.00 H new ATOM 31 N GLY A 4 10.544 1.427 -2.879 1.00 0.00 N ATOM 32 CA GLY A 4 11.557 2.480 -2.801 1.00 0.00 C ATOM 33 C GLY A 4 12.209 2.541 -1.434 1.00 0.00 C ATOM 34 O GLY A 4 12.315 1.519 -0.750 1.00 0.00 O ATOM 0 H GLY A 4 10.700 0.654 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.320 2.305 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.098 3.442 -3.027 1.00 0.00 H new ATOM 38 N ASP A 5 12.651 3.745 -1.041 1.00 0.00 N ATOM 39 CA ASP A 5 13.258 3.996 0.277 1.00 0.00 C ATOM 40 C ASP A 5 12.154 4.147 1.324 1.00 0.00 C ATOM 41 O ASP A 5 12.258 3.651 2.450 1.00 0.00 O ATOM 42 CB ASP A 5 14.129 5.289 0.238 1.00 0.00 C ATOM 43 CG ASP A 5 15.338 5.176 -0.708 1.00 0.00 C ATOM 44 OD1 ASP A 5 15.162 5.297 -1.942 1.00 0.00 O ATOM 45 OD2 ASP A 5 16.474 4.968 -0.225 1.00 0.00 O ATOM 0 H ASP A 5 12.598 4.576 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 5 13.898 3.154 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.508 6.129 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.483 5.512 1.245 1.00 0.00 H new ATOM 50 N LEU A 6 11.065 4.799 0.906 1.00 0.00 N ATOM 51 CA LEU A 6 10.005 5.237 1.799 1.00 0.00 C ATOM 52 C LEU A 6 8.842 4.266 1.764 1.00 0.00 C ATOM 53 O LEU A 6 7.945 4.351 0.921 1.00 0.00 O ATOM 54 CB LEU A 6 9.558 6.675 1.449 1.00 0.00 C ATOM 55 CG LEU A 6 10.669 7.752 1.602 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.129 9.157 1.277 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.314 7.681 3.012 1.00 0.00 C ATOM 0 H LEU A 6 10.899 5.036 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 6 10.391 5.251 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.195 6.689 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.717 6.946 2.087 1.00 0.00 H new ATOM 0 HG LEU A 6 11.455 7.541 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.928 9.890 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.763 9.178 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.313 9.400 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.088 8.443 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.550 7.854 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.757 6.696 3.160 1.00 0.00 H new ATOM 69 N TYR A 7 8.949 3.281 2.634 1.00 0.00 N ATOM 70 CA TYR A 7 7.822 2.474 3.099 1.00 0.00 C ATOM 71 C TYR A 7 7.000 3.295 4.120 1.00 0.00 C ATOM 72 O TYR A 7 7.258 4.497 4.321 1.00 0.00 O ATOM 73 CB TYR A 7 8.373 1.162 3.712 1.00 0.00 C ATOM 74 CG TYR A 7 9.086 0.266 2.680 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.355 -0.551 1.818 1.00 0.00 C ATOM 76 CD2 TYR A 7 10.483 0.251 2.562 1.00 0.00 C ATOM 77 CE1 TYR A 7 8.983 -1.335 0.867 1.00 0.00 C ATOM 78 CE2 TYR A 7 11.114 -0.538 1.612 1.00 0.00 C ATOM 79 CZ TYR A 7 10.362 -1.334 0.773 1.00 0.00 C ATOM 80 OH TYR A 7 10.980 -2.123 -0.180 1.00 0.00 O ATOM 0 H TYR A 7 9.839 3.008 3.051 1.00 0.00 H new ATOM 0 HA TYR A 7 7.158 2.211 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.069 1.407 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.551 0.605 4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.278 -0.572 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 7 11.078 0.864 3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.396 -1.947 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.191 -0.529 1.529 1.00 0.00 H new ATOM 0 HH TYR A 7 11.951 -2.010 -0.118 1.00 0.00 H new ATOM 90 N GLU A 8 6.022 2.657 4.771 1.00 0.00 N ATOM 91 CA GLU A 8 5.149 3.329 5.728 1.00 0.00 C ATOM 92 C GLU A 8 5.921 3.513 7.026 1.00 0.00 C ATOM 93 O GLU A 8 6.066 2.569 7.806 1.00 0.00 O ATOM 94 CB GLU A 8 3.844 2.529 5.951 1.00 0.00 C ATOM 95 CG GLU A 8 2.954 3.064 7.093 1.00 0.00 C ATOM 96 CD GLU A 8 1.578 2.393 7.165 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.515 1.180 7.462 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.556 3.068 6.912 1.00 0.00 O ATOM 0 H GLU A 8 5.817 1.665 4.648 1.00 0.00 H new ATOM 0 HA GLU A 8 4.851 4.303 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.268 2.533 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.100 1.491 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.470 2.919 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.819 4.138 6.964 1.00 0.00 H new ATOM 105 N VAL A 9 6.496 4.712 7.191 1.00 0.00 N ATOM 106 CA VAL A 9 7.229 5.082 8.398 1.00 0.00 C ATOM 107 C VAL A 9 6.243 5.295 9.553 1.00 0.00 C ATOM 108 O VAL A 9 5.153 5.847 9.335 1.00 0.00 O ATOM 109 CB VAL A 9 8.150 6.334 8.175 1.00 0.00 C ATOM 110 CG1 VAL A 9 9.159 6.077 7.019 1.00 0.00 C ATOM 111 CG2 VAL A 9 7.336 7.634 7.944 1.00 0.00 C ATOM 0 H VAL A 9 6.463 5.450 6.488 1.00 0.00 H new ATOM 0 HA VAL A 9 7.899 4.262 8.657 1.00 0.00 H new ATOM 0 HB VAL A 9 8.717 6.486 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.787 6.957 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.785 5.220 7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.613 5.874 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.020 8.470 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.707 7.518 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.708 7.829 8.813 1.00 0.00 H new ATOM 121 N GLU A 10 6.580 4.812 10.767 1.00 0.00 N ATOM 122 CA GLU A 10 5.704 5.008 11.924 1.00 0.00 C ATOM 123 C GLU A 10 5.920 6.420 12.476 1.00 0.00 C ATOM 124 O GLU A 10 4.943 7.155 12.686 1.00 0.00 O ATOM 125 CB GLU A 10 5.905 3.924 13.011 1.00 0.00 C ATOM 126 CG GLU A 10 4.866 4.023 14.163 1.00 0.00 C ATOM 127 CD GLU A 10 4.693 2.745 14.994 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.582 1.650 14.398 1.00 0.00 O ATOM 129 OE2 GLU A 10 4.639 2.827 16.244 1.00 0.00 O ATOM 0 H GLU A 10 7.437 4.294 10.963 1.00 0.00 H new ATOM 0 HA GLU A 10 4.669 4.903 11.599 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.837 2.938 12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.909 4.014 13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.161 4.834 14.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.900 4.295 13.738 1.00 0.00 H new ATOM 136 N ARG A 11 7.210 6.812 12.645 1.00 0.00 N ATOM 137 CA ARG A 11 7.574 8.169 13.125 1.00 0.00 C ATOM 138 C ARG A 11 9.095 8.361 13.169 1.00 0.00 C ATOM 139 O ARG A 11 9.864 7.422 12.909 1.00 0.00 O ATOM 140 CB ARG A 11 6.954 8.458 14.530 1.00 0.00 C ATOM 141 CG ARG A 11 7.656 7.779 15.731 1.00 0.00 C ATOM 142 CD ARG A 11 6.785 7.790 17.003 1.00 0.00 C ATOM 143 NE ARG A 11 6.082 9.078 17.203 1.00 0.00 N ATOM 144 CZ ARG A 11 5.145 9.316 18.132 1.00 0.00 C ATOM 145 NH1 ARG A 11 4.888 8.434 19.087 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.492 10.463 18.111 1.00 0.00 N ATOM 0 H ARG A 11 8.011 6.209 12.457 1.00 0.00 H new ATOM 0 HA ARG A 11 7.161 8.882 12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.959 9.536 14.693 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.911 8.142 14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.901 6.749 15.471 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.598 8.289 15.934 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.052 6.986 16.943 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.413 7.585 17.870 1.00 0.00 H new ATOM 0 HE ARG A 11 6.331 9.848 16.582 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.407 7.557 19.124 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.171 8.633 19.785 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.702 11.157 17.393 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.777 10.656 18.812 1.00 0.00 H new ATOM 160 N ILE A 12 9.513 9.589 13.513 1.00 0.00 N ATOM 161 CA ILE A 12 10.922 9.924 13.719 1.00 0.00 C ATOM 162 C ILE A 12 11.328 9.602 15.170 1.00 0.00 C ATOM 163 O ILE A 12 10.658 10.013 16.123 1.00 0.00 O ATOM 164 CB ILE A 12 11.234 11.432 13.411 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.606 11.873 12.043 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.770 11.689 13.436 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.067 13.229 11.547 1.00 0.00 C ATOM 0 H ILE A 12 8.879 10.375 13.655 1.00 0.00 H new ATOM 0 HA ILE A 12 11.501 9.320 13.020 1.00 0.00 H new ATOM 0 HB ILE A 12 10.776 12.040 14.191 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.847 11.124 11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.521 11.887 12.144 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.967 12.739 13.220 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.164 11.441 14.421 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.255 11.067 12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.583 13.453 10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.802 13.993 12.278 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.148 13.218 11.410 1.00 0.00 H new ATOM 179 N VAL A 13 12.419 8.844 15.282 1.00 0.00 N ATOM 180 CA VAL A 13 13.066 8.467 16.543 1.00 0.00 C ATOM 181 C VAL A 13 13.989 9.610 17.028 1.00 0.00 C ATOM 182 O VAL A 13 13.865 10.089 18.163 1.00 0.00 O ATOM 183 CB VAL A 13 13.898 7.136 16.331 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.851 6.821 17.508 1.00 0.00 C ATOM 185 CG2 VAL A 13 12.962 5.940 16.037 1.00 0.00 C ATOM 0 H VAL A 13 12.896 8.460 14.466 1.00 0.00 H new ATOM 0 HA VAL A 13 12.305 8.293 17.304 1.00 0.00 H new ATOM 0 HB VAL A 13 14.533 7.304 15.461 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.392 5.897 17.301 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.562 7.638 17.629 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.272 6.705 18.424 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.558 5.038 15.895 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.280 5.797 16.875 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.388 6.141 15.133 1.00 0.00 H new ATOM 195 N ASP A 14 14.883 10.065 16.126 1.00 0.00 N ATOM 196 CA ASP A 14 15.979 10.993 16.464 1.00 0.00 C ATOM 197 C ASP A 14 16.502 11.642 15.158 1.00 0.00 C ATOM 198 O ASP A 14 15.901 11.466 14.103 1.00 0.00 O ATOM 199 CB ASP A 14 17.098 10.223 17.256 1.00 0.00 C ATOM 200 CG ASP A 14 18.177 11.119 17.898 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.889 12.291 18.220 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.320 10.648 18.082 1.00 0.00 O ATOM 0 H ASP A 14 14.864 9.798 15.142 1.00 0.00 H new ATOM 0 HA ASP A 14 15.628 11.794 17.115 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.625 9.631 18.040 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.585 9.523 16.578 1.00 0.00 H new ATOM 207 N LYS A 15 17.567 12.443 15.241 1.00 0.00 N ATOM 208 CA LYS A 15 18.283 12.969 14.065 1.00 0.00 C ATOM 209 C LYS A 15 19.791 12.925 14.332 1.00 0.00 C ATOM 210 O LYS A 15 20.220 12.761 15.481 1.00 0.00 O ATOM 211 CB LYS A 15 17.790 14.412 13.720 1.00 0.00 C ATOM 212 CG LYS A 15 18.175 15.521 14.737 1.00 0.00 C ATOM 213 CD LYS A 15 19.526 16.222 14.425 1.00 0.00 C ATOM 214 CE LYS A 15 19.949 17.198 15.539 1.00 0.00 C ATOM 215 NZ LYS A 15 18.942 18.260 15.761 1.00 0.00 N ATOM 0 H LYS A 15 17.963 12.750 16.129 1.00 0.00 H new ATOM 0 HA LYS A 15 18.071 12.347 13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.188 14.687 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.704 14.392 13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.384 16.271 14.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.226 15.084 15.734 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.302 15.468 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.443 16.764 13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.102 16.645 16.466 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.904 17.654 15.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.290 18.923 16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.776 18.773 14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.051 17.832 16.085 1.00 0.00 H new ATOM 229 N ARG A 16 20.577 13.056 13.258 1.00 0.00 N ATOM 230 CA ARG A 16 22.045 13.128 13.313 1.00 0.00 C ATOM 231 C ARG A 16 22.574 13.864 12.080 1.00 0.00 C ATOM 232 O ARG A 16 21.817 14.232 11.174 1.00 0.00 O ATOM 233 CB ARG A 16 22.705 11.720 13.412 1.00 0.00 C ATOM 234 CG ARG A 16 22.283 10.706 12.317 1.00 0.00 C ATOM 235 CD ARG A 16 21.051 9.877 12.720 1.00 0.00 C ATOM 236 NE ARG A 16 21.394 8.851 13.738 1.00 0.00 N ATOM 237 CZ ARG A 16 21.082 8.895 15.045 1.00 0.00 C ATOM 238 NH1 ARG A 16 20.392 9.893 15.548 1.00 0.00 N ATOM 239 NH2 ARG A 16 21.464 7.925 15.845 1.00 0.00 N ATOM 0 H ARG A 16 20.207 13.116 12.309 1.00 0.00 H new ATOM 0 HA ARG A 16 22.311 13.675 14.218 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.787 11.842 13.372 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.468 11.295 14.387 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.068 11.243 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.116 10.034 12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 16 20.279 10.538 13.114 1.00 0.00 H new ATOM 0 HD3 ARG A 16 20.634 9.391 11.838 1.00 0.00 H new ATOM 0 HE ARG A 16 21.916 8.036 13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 16 20.082 10.654 14.944 1.00 0.00 H new ATOM 0 HH12 ARG A 16 20.166 9.907 16.543 1.00 0.00 H new ATOM 0 HH21 ARG A 16 21.997 7.138 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 16 21.227 7.959 16.837 1.00 0.00 H new ATOM 253 N LYS A 17 23.885 14.089 12.087 1.00 0.00 N ATOM 254 CA LYS A 17 24.636 14.600 10.938 1.00 0.00 C ATOM 255 C LYS A 17 25.500 13.449 10.414 1.00 0.00 C ATOM 256 O LYS A 17 26.084 12.700 11.209 1.00 0.00 O ATOM 257 CB LYS A 17 25.518 15.851 11.336 1.00 0.00 C ATOM 258 CG LYS A 17 25.447 17.072 10.369 1.00 0.00 C ATOM 259 CD LYS A 17 24.296 18.072 10.664 1.00 0.00 C ATOM 260 CE LYS A 17 22.895 17.531 10.362 1.00 0.00 C ATOM 261 NZ LYS A 17 21.834 18.510 10.708 1.00 0.00 N ATOM 0 H LYS A 17 24.469 13.919 12.906 1.00 0.00 H new ATOM 0 HA LYS A 17 23.954 14.946 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.217 16.182 12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.557 15.530 11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.395 17.608 10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.337 16.704 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.342 18.361 11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.457 18.976 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.824 17.279 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.734 16.609 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.915 18.026 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.043 18.936 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.800 19.256 9.984 1.00 0.00 H new ATOM 275 N ASN A 18 25.531 13.279 9.087 1.00 0.00 N ATOM 276 CA ASN A 18 26.496 12.382 8.411 1.00 0.00 C ATOM 277 C ASN A 18 27.924 12.908 8.652 1.00 0.00 C ATOM 278 O ASN A 18 28.100 14.088 8.972 1.00 0.00 O ATOM 279 CB ASN A 18 26.170 12.331 6.884 1.00 0.00 C ATOM 280 CG ASN A 18 26.886 11.222 6.107 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.950 11.428 5.531 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.316 10.029 6.108 1.00 0.00 N ATOM 0 H ASN A 18 24.894 13.754 8.447 1.00 0.00 H new ATOM 0 HA ASN A 18 26.423 11.372 8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.094 12.204 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.430 13.292 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.761 9.251 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.431 9.887 6.595 1.00 0.00 H new ATOM 289 N LYS A 19 28.938 12.040 8.504 1.00 0.00 N ATOM 290 CA LYS A 19 30.373 12.451 8.571 1.00 0.00 C ATOM 291 C LYS A 19 30.740 13.456 7.446 1.00 0.00 C ATOM 292 O LYS A 19 31.779 14.111 7.502 1.00 0.00 O ATOM 293 CB LYS A 19 31.342 11.214 8.556 1.00 0.00 C ATOM 294 CG LYS A 19 31.367 10.348 7.263 1.00 0.00 C ATOM 295 CD LYS A 19 30.074 9.532 7.045 1.00 0.00 C ATOM 296 CE LYS A 19 30.146 8.562 5.855 1.00 0.00 C ATOM 297 NZ LYS A 19 31.090 7.441 6.101 1.00 0.00 N ATOM 0 H LYS A 19 28.802 11.043 8.336 1.00 0.00 H new ATOM 0 HA LYS A 19 30.505 12.960 9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.354 11.575 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 31.077 10.566 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 19 31.527 10.998 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 19 32.215 9.665 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.856 8.966 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 19 29.243 10.220 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.152 8.161 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.456 9.106 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.043 6.768 5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 32.058 7.813 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.831 6.956 6.984 1.00 0.00 H new ATOM 311 N LYS A 20 29.860 13.554 6.429 1.00 0.00 N ATOM 312 CA LYS A 20 29.940 14.549 5.332 1.00 0.00 C ATOM 313 C LYS A 20 29.078 15.805 5.661 1.00 0.00 C ATOM 314 O LYS A 20 28.799 16.638 4.792 1.00 0.00 O ATOM 315 CB LYS A 20 29.477 13.843 4.023 1.00 0.00 C ATOM 316 CG LYS A 20 29.780 14.580 2.693 1.00 0.00 C ATOM 317 CD LYS A 20 29.502 13.705 1.443 1.00 0.00 C ATOM 318 CE LYS A 20 28.063 13.172 1.389 1.00 0.00 C ATOM 319 NZ LYS A 20 27.838 12.299 0.215 1.00 0.00 N ATOM 0 H LYS A 20 29.056 12.932 6.342 1.00 0.00 H new ATOM 0 HA LYS A 20 30.961 14.908 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 29.945 12.860 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.401 13.681 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 20 29.175 15.485 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.824 14.893 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 20 29.700 14.291 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 20 30.195 12.864 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 27.848 12.615 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.367 14.010 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.854 11.961 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 28.018 12.837 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 28.484 11.485 0.259 1.00 0.00 H new ATOM 333 N GLY A 21 28.682 15.919 6.946 1.00 0.00 N ATOM 334 CA GLY A 21 27.908 17.048 7.471 1.00 0.00 C ATOM 335 C GLY A 21 26.516 17.199 6.869 1.00 0.00 C ATOM 336 O GLY A 21 25.963 18.303 6.846 1.00 0.00 O ATOM 0 H GLY A 21 28.897 15.216 7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.812 16.935 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.467 17.967 7.296 1.00 0.00 H new ATOM 340 N LYS A 22 25.938 16.080 6.398 1.00 0.00 N ATOM 341 CA LYS A 22 24.601 16.065 5.777 1.00 0.00 C ATOM 342 C LYS A 22 23.505 15.903 6.842 1.00 0.00 C ATOM 343 O LYS A 22 23.788 15.533 7.981 1.00 0.00 O ATOM 344 CB LYS A 22 24.507 14.941 4.716 1.00 0.00 C ATOM 345 CG LYS A 22 25.433 15.132 3.496 1.00 0.00 C ATOM 346 CD LYS A 22 25.181 16.479 2.768 1.00 0.00 C ATOM 347 CE LYS A 22 25.783 16.519 1.359 1.00 0.00 C ATOM 348 NZ LYS A 22 25.124 15.531 0.468 1.00 0.00 N ATOM 0 H LYS A 22 26.383 15.163 6.437 1.00 0.00 H new ATOM 0 HA LYS A 22 24.446 17.021 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.745 13.989 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.477 14.874 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.472 15.087 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.282 14.310 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.107 16.656 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.603 17.291 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.673 17.520 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.852 16.311 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 25.831 14.854 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.389 15.021 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 24.689 16.025 -0.337 1.00 0.00 H new ATOM 362 N TRP A 23 22.253 16.168 6.450 1.00 0.00 N ATOM 363 CA TRP A 23 21.106 16.172 7.370 1.00 0.00 C ATOM 364 C TRP A 23 20.445 14.792 7.356 1.00 0.00 C ATOM 365 O TRP A 23 19.875 14.397 6.345 1.00 0.00 O ATOM 366 CB TRP A 23 20.084 17.265 6.942 1.00 0.00 C ATOM 367 CG TRP A 23 20.704 18.613 6.681 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.852 19.641 7.569 1.00 0.00 C ATOM 369 CD2 TRP A 23 21.280 19.063 5.444 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.472 20.699 6.961 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.746 20.369 5.658 1.00 0.00 C ATOM 372 CE3 TRP A 23 21.438 18.486 4.173 1.00 0.00 C ATOM 373 CZ2 TRP A 23 22.368 21.105 4.660 1.00 0.00 C ATOM 374 CZ3 TRP A 23 22.059 19.217 3.183 1.00 0.00 C ATOM 375 CH2 TRP A 23 22.514 20.516 3.431 1.00 0.00 C ATOM 0 H TRP A 23 22.005 16.386 5.485 1.00 0.00 H new ATOM 0 HA TRP A 23 21.449 16.397 8.380 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.568 16.933 6.041 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.329 17.368 7.722 1.00 0.00 H new ATOM 0 HD1 TRP A 23 20.528 19.622 8.599 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.695 21.590 7.405 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.079 17.487 3.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 22.725 22.107 4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 22.196 18.781 2.204 1.00 0.00 H new ATOM 0 HH2 TRP A 23 22.992 21.068 2.635 1.00 0.00 H new ATOM 386 N GLU A 24 20.558 14.054 8.461 1.00 0.00 N ATOM 387 CA GLU A 24 19.913 12.743 8.639 1.00 0.00 C ATOM 388 C GLU A 24 18.882 12.834 9.759 1.00 0.00 C ATOM 389 O GLU A 24 19.019 13.633 10.696 1.00 0.00 O ATOM 390 CB GLU A 24 20.958 11.624 8.972 1.00 0.00 C ATOM 391 CG GLU A 24 21.588 10.886 7.761 1.00 0.00 C ATOM 392 CD GLU A 24 22.421 11.764 6.816 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.027 12.746 7.286 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.488 11.469 5.600 1.00 0.00 O ATOM 0 H GLU A 24 21.105 14.349 9.270 1.00 0.00 H new ATOM 0 HA GLU A 24 19.426 12.475 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.763 12.071 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.474 10.884 9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.222 10.083 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.789 10.419 7.186 1.00 0.00 H new ATOM 401 N TYR A 25 17.851 12.014 9.637 1.00 0.00 N ATOM 402 CA TYR A 25 16.857 11.782 10.670 1.00 0.00 C ATOM 403 C TYR A 25 16.741 10.274 10.868 1.00 0.00 C ATOM 404 O TYR A 25 16.549 9.525 9.905 1.00 0.00 O ATOM 405 CB TYR A 25 15.488 12.393 10.289 1.00 0.00 C ATOM 406 CG TYR A 25 15.397 13.916 10.433 1.00 0.00 C ATOM 407 CD1 TYR A 25 15.936 14.775 9.471 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.743 14.495 11.526 1.00 0.00 C ATOM 409 CE1 TYR A 25 15.833 16.146 9.599 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.640 15.866 11.653 1.00 0.00 C ATOM 411 CZ TYR A 25 15.184 16.685 10.688 1.00 0.00 C ATOM 412 OH TYR A 25 15.082 18.052 10.819 1.00 0.00 O ATOM 0 H TYR A 25 17.678 11.475 8.789 1.00 0.00 H new ATOM 0 HA TYR A 25 17.166 12.267 11.596 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.263 12.126 9.256 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.718 11.937 10.911 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.442 14.359 8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.311 13.858 12.284 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.260 16.794 8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.135 16.295 12.506 1.00 0.00 H new ATOM 0 HH TYR A 25 14.594 18.266 11.641 1.00 0.00 H new ATOM 422 N LEU A 26 16.901 9.852 12.116 1.00 0.00 N ATOM 423 CA LEU A 26 16.751 8.468 12.533 1.00 0.00 C ATOM 424 C LEU A 26 15.244 8.142 12.557 1.00 0.00 C ATOM 425 O LEU A 26 14.537 8.592 13.448 1.00 0.00 O ATOM 426 CB LEU A 26 17.393 8.302 13.941 1.00 0.00 C ATOM 427 CG LEU A 26 17.806 6.869 14.341 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.931 6.334 13.427 1.00 0.00 C ATOM 429 CD2 LEU A 26 18.204 6.809 15.835 1.00 0.00 C ATOM 0 H LEU A 26 17.144 10.479 12.883 1.00 0.00 H new ATOM 0 HA LEU A 26 17.250 7.782 11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.276 8.939 13.991 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.688 8.675 14.684 1.00 0.00 H new ATOM 0 HG LEU A 26 16.944 6.217 14.203 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.200 5.323 13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.584 6.319 12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.804 6.982 13.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.491 5.790 16.094 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.044 7.480 16.015 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.357 7.115 16.450 1.00 0.00 H new ATOM 441 N ILE A 27 14.761 7.440 11.527 1.00 0.00 N ATOM 442 CA ILE A 27 13.330 7.107 11.357 1.00 0.00 C ATOM 443 C ILE A 27 13.112 5.606 11.592 1.00 0.00 C ATOM 444 O ILE A 27 13.911 4.793 11.147 1.00 0.00 O ATOM 445 CB ILE A 27 12.801 7.429 9.891 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.365 8.769 9.322 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.249 7.430 9.845 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.875 10.008 10.024 1.00 0.00 C ATOM 0 H ILE A 27 15.352 7.081 10.777 1.00 0.00 H new ATOM 0 HA ILE A 27 12.785 7.715 12.079 1.00 0.00 H new ATOM 0 HB ILE A 27 13.173 6.630 9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.453 8.742 9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.103 8.838 8.266 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.915 7.653 8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.876 6.450 10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.865 8.188 10.528 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.320 10.889 9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.789 10.065 9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.161 9.968 11.075 1.00 0.00 H new ATOM 460 N ARG A 28 12.022 5.248 12.269 1.00 0.00 N ATOM 461 CA ARG A 28 11.541 3.859 12.316 1.00 0.00 C ATOM 462 C ARG A 28 10.321 3.737 11.391 1.00 0.00 C ATOM 463 O ARG A 28 9.447 4.638 11.377 1.00 0.00 O ATOM 464 CB ARG A 28 11.159 3.446 13.760 1.00 0.00 C ATOM 465 CG ARG A 28 10.076 4.337 14.406 1.00 0.00 C ATOM 466 CD ARG A 28 9.520 3.758 15.707 1.00 0.00 C ATOM 467 NE ARG A 28 8.822 2.478 15.484 1.00 0.00 N ATOM 468 CZ ARG A 28 7.814 2.012 16.230 1.00 0.00 C ATOM 469 NH1 ARG A 28 7.406 2.672 17.302 1.00 0.00 N ATOM 470 NH2 ARG A 28 7.198 0.887 15.885 1.00 0.00 N ATOM 0 H ARG A 28 11.448 5.904 12.798 1.00 0.00 H new ATOM 0 HA ARG A 28 12.337 3.192 11.984 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.807 2.414 13.750 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.054 3.471 14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.496 5.323 14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.259 4.476 13.698 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.335 3.609 16.416 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.832 4.473 16.158 1.00 0.00 H new ATOM 0 HE ARG A 28 9.132 1.904 14.700 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.861 3.546 17.567 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.636 2.307 17.863 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.494 0.379 15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.429 0.531 16.454 1.00 0.00 H new ATOM 484 N TRP A 29 10.259 2.650 10.596 1.00 0.00 N ATOM 485 CA TRP A 29 9.062 2.342 9.790 1.00 0.00 C ATOM 486 C TRP A 29 8.264 1.172 10.370 1.00 0.00 C ATOM 487 O TRP A 29 8.817 0.231 10.962 1.00 0.00 O ATOM 488 CB TRP A 29 9.355 2.185 8.261 1.00 0.00 C ATOM 489 CG TRP A 29 10.383 1.172 7.839 1.00 0.00 C ATOM 490 CD1 TRP A 29 11.740 1.300 7.889 1.00 0.00 C ATOM 491 CD2 TRP A 29 10.120 -0.084 7.202 1.00 0.00 C ATOM 492 NE1 TRP A 29 12.332 0.182 7.369 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.360 -0.679 6.936 1.00 0.00 C ATOM 494 CE3 TRP A 29 8.949 -0.764 6.853 1.00 0.00 C ATOM 495 CZ2 TRP A 29 11.470 -1.922 6.330 1.00 0.00 C ATOM 496 CZ3 TRP A 29 9.057 -1.998 6.245 1.00 0.00 C ATOM 497 CH2 TRP A 29 10.311 -2.565 5.989 1.00 0.00 C ATOM 0 H TRP A 29 11.018 1.976 10.495 1.00 0.00 H new ATOM 0 HA TRP A 29 8.422 3.222 9.860 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.417 1.935 7.765 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.668 3.157 7.880 1.00 0.00 H new ATOM 0 HD1 TRP A 29 12.268 2.157 8.281 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.337 0.016 7.313 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.980 -0.332 7.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.435 -2.366 6.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.162 -2.533 5.963 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.365 -3.532 5.511 1.00 0.00 H new ATOM 508 N LYS A 30 6.933 1.289 10.190 1.00 0.00 N ATOM 509 CA LYS A 30 5.924 0.422 10.796 1.00 0.00 C ATOM 510 C LYS A 30 6.109 -1.044 10.367 1.00 0.00 C ATOM 511 O LYS A 30 6.515 -1.327 9.233 1.00 0.00 O ATOM 512 CB LYS A 30 4.507 0.924 10.419 1.00 0.00 C ATOM 513 CG LYS A 30 3.372 0.255 11.233 1.00 0.00 C ATOM 514 CD LYS A 30 1.960 0.649 10.759 1.00 0.00 C ATOM 515 CE LYS A 30 0.851 -0.049 11.566 1.00 0.00 C ATOM 516 NZ LYS A 30 -0.498 0.262 11.039 1.00 0.00 N ATOM 0 H LYS A 30 6.527 2.014 9.599 1.00 0.00 H new ATOM 0 HA LYS A 30 6.044 0.463 11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.462 2.003 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.337 0.742 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.479 -0.828 11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.482 0.524 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.841 1.729 10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.851 0.397 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.010 -1.127 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.913 0.260 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.215 -0.228 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.660 1.288 11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.567 -0.056 10.051 1.00 0.00 H new ATOM 530 N GLY A 31 5.781 -1.958 11.291 1.00 0.00 N ATOM 531 CA GLY A 31 6.100 -3.380 11.161 1.00 0.00 C ATOM 532 C GLY A 31 7.251 -3.733 12.082 1.00 0.00 C ATOM 533 O GLY A 31 7.326 -4.850 12.603 1.00 0.00 O ATOM 0 H GLY A 31 5.285 -1.727 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.226 -3.982 11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.364 -3.610 10.129 1.00 0.00 H new ATOM 537 N TYR A 32 8.147 -2.748 12.283 1.00 0.00 N ATOM 538 CA TYR A 32 9.311 -2.857 13.165 1.00 0.00 C ATOM 539 C TYR A 32 9.233 -1.776 14.258 1.00 0.00 C ATOM 540 O TYR A 32 8.688 -0.684 14.025 1.00 0.00 O ATOM 541 CB TYR A 32 10.602 -2.712 12.336 1.00 0.00 C ATOM 542 CG TYR A 32 10.777 -3.762 11.231 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.222 -3.573 9.959 1.00 0.00 C ATOM 544 CD2 TYR A 32 11.500 -4.940 11.452 1.00 0.00 C ATOM 545 CE1 TYR A 32 10.380 -4.521 8.963 1.00 0.00 C ATOM 546 CE2 TYR A 32 11.658 -5.884 10.454 1.00 0.00 C ATOM 547 CZ TYR A 32 11.099 -5.669 9.213 1.00 0.00 C ATOM 548 OH TYR A 32 11.256 -6.609 8.214 1.00 0.00 O ATOM 0 H TYR A 32 8.075 -1.839 11.825 1.00 0.00 H new ATOM 0 HA TYR A 32 9.320 -3.834 13.648 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.616 -1.721 11.882 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.458 -2.767 13.009 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.662 -2.673 9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.943 -5.115 12.421 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.940 -4.361 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.218 -6.787 10.647 1.00 0.00 H new ATOM 0 HH TYR A 32 11.789 -7.359 8.551 1.00 0.00 H new ATOM 558 N GLY A 33 9.785 -2.090 15.449 1.00 0.00 N ATOM 559 CA GLY A 33 9.768 -1.180 16.604 1.00 0.00 C ATOM 560 C GLY A 33 10.765 -0.028 16.482 1.00 0.00 C ATOM 561 O GLY A 33 11.163 0.344 15.371 1.00 0.00 O ATOM 0 H GLY A 33 10.252 -2.978 15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.764 -0.772 16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.988 -1.748 17.508 1.00 0.00 H new ATOM 565 N SER A 34 11.170 0.543 17.627 1.00 0.00 N ATOM 566 CA SER A 34 12.186 1.615 17.677 1.00 0.00 C ATOM 567 C SER A 34 13.591 1.073 17.315 1.00 0.00 C ATOM 568 O SER A 34 14.486 1.848 17.018 1.00 0.00 O ATOM 569 CB SER A 34 12.201 2.270 19.075 1.00 0.00 C ATOM 570 OG SER A 34 10.934 2.819 19.391 1.00 0.00 O ATOM 0 H SER A 34 10.806 0.279 18.543 1.00 0.00 H new ATOM 0 HA SER A 34 11.920 2.370 16.937 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.478 1.529 19.825 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.959 3.053 19.106 1.00 0.00 H new ATOM 0 HG SER A 34 10.967 3.227 20.282 1.00 0.00 H new ATOM 576 N THR A 35 13.753 -0.273 17.335 1.00 0.00 N ATOM 577 CA THR A 35 15.015 -0.957 16.964 1.00 0.00 C ATOM 578 C THR A 35 15.255 -0.935 15.425 1.00 0.00 C ATOM 579 O THR A 35 16.333 -1.316 14.948 1.00 0.00 O ATOM 580 CB THR A 35 15.023 -2.430 17.508 1.00 0.00 C ATOM 581 OG1 THR A 35 16.313 -3.040 17.320 1.00 0.00 O ATOM 582 CG2 THR A 35 13.946 -3.301 16.832 1.00 0.00 C ATOM 0 H THR A 35 13.010 -0.915 17.610 1.00 0.00 H new ATOM 0 HA THR A 35 15.835 -0.409 17.428 1.00 0.00 H new ATOM 0 HB THR A 35 14.799 -2.371 18.573 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.727 -2.686 16.505 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.987 -4.312 17.238 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.961 -2.874 17.021 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.127 -3.334 15.758 1.00 0.00 H new ATOM 590 N GLU A 36 14.230 -0.492 14.670 1.00 0.00 N ATOM 591 CA GLU A 36 14.310 -0.269 13.213 1.00 0.00 C ATOM 592 C GLU A 36 15.192 0.949 12.887 1.00 0.00 C ATOM 593 O GLU A 36 15.861 0.966 11.848 1.00 0.00 O ATOM 594 CB GLU A 36 12.879 -0.058 12.656 1.00 0.00 C ATOM 595 CG GLU A 36 12.785 0.262 11.149 1.00 0.00 C ATOM 596 CD GLU A 36 13.559 -0.719 10.241 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.298 -1.937 10.291 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.421 -0.266 9.458 1.00 0.00 O ATOM 0 H GLU A 36 13.312 -0.276 15.060 1.00 0.00 H new ATOM 0 HA GLU A 36 14.765 -1.142 12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.296 -0.957 12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.410 0.755 13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.736 0.261 10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.162 1.270 10.979 1.00 0.00 H new ATOM 605 N ASP A 37 15.191 1.905 13.836 1.00 0.00 N ATOM 606 CA ASP A 37 15.775 3.261 13.724 1.00 0.00 C ATOM 607 C ASP A 37 16.954 3.378 12.708 1.00 0.00 C ATOM 608 O ASP A 37 18.102 3.029 12.990 1.00 0.00 O ATOM 609 CB ASP A 37 16.197 3.731 15.151 1.00 0.00 C ATOM 610 CG ASP A 37 17.351 2.902 15.781 1.00 0.00 C ATOM 611 OD1 ASP A 37 17.161 1.704 16.064 1.00 0.00 O ATOM 612 OD2 ASP A 37 18.466 3.439 15.958 1.00 0.00 O ATOM 0 H ASP A 37 14.762 1.747 14.748 1.00 0.00 H new ATOM 0 HA ASP A 37 15.008 3.917 13.312 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.501 4.777 15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.329 3.682 15.809 1.00 0.00 H new ATOM 617 N THR A 38 16.635 3.846 11.495 1.00 0.00 N ATOM 618 CA THR A 38 17.590 3.950 10.380 1.00 0.00 C ATOM 619 C THR A 38 17.730 5.428 9.957 1.00 0.00 C ATOM 620 O THR A 38 16.754 6.165 9.923 1.00 0.00 O ATOM 621 CB THR A 38 17.136 3.035 9.186 1.00 0.00 C ATOM 622 OG1 THR A 38 18.045 3.161 8.080 1.00 0.00 O ATOM 623 CG2 THR A 38 15.693 3.329 8.720 1.00 0.00 C ATOM 0 H THR A 38 15.697 4.167 11.255 1.00 0.00 H new ATOM 0 HA THR A 38 18.571 3.598 10.700 1.00 0.00 H new ATOM 0 HB THR A 38 17.151 2.010 9.557 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.660 3.760 7.407 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.435 2.667 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.003 3.163 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.621 4.365 8.390 1.00 0.00 H new ATOM 631 N TRP A 39 18.958 5.835 9.609 1.00 0.00 N ATOM 632 CA TRP A 39 19.336 7.262 9.441 1.00 0.00 C ATOM 633 C TRP A 39 19.070 7.736 8.000 1.00 0.00 C ATOM 634 O TRP A 39 19.976 7.785 7.154 1.00 0.00 O ATOM 635 CB TRP A 39 20.818 7.491 9.897 1.00 0.00 C ATOM 636 CG TRP A 39 21.817 6.467 9.373 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.616 6.572 8.270 1.00 0.00 C ATOM 638 CD2 TRP A 39 22.105 5.180 9.947 1.00 0.00 C ATOM 639 NE1 TRP A 39 23.364 5.433 8.116 1.00 0.00 N ATOM 640 CE2 TRP A 39 23.070 4.567 9.134 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.632 4.490 11.072 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.572 3.294 9.402 1.00 0.00 C ATOM 643 CZ3 TRP A 39 22.129 3.233 11.340 1.00 0.00 C ATOM 644 CH2 TRP A 39 23.090 2.644 10.508 1.00 0.00 C ATOM 0 H TRP A 39 19.727 5.188 9.433 1.00 0.00 H new ATOM 0 HA TRP A 39 18.707 7.876 10.086 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.133 8.483 9.573 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.852 7.486 10.986 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.653 7.429 7.614 1.00 0.00 H new ATOM 0 HE1 TRP A 39 24.031 5.259 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.890 4.936 11.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 24.313 2.838 8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.772 2.694 12.205 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.459 1.657 10.743 1.00 0.00 H new ATOM 655 N GLU A 40 17.798 8.052 7.724 1.00 0.00 N ATOM 656 CA GLU A 40 17.342 8.450 6.387 1.00 0.00 C ATOM 657 C GLU A 40 17.757 9.907 6.087 1.00 0.00 C ATOM 658 O GLU A 40 17.655 10.764 6.973 1.00 0.00 O ATOM 659 CB GLU A 40 15.798 8.290 6.279 1.00 0.00 C ATOM 660 CG GLU A 40 15.279 6.854 6.530 1.00 0.00 C ATOM 661 CD GLU A 40 15.887 5.818 5.567 1.00 0.00 C ATOM 662 OE1 GLU A 40 15.461 5.764 4.390 1.00 0.00 O ATOM 663 OE2 GLU A 40 16.807 5.064 5.967 1.00 0.00 O ATOM 0 H GLU A 40 17.055 8.039 8.423 1.00 0.00 H new ATOM 0 HA GLU A 40 17.813 7.801 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.325 8.963 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.482 8.608 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.507 6.565 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.194 6.843 6.429 1.00 0.00 H new ATOM 670 N PRO A 41 18.248 10.209 4.841 1.00 0.00 N ATOM 671 CA PRO A 41 18.584 11.589 4.432 1.00 0.00 C ATOM 672 C PRO A 41 17.314 12.467 4.404 1.00 0.00 C ATOM 673 O PRO A 41 16.267 12.017 3.948 1.00 0.00 O ATOM 674 CB PRO A 41 19.212 11.413 3.021 1.00 0.00 C ATOM 675 CG PRO A 41 18.676 10.108 2.520 1.00 0.00 C ATOM 676 CD PRO A 41 18.514 9.232 3.748 1.00 0.00 C ATOM 0 HA PRO A 41 19.265 12.094 5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 18.934 12.234 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.301 11.399 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.723 10.246 2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.359 9.654 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.691 8.526 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.412 8.646 3.944 1.00 0.00 H new ATOM 684 N GLU A 42 17.439 13.699 4.911 1.00 0.00 N ATOM 685 CA GLU A 42 16.330 14.669 5.044 1.00 0.00 C ATOM 686 C GLU A 42 15.703 14.994 3.679 1.00 0.00 C ATOM 687 O GLU A 42 14.493 15.135 3.573 1.00 0.00 O ATOM 688 CB GLU A 42 16.834 15.953 5.801 1.00 0.00 C ATOM 689 CG GLU A 42 15.983 17.255 5.671 1.00 0.00 C ATOM 690 CD GLU A 42 16.399 18.139 4.472 1.00 0.00 C ATOM 691 OE1 GLU A 42 17.548 18.637 4.469 1.00 0.00 O ATOM 692 OE2 GLU A 42 15.610 18.307 3.513 1.00 0.00 O ATOM 0 H GLU A 42 18.330 14.063 5.249 1.00 0.00 H new ATOM 0 HA GLU A 42 15.535 14.222 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.912 15.708 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.842 16.175 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.932 16.985 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.075 17.834 6.590 1.00 0.00 H new ATOM 699 N HIS A 43 16.533 15.058 2.622 1.00 0.00 N ATOM 700 CA HIS A 43 16.055 15.340 1.241 1.00 0.00 C ATOM 701 C HIS A 43 15.139 14.213 0.703 1.00 0.00 C ATOM 702 O HIS A 43 14.427 14.409 -0.288 1.00 0.00 O ATOM 703 CB HIS A 43 17.254 15.553 0.280 1.00 0.00 C ATOM 704 CG HIS A 43 18.143 16.721 0.622 1.00 0.00 C ATOM 705 ND1 HIS A 43 17.714 17.834 1.320 1.00 0.00 N ATOM 706 CD2 HIS A 43 19.452 16.944 0.351 1.00 0.00 C ATOM 707 CE1 HIS A 43 18.716 18.681 1.457 1.00 0.00 C ATOM 708 NE2 HIS A 43 19.779 18.167 0.878 1.00 0.00 N ATOM 0 H HIS A 43 17.541 14.919 2.690 1.00 0.00 H new ATOM 0 HA HIS A 43 15.465 16.255 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.858 14.646 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.870 15.691 -0.731 1.00 0.00 H new ATOM 0 HD1 HIS A 43 16.769 17.978 1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.116 16.280 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 43 18.671 19.636 1.960 1.00 0.00 H new ATOM 717 N HIS A 44 15.162 13.046 1.380 1.00 0.00 N ATOM 718 CA HIS A 44 14.371 11.854 1.009 1.00 0.00 C ATOM 719 C HIS A 44 13.637 11.242 2.226 1.00 0.00 C ATOM 720 O HIS A 44 13.155 10.116 2.113 1.00 0.00 O ATOM 721 CB HIS A 44 15.294 10.758 0.386 1.00 0.00 C ATOM 722 CG HIS A 44 15.870 11.070 -0.964 1.00 0.00 C ATOM 723 ND1 HIS A 44 17.104 10.617 -1.380 1.00 0.00 N ATOM 724 CD2 HIS A 44 15.345 11.738 -2.013 1.00 0.00 C ATOM 725 CE1 HIS A 44 17.313 11.004 -2.622 1.00 0.00 C ATOM 726 NE2 HIS A 44 16.260 11.682 -3.031 1.00 0.00 N ATOM 0 H HIS A 44 15.738 12.903 2.210 1.00 0.00 H new ATOM 0 HA HIS A 44 13.629 12.185 0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.117 10.570 1.075 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.724 9.832 0.310 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.382 12.226 -2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 44 18.198 10.800 -3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 44 16.145 12.098 -3.955 1.00 0.00 H new ATOM 735 N LEU A 45 13.533 11.950 3.380 1.00 0.00 N ATOM 736 CA LEU A 45 12.987 11.307 4.616 1.00 0.00 C ATOM 737 C LEU A 45 11.445 11.170 4.552 1.00 0.00 C ATOM 738 O LEU A 45 10.903 10.120 4.900 1.00 0.00 O ATOM 739 CB LEU A 45 13.440 12.028 5.939 1.00 0.00 C ATOM 740 CG LEU A 45 12.492 13.126 6.560 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.821 13.391 8.037 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.512 14.449 5.756 1.00 0.00 C ATOM 0 H LEU A 45 13.806 12.927 3.487 1.00 0.00 H new ATOM 0 HA LEU A 45 13.416 10.305 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.600 11.261 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.407 12.494 5.748 1.00 0.00 H new ATOM 0 HG LEU A 45 11.481 12.722 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.147 14.153 8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.699 12.470 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.851 13.738 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.843 15.170 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.525 14.850 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.182 14.259 4.735 1.00 0.00 H new ATOM 754 N LEU A 46 10.770 12.243 4.085 1.00 0.00 N ATOM 755 CA LEU A 46 9.289 12.387 4.087 1.00 0.00 C ATOM 756 C LEU A 46 8.906 13.632 3.277 1.00 0.00 C ATOM 757 O LEU A 46 9.609 14.648 3.327 1.00 0.00 O ATOM 758 CB LEU A 46 8.719 12.509 5.554 1.00 0.00 C ATOM 759 CG LEU A 46 8.397 11.158 6.274 1.00 0.00 C ATOM 760 CD1 LEU A 46 8.141 11.349 7.781 1.00 0.00 C ATOM 761 CD2 LEU A 46 7.213 10.443 5.581 1.00 0.00 C ATOM 0 H LEU A 46 11.245 13.053 3.687 1.00 0.00 H new ATOM 0 HA LEU A 46 8.856 11.494 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.440 13.059 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.809 13.107 5.521 1.00 0.00 H new ATOM 0 HG LEU A 46 9.277 10.521 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.922 10.384 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.027 11.779 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.293 12.019 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.003 9.505 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.331 11.082 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.470 10.237 4.542 1.00 0.00 H new ATOM 773 N HIS A 47 7.765 13.558 2.569 1.00 0.00 N ATOM 774 CA HIS A 47 7.264 14.657 1.715 1.00 0.00 C ATOM 775 C HIS A 47 6.764 15.855 2.565 1.00 0.00 C ATOM 776 O HIS A 47 6.742 16.996 2.092 1.00 0.00 O ATOM 777 CB HIS A 47 6.133 14.121 0.791 1.00 0.00 C ATOM 778 CG HIS A 47 5.619 15.117 -0.212 1.00 0.00 C ATOM 779 ND1 HIS A 47 4.363 15.677 -0.153 1.00 0.00 N ATOM 780 CD2 HIS A 47 6.213 15.658 -1.299 1.00 0.00 C ATOM 781 CE1 HIS A 47 4.211 16.523 -1.152 1.00 0.00 C ATOM 782 NE2 HIS A 47 5.318 16.532 -1.864 1.00 0.00 N ATOM 0 H HIS A 47 7.162 12.735 2.571 1.00 0.00 H new ATOM 0 HA HIS A 47 8.087 15.022 1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.502 13.245 0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.301 13.788 1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.209 15.442 -1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.327 17.110 -1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.483 17.095 -2.698 1.00 0.00 H new ATOM 791 N CYS A 48 6.392 15.584 3.827 1.00 0.00 N ATOM 792 CA CYS A 48 5.816 16.573 4.736 1.00 0.00 C ATOM 793 C CYS A 48 6.790 16.867 5.885 1.00 0.00 C ATOM 794 O CYS A 48 7.246 15.943 6.572 1.00 0.00 O ATOM 795 CB CYS A 48 4.482 16.041 5.291 1.00 0.00 C ATOM 796 SG CYS A 48 3.250 15.663 4.020 1.00 0.00 S ATOM 0 H CYS A 48 6.487 14.658 4.244 1.00 0.00 H new ATOM 0 HA CYS A 48 5.635 17.500 4.192 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.676 15.140 5.872 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.066 16.779 5.977 1.00 0.00 H new ATOM 0 HG CYS A 48 2.166 15.221 4.585 1.00 0.00 H new ATOM 802 N GLU A 49 7.073 18.165 6.086 1.00 0.00 N ATOM 803 CA GLU A 49 7.873 18.681 7.218 1.00 0.00 C ATOM 804 C GLU A 49 7.089 18.551 8.556 1.00 0.00 C ATOM 805 O GLU A 49 7.655 18.711 9.640 1.00 0.00 O ATOM 806 CB GLU A 49 8.249 20.172 6.963 1.00 0.00 C ATOM 807 CG GLU A 49 9.260 20.788 7.969 1.00 0.00 C ATOM 808 CD GLU A 49 9.261 22.326 7.981 1.00 0.00 C ATOM 809 OE1 GLU A 49 9.891 22.947 7.103 1.00 0.00 O ATOM 810 OE2 GLU A 49 8.625 22.925 8.872 1.00 0.00 O ATOM 0 H GLU A 49 6.748 18.900 5.458 1.00 0.00 H new ATOM 0 HA GLU A 49 8.784 18.087 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.665 20.257 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.336 20.767 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.029 20.426 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.262 20.435 7.726 1.00 0.00 H new ATOM 817 N GLU A 50 5.784 18.264 8.444 1.00 0.00 N ATOM 818 CA GLU A 50 4.845 18.136 9.578 1.00 0.00 C ATOM 819 C GLU A 50 5.358 17.120 10.627 1.00 0.00 C ATOM 820 O GLU A 50 5.347 17.383 11.834 1.00 0.00 O ATOM 821 CB GLU A 50 3.455 17.696 9.037 1.00 0.00 C ATOM 822 CG GLU A 50 3.002 18.462 7.776 1.00 0.00 C ATOM 823 CD GLU A 50 1.568 18.128 7.346 1.00 0.00 C ATOM 824 OE1 GLU A 50 0.623 18.622 7.991 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.377 17.360 6.376 1.00 0.00 O ATOM 0 H GLU A 50 5.337 18.110 7.540 1.00 0.00 H new ATOM 0 HA GLU A 50 4.762 19.103 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.485 16.630 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.711 17.835 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.078 19.533 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.683 18.233 6.956 1.00 0.00 H new ATOM 832 N PHE A 51 5.843 15.979 10.121 1.00 0.00 N ATOM 833 CA PHE A 51 6.397 14.890 10.952 1.00 0.00 C ATOM 834 C PHE A 51 7.693 15.335 11.656 1.00 0.00 C ATOM 835 O PHE A 51 7.946 14.963 12.803 1.00 0.00 O ATOM 836 CB PHE A 51 6.669 13.642 10.090 1.00 0.00 C ATOM 837 CG PHE A 51 5.436 13.090 9.388 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.063 13.544 8.127 1.00 0.00 C ATOM 839 CD2 PHE A 51 4.656 12.115 9.996 1.00 0.00 C ATOM 840 CE1 PHE A 51 3.946 13.036 7.499 1.00 0.00 C ATOM 841 CE2 PHE A 51 3.539 11.610 9.368 1.00 0.00 C ATOM 842 CZ PHE A 51 3.181 12.070 8.121 1.00 0.00 C ATOM 0 H PHE A 51 5.865 15.780 9.121 1.00 0.00 H new ATOM 0 HA PHE A 51 5.659 14.642 11.715 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.421 13.888 9.340 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.093 12.862 10.723 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.655 14.302 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.929 11.748 10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.669 13.394 6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.943 10.852 9.855 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.303 11.676 7.630 1.00 0.00 H new ATOM 852 N ILE A 52 8.493 16.157 10.955 1.00 0.00 N ATOM 853 CA ILE A 52 9.735 16.752 11.493 1.00 0.00 C ATOM 854 C ILE A 52 9.374 17.678 12.671 1.00 0.00 C ATOM 855 O ILE A 52 10.069 17.710 13.698 1.00 0.00 O ATOM 856 CB ILE A 52 10.548 17.532 10.370 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.127 16.552 9.285 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.678 18.408 10.969 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.101 15.855 8.393 1.00 0.00 C ATOM 0 H ILE A 52 8.297 16.431 9.992 1.00 0.00 H new ATOM 0 HA ILE A 52 10.388 15.954 11.847 1.00 0.00 H new ATOM 0 HB ILE A 52 9.837 18.198 9.882 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.812 17.112 8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.716 15.788 9.792 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.205 18.921 10.165 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.247 19.144 11.648 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.377 17.776 11.516 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.616 15.206 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.428 15.259 9.009 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.526 16.603 7.847 1.00 0.00 H new ATOM 871 N ASP A 53 8.229 18.372 12.537 1.00 0.00 N ATOM 872 CA ASP A 53 7.705 19.248 13.593 1.00 0.00 C ATOM 873 C ASP A 53 7.272 18.380 14.798 1.00 0.00 C ATOM 874 O ASP A 53 7.539 18.735 15.954 1.00 0.00 O ATOM 875 CB ASP A 53 6.530 20.113 13.063 1.00 0.00 C ATOM 876 CG ASP A 53 6.248 21.356 13.936 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.513 21.252 14.945 1.00 0.00 O ATOM 878 OD2 ASP A 53 6.760 22.448 13.607 1.00 0.00 O ATOM 0 H ASP A 53 7.647 18.340 11.700 1.00 0.00 H new ATOM 0 HA ASP A 53 8.485 19.937 13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.754 20.434 12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.630 19.500 13.013 1.00 0.00 H new ATOM 883 N GLU A 54 6.682 17.187 14.502 1.00 0.00 N ATOM 884 CA GLU A 54 6.294 16.209 15.546 1.00 0.00 C ATOM 885 C GLU A 54 7.547 15.750 16.301 1.00 0.00 C ATOM 886 O GLU A 54 7.515 15.592 17.528 1.00 0.00 O ATOM 887 CB GLU A 54 5.553 14.965 14.961 1.00 0.00 C ATOM 888 CG GLU A 54 5.457 13.771 15.953 1.00 0.00 C ATOM 889 CD GLU A 54 4.624 12.587 15.462 1.00 0.00 C ATOM 890 OE1 GLU A 54 3.386 12.718 15.397 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.196 11.517 15.157 1.00 0.00 O ATOM 0 H GLU A 54 6.468 16.886 13.551 1.00 0.00 H new ATOM 0 HA GLU A 54 5.599 16.710 16.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.547 15.260 14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.070 14.636 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.465 13.420 16.174 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.032 14.130 16.890 1.00 0.00 H new ATOM 898 N PHE A 55 8.659 15.589 15.551 1.00 0.00 N ATOM 899 CA PHE A 55 9.936 15.147 16.106 1.00 0.00 C ATOM 900 C PHE A 55 10.398 16.155 17.166 1.00 0.00 C ATOM 901 O PHE A 55 10.764 15.764 18.270 1.00 0.00 O ATOM 902 CB PHE A 55 10.998 14.967 14.985 1.00 0.00 C ATOM 903 CG PHE A 55 12.428 14.865 15.492 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.799 13.845 16.360 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.390 15.812 15.137 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.074 13.778 16.856 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.673 15.733 15.632 1.00 0.00 C ATOM 908 CZ PHE A 55 15.013 14.717 16.496 1.00 0.00 C ATOM 0 H PHE A 55 8.686 15.764 14.547 1.00 0.00 H new ATOM 0 HA PHE A 55 9.809 14.173 16.579 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.761 14.068 14.416 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.928 15.808 14.295 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.074 13.097 16.646 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.125 16.616 14.466 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.344 12.982 17.535 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.411 16.467 15.343 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.016 14.657 16.891 1.00 0.00 H new ATOM 918 N ASN A 56 10.258 17.453 16.836 1.00 0.00 N ATOM 919 CA ASN A 56 10.645 18.566 17.725 1.00 0.00 C ATOM 920 C ASN A 56 9.856 18.457 19.044 1.00 0.00 C ATOM 921 O ASN A 56 10.409 18.657 20.135 1.00 0.00 O ATOM 922 CB ASN A 56 10.378 19.915 16.993 1.00 0.00 C ATOM 923 CG ASN A 56 10.871 21.181 17.718 1.00 0.00 C ATOM 924 OD1 ASN A 56 10.834 21.295 18.941 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.328 22.157 16.949 1.00 0.00 N ATOM 0 H ASN A 56 9.872 17.760 15.943 1.00 0.00 H new ATOM 0 HA ASN A 56 11.707 18.520 17.968 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.851 19.874 16.012 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.305 20.010 16.826 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.659 23.025 17.370 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.350 22.040 15.936 1.00 0.00 H new ATOM 932 N GLY A 57 8.580 18.047 18.910 1.00 0.00 N ATOM 933 CA GLY A 57 7.684 17.876 20.042 1.00 0.00 C ATOM 934 C GLY A 57 8.027 16.668 20.920 1.00 0.00 C ATOM 935 O GLY A 57 8.079 16.797 22.142 1.00 0.00 O ATOM 0 H GLY A 57 8.153 17.828 18.010 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.709 18.778 20.654 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.664 17.769 19.674 1.00 0.00 H new ATOM 939 N LEU A 58 8.308 15.494 20.305 1.00 0.00 N ATOM 940 CA LEU A 58 8.443 14.215 21.061 1.00 0.00 C ATOM 941 C LEU A 58 9.853 14.072 21.655 1.00 0.00 C ATOM 942 O LEU A 58 10.042 13.443 22.697 1.00 0.00 O ATOM 943 CB LEU A 58 8.030 12.970 20.180 1.00 0.00 C ATOM 944 CG LEU A 58 8.708 12.778 18.766 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.182 12.304 18.828 1.00 0.00 C ATOM 946 CD2 LEU A 58 7.878 11.827 17.877 1.00 0.00 C ATOM 0 H LEU A 58 8.445 15.401 19.299 1.00 0.00 H new ATOM 0 HA LEU A 58 7.745 14.244 21.898 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.228 12.072 20.765 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.952 13.019 20.025 1.00 0.00 H new ATOM 0 HG LEU A 58 8.727 13.772 18.320 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.573 12.197 17.816 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.778 13.038 19.371 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.234 11.343 19.341 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.368 11.713 16.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.799 10.853 18.361 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.881 12.242 17.732 1.00 0.00 H new ATOM 958 N HIS A 59 10.828 14.699 20.981 1.00 0.00 N ATOM 959 CA HIS A 59 12.245 14.641 21.354 1.00 0.00 C ATOM 960 C HIS A 59 12.510 15.584 22.528 1.00 0.00 C ATOM 961 O HIS A 59 13.138 15.193 23.517 1.00 0.00 O ATOM 962 CB HIS A 59 13.120 15.022 20.131 1.00 0.00 C ATOM 963 CG HIS A 59 14.606 14.982 20.375 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.362 13.846 20.192 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.474 15.947 20.771 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.620 14.112 20.471 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.717 15.379 20.819 1.00 0.00 N ATOM 0 H HIS A 59 10.651 15.267 20.152 1.00 0.00 H new ATOM 0 HA HIS A 59 12.502 13.628 21.663 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.883 14.346 19.309 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.847 16.026 19.806 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.229 16.973 21.005 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.438 13.408 20.423 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.578 15.858 21.081 1.00 0.00 H new ATOM 976 N MET A 60 12.006 16.827 22.420 1.00 0.00 N ATOM 977 CA MET A 60 12.314 17.887 23.390 1.00 0.00 C ATOM 978 C MET A 60 11.128 18.862 23.499 1.00 0.00 C ATOM 979 O MET A 60 11.053 19.853 22.765 1.00 0.00 O ATOM 980 CB MET A 60 13.628 18.609 22.965 1.00 0.00 C ATOM 981 CG MET A 60 14.275 19.470 24.058 1.00 0.00 C ATOM 982 SD MET A 60 15.797 20.278 23.504 1.00 0.00 S ATOM 983 CE MET A 60 16.802 18.888 22.971 1.00 0.00 C ATOM 0 H MET A 60 11.382 17.120 21.668 1.00 0.00 H new ATOM 0 HA MET A 60 12.471 17.456 24.379 1.00 0.00 H new ATOM 0 HB2 MET A 60 14.349 17.859 22.640 1.00 0.00 H new ATOM 0 HB3 MET A 60 13.415 19.241 22.103 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.564 20.229 24.385 1.00 0.00 H new ATOM 0 HG3 MET A 60 14.495 18.845 24.924 1.00 0.00 H new ATOM 0 HE1 MET A 60 17.849 19.190 22.931 1.00 0.00 H new ATOM 0 HE2 MET A 60 16.689 18.065 23.677 1.00 0.00 H new ATOM 0 HE3 MET A 60 16.480 18.564 21.981 1.00 0.00 H new ATOM 993 N SER A 61 10.186 18.536 24.396 1.00 0.00 N ATOM 994 CA SER A 61 8.969 19.321 24.619 1.00 0.00 C ATOM 995 C SER A 61 9.315 20.624 25.366 1.00 0.00 C ATOM 996 O SER A 61 9.511 20.617 26.589 1.00 0.00 O ATOM 997 CB SER A 61 7.946 18.482 25.419 1.00 0.00 C ATOM 998 OG SER A 61 7.688 17.233 24.800 1.00 0.00 O ATOM 0 H SER A 61 10.251 17.711 24.992 1.00 0.00 H new ATOM 0 HA SER A 61 8.525 19.584 23.659 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.323 18.316 26.428 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.014 19.040 25.514 1.00 0.00 H new ATOM 0 HG SER A 61 7.983 17.264 23.866 1.00 0.00 H new ATOM 1004 N LYS A 62 9.459 21.725 24.609 1.00 0.00 N ATOM 1005 CA LYS A 62 9.750 23.056 25.164 1.00 0.00 C ATOM 1006 C LYS A 62 8.692 24.059 24.693 1.00 0.00 C ATOM 1007 O LYS A 62 8.286 24.042 23.527 1.00 0.00 O ATOM 1008 CB LYS A 62 11.175 23.523 24.753 1.00 0.00 C ATOM 1009 CG LYS A 62 12.312 22.695 25.391 1.00 0.00 C ATOM 1010 CD LYS A 62 13.710 23.314 25.183 1.00 0.00 C ATOM 1011 CE LYS A 62 14.781 22.634 26.057 1.00 0.00 C ATOM 1012 NZ LYS A 62 14.467 22.741 27.505 1.00 0.00 N ATOM 0 H LYS A 62 9.376 21.716 23.592 1.00 0.00 H new ATOM 0 HA LYS A 62 9.718 22.998 26.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.265 23.471 23.668 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.299 24.569 25.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.123 22.594 26.460 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.301 21.690 24.969 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.991 23.228 24.133 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.673 24.378 25.417 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.861 21.583 25.780 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.752 23.090 25.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.330 22.572 28.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.102 23.693 27.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.749 22.033 27.758 1.00 0.00 H new ATOM 1026 N ASP A 63 8.249 24.930 25.615 1.00 0.00 N ATOM 1027 CA ASP A 63 7.231 25.947 25.329 1.00 0.00 C ATOM 1028 C ASP A 63 7.906 27.183 24.723 1.00 0.00 C ATOM 1029 O ASP A 63 8.631 27.900 25.431 1.00 0.00 O ATOM 1030 CB ASP A 63 6.450 26.328 26.619 1.00 0.00 C ATOM 1031 CG ASP A 63 5.249 27.255 26.334 1.00 0.00 C ATOM 1032 OD1 ASP A 63 4.195 26.743 25.895 1.00 0.00 O ATOM 1033 OD2 ASP A 63 5.347 28.486 26.535 1.00 0.00 O ATOM 0 H ASP A 63 8.588 24.947 26.577 1.00 0.00 H new ATOM 0 HA ASP A 63 6.514 25.541 24.615 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.096 25.420 27.106 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.127 26.821 27.317 1.00 0.00 H new ATOM 1038 N LYS A 64 7.690 27.380 23.406 1.00 0.00 N ATOM 1039 CA LYS A 64 8.142 28.563 22.653 1.00 0.00 C ATOM 1040 C LYS A 64 9.694 28.659 22.658 1.00 0.00 C ATOM 1041 O LYS A 64 10.266 29.460 23.431 1.00 0.00 O ATOM 1042 CB LYS A 64 7.448 29.851 23.205 1.00 0.00 C ATOM 1043 CG LYS A 64 5.900 29.808 23.184 1.00 0.00 C ATOM 1044 CD LYS A 64 5.221 31.000 23.922 1.00 0.00 C ATOM 1045 CE LYS A 64 5.372 32.371 23.216 1.00 0.00 C ATOM 1046 NZ LYS A 64 6.764 32.897 23.239 1.00 0.00 N ATOM 1047 OXT LYS A 64 10.338 27.907 21.896 1.00 0.00 O ATOM 0 H LYS A 64 7.187 26.707 22.827 1.00 0.00 H new ATOM 0 HA LYS A 64 7.844 28.464 21.609 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.780 30.016 24.230 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.783 30.708 22.620 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.562 29.796 22.148 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.567 28.875 23.639 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.159 30.781 24.037 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.641 31.075 24.925 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.044 32.276 22.181 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.711 33.093 23.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.747 33.916 23.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.309 32.404 23.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.210 32.738 22.313 1.00 0.00 H new TER 1061 LYS A 64