USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=17 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= 0.201 K(o=0.39,f=-1.4) USER MOD Set 1.2: A 48 CYS SG : rot 180:sc= 0.187 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0435 (180deg=0) USER MOD Single : A 3 SER OG : rot -45:sc= 0.262 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= 0.721 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.175 K(o=0.18,f=-5!) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc=-0.00206 (180deg=-0.0469) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 8:sc= 0.404 USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0159 (180deg=-0.187) 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 -24:sc= 0.419 USER MOD Single : A 38 THR OG1 : rot -98:sc= 0.189 USER MOD Single : A 43 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=-0.062) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 59 HIS : no HD1:sc= 0.0614 K(o=0.061,f=-0.5) USER MOD Single : A 60 MET CE :methyl -163:sc= -0.06 (180deg=-0.386) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= 1.19 (180deg=0.877) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0507) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.856 1.089 -0.923 1.00 0.00 N ATOM 2 CA GLY A 1 -0.197 -0.221 -0.731 1.00 0.00 C ATOM 3 C GLY A 1 1.321 -0.102 -0.782 1.00 0.00 C ATOM 4 O GLY A 1 1.877 0.970 -0.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.535 1.253 -0.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.139 1.842 -0.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.359 1.095 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.497 -0.642 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.534 -0.914 -1.502 1.00 0.00 H new ATOM 10 N ALA A 2 1.990 -1.200 -1.171 1.00 0.00 N ATOM 11 CA ALA A 2 3.457 -1.258 -1.278 1.00 0.00 C ATOM 12 C ALA A 2 3.915 -0.594 -2.588 1.00 0.00 C ATOM 13 O ALA A 2 4.021 -1.251 -3.626 1.00 0.00 O ATOM 14 CB ALA A 2 3.946 -2.719 -1.179 1.00 0.00 C ATOM 0 H ALA A 2 1.528 -2.074 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 2 3.900 -0.707 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.033 -2.745 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.643 -3.140 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.508 -3.305 -1.987 1.00 0.00 H new ATOM 20 N SER A 3 4.117 0.734 -2.526 1.00 0.00 N ATOM 21 CA SER A 3 4.622 1.540 -3.660 1.00 0.00 C ATOM 22 C SER A 3 5.516 2.689 -3.129 1.00 0.00 C ATOM 23 O SER A 3 5.735 3.708 -3.800 1.00 0.00 O ATOM 24 CB SER A 3 3.427 2.066 -4.499 1.00 0.00 C ATOM 25 OG SER A 3 3.853 2.658 -5.714 1.00 0.00 O ATOM 0 H SER A 3 3.935 1.284 -1.686 1.00 0.00 H new ATOM 0 HA SER A 3 5.237 0.923 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.746 1.243 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.868 2.797 -3.915 1.00 0.00 H new ATOM 0 HG SER A 3 4.622 3.241 -5.542 1.00 0.00 H new ATOM 31 N GLY A 4 6.065 2.477 -1.920 1.00 0.00 N ATOM 32 CA GLY A 4 6.930 3.446 -1.248 1.00 0.00 C ATOM 33 C GLY A 4 8.174 2.785 -0.679 1.00 0.00 C ATOM 34 O GLY A 4 8.104 1.672 -0.153 1.00 0.00 O ATOM 0 H GLY A 4 5.916 1.622 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.221 4.225 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.377 3.933 -0.445 1.00 0.00 H new ATOM 38 N ASP A 5 9.315 3.480 -0.790 1.00 0.00 N ATOM 39 CA ASP A 5 10.611 3.024 -0.246 1.00 0.00 C ATOM 40 C ASP A 5 10.605 3.080 1.288 1.00 0.00 C ATOM 41 O ASP A 5 11.199 2.233 1.963 1.00 0.00 O ATOM 42 CB ASP A 5 11.764 3.883 -0.824 1.00 0.00 C ATOM 43 CG ASP A 5 13.162 3.491 -0.296 1.00 0.00 C ATOM 44 OD1 ASP A 5 13.626 2.359 -0.587 1.00 0.00 O ATOM 45 OD2 ASP A 5 13.800 4.301 0.413 1.00 0.00 O ATOM 0 H ASP A 5 9.369 4.382 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 5 10.769 1.987 -0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.759 3.796 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.578 4.930 -0.587 1.00 0.00 H new ATOM 50 N LEU A 6 9.895 4.083 1.811 1.00 0.00 N ATOM 51 CA LEU A 6 9.709 4.293 3.253 1.00 0.00 C ATOM 52 C LEU A 6 8.617 3.359 3.810 1.00 0.00 C ATOM 53 O LEU A 6 8.519 3.156 5.030 1.00 0.00 O ATOM 54 CB LEU A 6 9.341 5.782 3.467 1.00 0.00 C ATOM 55 CG LEU A 6 10.348 6.800 2.839 1.00 0.00 C ATOM 56 CD1 LEU A 6 9.801 8.245 2.890 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.740 6.693 3.505 1.00 0.00 C ATOM 0 H LEU A 6 9.425 4.784 1.238 1.00 0.00 H new ATOM 0 HA LEU A 6 10.626 4.055 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.352 5.962 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.271 5.975 4.538 1.00 0.00 H new ATOM 0 HG LEU A 6 10.467 6.539 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.527 8.925 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.865 8.300 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.624 8.531 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.419 7.413 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.651 6.905 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.133 5.686 3.367 1.00 0.00 H new ATOM 69 N TYR A 7 7.816 2.801 2.874 1.00 0.00 N ATOM 70 CA TYR A 7 6.688 1.894 3.150 1.00 0.00 C ATOM 71 C TYR A 7 5.605 2.599 3.990 1.00 0.00 C ATOM 72 O TYR A 7 4.617 3.103 3.449 1.00 0.00 O ATOM 73 CB TYR A 7 7.153 0.555 3.807 1.00 0.00 C ATOM 74 CG TYR A 7 8.173 -0.231 2.972 1.00 0.00 C ATOM 75 CD1 TYR A 7 7.774 -0.911 1.819 1.00 0.00 C ATOM 76 CD2 TYR A 7 9.528 -0.277 3.320 1.00 0.00 C ATOM 77 CE1 TYR A 7 8.679 -1.619 1.054 1.00 0.00 C ATOM 78 CE2 TYR A 7 10.437 -0.987 2.556 1.00 0.00 C ATOM 79 CZ TYR A 7 10.008 -1.649 1.418 1.00 0.00 C ATOM 80 OH TYR A 7 10.913 -2.351 0.645 1.00 0.00 O ATOM 0 H TYR A 7 7.944 2.977 1.877 1.00 0.00 H new ATOM 0 HA TYR A 7 6.244 1.628 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.589 0.773 4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.280 -0.074 3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.737 -0.882 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.869 0.250 4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.347 -2.148 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.477 -1.025 2.846 1.00 0.00 H new ATOM 0 HH TYR A 7 11.808 -2.272 1.036 1.00 0.00 H new ATOM 90 N GLU A 8 5.831 2.641 5.307 1.00 0.00 N ATOM 91 CA GLU A 8 4.987 3.342 6.274 1.00 0.00 C ATOM 92 C GLU A 8 5.878 3.730 7.449 1.00 0.00 C ATOM 93 O GLU A 8 6.191 2.877 8.283 1.00 0.00 O ATOM 94 CB GLU A 8 3.800 2.449 6.752 1.00 0.00 C ATOM 95 CG GLU A 8 2.996 3.051 7.923 1.00 0.00 C ATOM 96 CD GLU A 8 1.823 2.175 8.386 1.00 0.00 C ATOM 97 OE1 GLU A 8 0.814 2.084 7.656 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.894 1.588 9.488 1.00 0.00 O ATOM 0 H GLU A 8 6.629 2.175 5.739 1.00 0.00 H new ATOM 0 HA GLU A 8 4.543 4.225 5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.127 2.277 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.189 1.476 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.668 3.217 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.613 4.027 7.624 1.00 0.00 H new ATOM 105 N VAL A 9 6.346 4.988 7.480 1.00 0.00 N ATOM 106 CA VAL A 9 7.143 5.484 8.606 1.00 0.00 C ATOM 107 C VAL A 9 6.263 5.564 9.868 1.00 0.00 C ATOM 108 O VAL A 9 5.128 6.063 9.814 1.00 0.00 O ATOM 109 CB VAL A 9 7.832 6.868 8.297 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.812 6.734 7.103 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.796 7.984 8.043 1.00 0.00 C ATOM 0 H VAL A 9 6.186 5.674 6.742 1.00 0.00 H new ATOM 0 HA VAL A 9 7.954 4.777 8.779 1.00 0.00 H new ATOM 0 HB VAL A 9 8.401 7.157 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.278 7.699 6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.583 6.002 7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.265 6.406 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.314 8.920 7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.174 7.715 7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.168 8.106 8.926 1.00 0.00 H new ATOM 121 N GLU A 10 6.764 5.003 10.984 1.00 0.00 N ATOM 122 CA GLU A 10 6.085 5.076 12.273 1.00 0.00 C ATOM 123 C GLU A 10 6.180 6.513 12.778 1.00 0.00 C ATOM 124 O GLU A 10 5.153 7.113 13.113 1.00 0.00 O ATOM 125 CB GLU A 10 6.715 4.082 13.278 1.00 0.00 C ATOM 126 CG GLU A 10 6.004 4.020 14.643 1.00 0.00 C ATOM 127 CD GLU A 10 6.616 2.978 15.589 1.00 0.00 C ATOM 128 OE1 GLU A 10 6.509 1.769 15.295 1.00 0.00 O ATOM 129 OE2 GLU A 10 7.198 3.352 16.622 1.00 0.00 O ATOM 0 H GLU A 10 7.646 4.491 11.009 1.00 0.00 H new ATOM 0 HA GLU A 10 5.037 4.797 12.165 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.712 3.086 12.835 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.758 4.357 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.048 5.002 15.115 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.950 3.788 14.488 1.00 0.00 H new ATOM 136 N ARG A 11 7.428 7.054 12.773 1.00 0.00 N ATOM 137 CA ARG A 11 7.717 8.470 13.111 1.00 0.00 C ATOM 138 C ARG A 11 9.234 8.711 13.155 1.00 0.00 C ATOM 139 O ARG A 11 10.032 7.780 12.943 1.00 0.00 O ATOM 140 CB ARG A 11 7.076 8.900 14.473 1.00 0.00 C ATOM 141 CG ARG A 11 7.747 8.332 15.741 1.00 0.00 C ATOM 142 CD ARG A 11 6.850 8.455 16.987 1.00 0.00 C ATOM 143 NE ARG A 11 6.212 9.785 17.106 1.00 0.00 N ATOM 144 CZ ARG A 11 5.643 10.285 18.207 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.735 9.663 19.375 1.00 0.00 N ATOM 146 NH2 ARG A 11 5.003 11.437 18.129 1.00 0.00 N ATOM 0 H ARG A 11 8.262 6.517 12.534 1.00 0.00 H new ATOM 0 HA ARG A 11 7.269 9.081 12.327 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.092 9.988 14.533 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.029 8.596 14.472 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.996 7.283 15.578 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.685 8.858 15.919 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.076 7.688 16.949 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.446 8.262 17.879 1.00 0.00 H new ATOM 0 HE ARG A 11 6.206 10.373 16.273 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.248 8.784 19.446 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.293 10.063 20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.949 11.931 17.238 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.563 11.833 18.960 1.00 0.00 H new ATOM 160 N ILE A 12 9.622 9.968 13.428 1.00 0.00 N ATOM 161 CA ILE A 12 11.018 10.326 13.667 1.00 0.00 C ATOM 162 C ILE A 12 11.383 10.023 15.130 1.00 0.00 C ATOM 163 O ILE A 12 10.632 10.343 16.060 1.00 0.00 O ATOM 164 CB ILE A 12 11.326 11.836 13.373 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.717 12.284 12.008 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.858 12.098 13.411 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.137 13.672 11.568 1.00 0.00 C ATOM 0 H ILE A 12 8.976 10.755 13.488 1.00 0.00 H new ATOM 0 HA ILE A 12 11.617 9.729 12.979 1.00 0.00 H new ATOM 0 HB ILE A 12 10.856 12.433 14.154 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.008 11.568 11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.630 12.251 12.079 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.052 13.151 13.205 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.246 11.844 14.397 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.351 11.484 12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.671 13.907 10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.821 14.401 12.314 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.221 13.708 11.462 1.00 0.00 H new ATOM 179 N VAL A 13 12.533 9.392 15.287 1.00 0.00 N ATOM 180 CA VAL A 13 13.132 9.025 16.567 1.00 0.00 C ATOM 181 C VAL A 13 14.065 10.153 17.031 1.00 0.00 C ATOM 182 O VAL A 13 13.957 10.665 18.152 1.00 0.00 O ATOM 183 CB VAL A 13 13.974 7.707 16.392 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.473 7.138 17.733 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.192 6.659 15.582 1.00 0.00 C ATOM 0 H VAL A 13 13.104 9.106 14.492 1.00 0.00 H new ATOM 0 HA VAL A 13 12.345 8.865 17.304 1.00 0.00 H new ATOM 0 HB VAL A 13 14.867 7.972 15.826 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.047 6.230 17.552 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.106 7.875 18.228 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.619 6.906 18.370 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.795 5.758 15.475 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.265 6.416 16.101 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.961 7.060 14.595 1.00 0.00 H new ATOM 195 N ASP A 14 14.957 10.550 16.117 1.00 0.00 N ATOM 196 CA ASP A 14 16.090 11.430 16.422 1.00 0.00 C ATOM 197 C ASP A 14 16.624 12.030 15.102 1.00 0.00 C ATOM 198 O ASP A 14 16.090 11.740 14.035 1.00 0.00 O ATOM 199 CB ASP A 14 17.177 10.615 17.183 1.00 0.00 C ATOM 200 CG ASP A 14 18.348 11.461 17.707 1.00 0.00 C ATOM 201 OD1 ASP A 14 18.160 12.198 18.694 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.442 11.411 17.116 1.00 0.00 O ATOM 0 H ASP A 14 14.913 10.268 15.138 1.00 0.00 H new ATOM 0 HA ASP A 14 15.786 12.255 17.066 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.709 10.103 18.024 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.569 9.845 16.519 1.00 0.00 H new ATOM 207 N LYS A 15 17.635 12.897 15.191 1.00 0.00 N ATOM 208 CA LYS A 15 18.400 13.376 14.027 1.00 0.00 C ATOM 209 C LYS A 15 19.835 13.656 14.464 1.00 0.00 C ATOM 210 O LYS A 15 20.088 13.934 15.645 1.00 0.00 O ATOM 211 CB LYS A 15 17.739 14.638 13.377 1.00 0.00 C ATOM 212 CG LYS A 15 17.763 15.938 14.222 1.00 0.00 C ATOM 213 CD LYS A 15 19.045 16.791 14.060 1.00 0.00 C ATOM 214 CE LYS A 15 19.170 17.852 15.167 1.00 0.00 C ATOM 215 NZ LYS A 15 20.350 18.731 14.991 1.00 0.00 N ATOM 0 H LYS A 15 17.952 13.292 16.077 1.00 0.00 H new ATOM 0 HA LYS A 15 18.401 12.604 13.258 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.240 14.837 12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.701 14.400 13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.901 16.547 13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.649 15.674 15.273 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.919 16.140 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.035 17.281 13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.267 18.463 15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.235 17.355 16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.384 19.426 15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.216 18.156 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.279 19.229 14.081 1.00 0.00 H new ATOM 229 N ARG A 16 20.755 13.625 13.500 1.00 0.00 N ATOM 230 CA ARG A 16 22.163 13.975 13.719 1.00 0.00 C ATOM 231 C ARG A 16 22.805 14.343 12.373 1.00 0.00 C ATOM 232 O ARG A 16 22.225 14.100 11.299 1.00 0.00 O ATOM 233 CB ARG A 16 22.897 12.803 14.450 1.00 0.00 C ATOM 234 CG ARG A 16 23.009 11.461 13.661 1.00 0.00 C ATOM 235 CD ARG A 16 24.331 11.319 12.883 1.00 0.00 C ATOM 236 NE ARG A 16 24.349 10.123 12.019 1.00 0.00 N ATOM 237 CZ ARG A 16 25.329 9.205 11.950 1.00 0.00 C ATOM 238 NH1 ARG A 16 26.420 9.303 12.709 1.00 0.00 N ATOM 239 NH2 ARG A 16 25.210 8.197 11.101 1.00 0.00 N ATOM 0 H ARG A 16 20.546 13.355 12.539 1.00 0.00 H new ATOM 0 HA ARG A 16 22.247 14.846 14.369 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.903 13.135 14.705 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.379 12.606 15.388 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.915 10.629 14.359 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.175 11.388 12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.487 12.208 12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.161 11.267 13.588 1.00 0.00 H new ATOM 0 HE ARG A 16 23.539 9.979 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 16 26.522 10.084 13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 16 27.153 8.597 12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.382 8.124 10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.946 7.493 11.038 1.00 0.00 H new ATOM 253 N LYS A 17 23.989 14.957 12.435 1.00 0.00 N ATOM 254 CA LYS A 17 24.752 15.339 11.239 1.00 0.00 C ATOM 255 C LYS A 17 25.688 14.183 10.854 1.00 0.00 C ATOM 256 O LYS A 17 26.354 13.602 11.720 1.00 0.00 O ATOM 257 CB LYS A 17 25.562 16.669 11.475 1.00 0.00 C ATOM 258 CG LYS A 17 25.472 17.732 10.334 1.00 0.00 C ATOM 259 CD LYS A 17 24.185 18.606 10.367 1.00 0.00 C ATOM 260 CE LYS A 17 22.910 17.875 9.905 1.00 0.00 C ATOM 261 NZ LYS A 17 21.698 18.708 10.049 1.00 0.00 N ATOM 0 H LYS A 17 24.447 15.204 13.312 1.00 0.00 H new ATOM 0 HA LYS A 17 24.059 15.532 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.211 17.126 12.400 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.611 16.412 11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.342 18.386 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.524 17.220 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.033 18.970 11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.338 19.481 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.022 17.579 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.789 16.960 10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.975 18.180 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.935 19.580 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.330 18.951 9.107 1.00 0.00 H new ATOM 275 N ASN A 18 25.701 13.845 9.561 1.00 0.00 N ATOM 276 CA ASN A 18 26.623 12.845 8.984 1.00 0.00 C ATOM 277 C ASN A 18 28.085 13.360 9.054 1.00 0.00 C ATOM 278 O ASN A 18 28.318 14.547 9.315 1.00 0.00 O ATOM 279 CB ASN A 18 26.187 12.552 7.519 1.00 0.00 C ATOM 280 CG ASN A 18 26.996 11.461 6.807 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.971 11.748 6.111 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.611 10.206 6.998 1.00 0.00 N ATOM 0 H ASN A 18 25.069 14.257 8.875 1.00 0.00 H new ATOM 0 HA ASN A 18 26.580 11.918 9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.136 12.262 7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.263 13.474 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.128 9.442 6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.798 10.005 7.581 1.00 0.00 H new ATOM 289 N LYS A 19 29.062 12.466 8.816 1.00 0.00 N ATOM 290 CA LYS A 19 30.504 12.817 8.762 1.00 0.00 C ATOM 291 C LYS A 19 30.797 13.889 7.682 1.00 0.00 C ATOM 292 O LYS A 19 31.753 14.660 7.788 1.00 0.00 O ATOM 293 CB LYS A 19 31.335 11.513 8.549 1.00 0.00 C ATOM 294 CG LYS A 19 30.955 10.646 7.313 1.00 0.00 C ATOM 295 CD LYS A 19 31.608 11.110 5.990 1.00 0.00 C ATOM 296 CE LYS A 19 31.166 10.275 4.780 1.00 0.00 C ATOM 297 NZ LYS A 19 31.492 8.829 4.931 1.00 0.00 N ATOM 0 H LYS A 19 28.879 11.476 8.655 1.00 0.00 H new ATOM 0 HA LYS A 19 30.800 13.268 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.386 11.788 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 19 31.238 10.896 9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 19 31.244 9.613 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.872 10.657 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.357 12.156 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 19 32.692 11.054 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.091 10.388 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 19 31.648 10.660 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.234 8.322 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 32.511 8.719 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.958 8.435 5.732 1.00 0.00 H new ATOM 311 N LYS A 20 29.936 13.922 6.655 1.00 0.00 N ATOM 312 CA LYS A 20 30.034 14.865 5.523 1.00 0.00 C ATOM 313 C LYS A 20 29.091 16.078 5.739 1.00 0.00 C ATOM 314 O LYS A 20 28.835 16.867 4.819 1.00 0.00 O ATOM 315 CB LYS A 20 29.713 14.083 4.215 1.00 0.00 C ATOM 316 CG LYS A 20 30.115 14.788 2.900 1.00 0.00 C ATOM 317 CD LYS A 20 29.970 13.879 1.654 1.00 0.00 C ATOM 318 CE LYS A 20 28.531 13.395 1.414 1.00 0.00 C ATOM 319 NZ LYS A 20 28.402 12.624 0.147 1.00 0.00 N ATOM 0 H LYS A 20 29.140 13.288 6.583 1.00 0.00 H new ATOM 0 HA LYS A 20 31.041 15.276 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 20 30.217 13.117 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.642 13.883 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 20 29.498 15.677 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 20 31.148 15.126 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 30.313 14.424 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 20 30.622 13.013 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 20 28.215 12.772 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.861 14.254 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 27.416 12.318 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 28.679 13.225 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.022 11.790 0.184 1.00 0.00 H new ATOM 333 N GLY A 21 28.611 16.225 6.990 1.00 0.00 N ATOM 334 CA GLY A 21 27.724 17.320 7.384 1.00 0.00 C ATOM 335 C GLY A 21 26.346 17.263 6.732 1.00 0.00 C ATOM 336 O GLY A 21 25.701 18.298 6.540 1.00 0.00 O ATOM 0 H GLY A 21 28.832 15.583 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.604 17.305 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.197 18.268 7.129 1.00 0.00 H new ATOM 340 N LYS A 22 25.894 16.043 6.393 1.00 0.00 N ATOM 341 CA LYS A 22 24.587 15.834 5.748 1.00 0.00 C ATOM 342 C LYS A 22 23.471 15.733 6.789 1.00 0.00 C ATOM 343 O LYS A 22 23.681 15.243 7.904 1.00 0.00 O ATOM 344 CB LYS A 22 24.615 14.573 4.846 1.00 0.00 C ATOM 345 CG LYS A 22 25.531 14.714 3.614 1.00 0.00 C ATOM 346 CD LYS A 22 25.080 15.858 2.673 1.00 0.00 C ATOM 347 CE LYS A 22 26.023 16.054 1.478 1.00 0.00 C ATOM 348 NZ LYS A 22 25.622 17.197 0.629 1.00 0.00 N ATOM 0 H LYS A 22 26.418 15.183 6.556 1.00 0.00 H new ATOM 0 HA LYS A 22 24.380 16.699 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.946 13.720 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.601 14.354 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.553 14.900 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.540 13.774 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.076 15.646 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.022 16.787 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.038 16.213 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.038 15.145 0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.288 17.290 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.663 17.036 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 25.633 18.070 1.194 1.00 0.00 H new ATOM 362 N TRP A 23 22.295 16.223 6.401 1.00 0.00 N ATOM 363 CA TRP A 23 21.092 16.213 7.227 1.00 0.00 C ATOM 364 C TRP A 23 20.558 14.775 7.309 1.00 0.00 C ATOM 365 O TRP A 23 20.102 14.229 6.299 1.00 0.00 O ATOM 366 CB TRP A 23 20.031 17.158 6.596 1.00 0.00 C ATOM 367 CG TRP A 23 20.490 18.587 6.370 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.271 19.659 7.186 1.00 0.00 C ATOM 369 CD2 TRP A 23 21.233 19.094 5.245 1.00 0.00 C ATOM 370 NE1 TRP A 23 20.820 20.789 6.646 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.414 20.471 5.458 1.00 0.00 C ATOM 372 CE3 TRP A 23 21.753 18.520 4.074 1.00 0.00 C ATOM 373 CZ2 TRP A 23 22.101 21.280 4.560 1.00 0.00 C ATOM 374 CZ3 TRP A 23 22.436 19.325 3.185 1.00 0.00 C ATOM 375 CH2 TRP A 23 22.599 20.692 3.429 1.00 0.00 C ATOM 0 H TRP A 23 22.150 16.647 5.484 1.00 0.00 H new ATOM 0 HA TRP A 23 21.317 16.565 8.234 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.717 16.739 5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.152 17.173 7.241 1.00 0.00 H new ATOM 0 HD1 TRP A 23 19.739 19.620 8.125 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.791 21.719 7.063 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.621 17.467 3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 22.237 22.335 4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 22.851 18.892 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 23 23.130 21.297 2.709 1.00 0.00 H new ATOM 386 N GLU A 24 20.644 14.159 8.501 1.00 0.00 N ATOM 387 CA GLU A 24 20.139 12.798 8.732 1.00 0.00 C ATOM 388 C GLU A 24 19.144 12.800 9.881 1.00 0.00 C ATOM 389 O GLU A 24 19.306 13.546 10.846 1.00 0.00 O ATOM 390 CB GLU A 24 21.287 11.822 9.055 1.00 0.00 C ATOM 391 CG GLU A 24 22.315 11.642 7.919 1.00 0.00 C ATOM 392 CD GLU A 24 23.253 10.435 8.114 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.590 10.101 9.264 1.00 0.00 O ATOM 394 OE2 GLU A 24 23.671 9.821 7.110 1.00 0.00 O ATOM 0 H GLU A 24 21.063 14.589 9.325 1.00 0.00 H new ATOM 0 HA GLU A 24 19.648 12.466 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.807 12.175 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.861 10.849 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.783 11.528 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.916 12.548 7.839 1.00 0.00 H new ATOM 401 N TYR A 25 18.122 11.966 9.757 1.00 0.00 N ATOM 402 CA TYR A 25 17.104 11.749 10.778 1.00 0.00 C ATOM 403 C TYR A 25 16.989 10.244 11.028 1.00 0.00 C ATOM 404 O TYR A 25 16.853 9.460 10.085 1.00 0.00 O ATOM 405 CB TYR A 25 15.736 12.310 10.330 1.00 0.00 C ATOM 406 CG TYR A 25 15.646 13.844 10.221 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.255 14.533 9.172 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.909 14.598 11.149 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.143 15.900 9.053 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.800 15.972 11.030 1.00 0.00 C ATOM 411 CZ TYR A 25 15.418 16.615 9.978 1.00 0.00 C ATOM 412 OH TYR A 25 15.304 17.981 9.844 1.00 0.00 O ATOM 0 H TYR A 25 17.973 11.404 8.919 1.00 0.00 H new ATOM 0 HA TYR A 25 17.394 12.270 11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.488 11.880 9.360 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.976 11.969 11.033 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.826 13.983 8.438 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.419 14.096 11.970 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.625 16.411 8.233 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.235 16.537 11.756 1.00 0.00 H new ATOM 0 HH TYR A 25 15.685 18.258 8.985 1.00 0.00 H new ATOM 422 N LEU A 26 17.064 9.855 12.298 1.00 0.00 N ATOM 423 CA LEU A 26 16.804 8.489 12.738 1.00 0.00 C ATOM 424 C LEU A 26 15.289 8.246 12.622 1.00 0.00 C ATOM 425 O LEU A 26 14.522 8.870 13.349 1.00 0.00 O ATOM 426 CB LEU A 26 17.291 8.322 14.209 1.00 0.00 C ATOM 427 CG LEU A 26 17.637 6.883 14.663 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.802 6.314 13.840 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.944 6.831 16.178 1.00 0.00 C ATOM 0 H LEU A 26 17.310 10.488 13.059 1.00 0.00 H new ATOM 0 HA LEU A 26 17.338 7.763 12.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.174 8.945 14.349 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.518 8.712 14.871 1.00 0.00 H new ATOM 0 HG LEU A 26 16.763 6.257 14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.026 5.302 14.178 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.526 6.292 12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.682 6.944 13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.183 5.807 16.466 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.793 7.478 16.400 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.073 7.171 16.738 1.00 0.00 H new ATOM 441 N ILE A 27 14.872 7.429 11.643 1.00 0.00 N ATOM 442 CA ILE A 27 13.447 7.134 11.372 1.00 0.00 C ATOM 443 C ILE A 27 13.182 5.644 11.559 1.00 0.00 C ATOM 444 O ILE A 27 13.937 4.810 11.066 1.00 0.00 O ATOM 445 CB ILE A 27 13.005 7.497 9.891 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.498 8.906 9.462 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.463 7.372 9.704 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.896 10.038 10.249 1.00 0.00 C ATOM 0 H ILE A 27 15.513 6.949 11.011 1.00 0.00 H new ATOM 0 HA ILE A 27 12.878 7.746 12.071 1.00 0.00 H new ATOM 0 HB ILE A 27 13.485 6.768 9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.583 8.945 9.563 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.271 9.052 8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.199 7.628 8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.153 6.348 9.914 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.957 8.052 10.390 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.294 10.986 9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.813 10.029 10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.145 9.921 11.304 1.00 0.00 H new ATOM 460 N ARG A 28 12.086 5.324 12.236 1.00 0.00 N ATOM 461 CA ARG A 28 11.587 3.949 12.356 1.00 0.00 C ATOM 462 C ARG A 28 10.312 3.803 11.531 1.00 0.00 C ATOM 463 O ARG A 28 9.507 4.745 11.461 1.00 0.00 O ATOM 464 CB ARG A 28 11.342 3.593 13.830 1.00 0.00 C ATOM 465 CG ARG A 28 10.471 4.596 14.610 1.00 0.00 C ATOM 466 CD ARG A 28 10.323 4.201 16.083 1.00 0.00 C ATOM 467 NE ARG A 28 11.625 3.809 16.689 1.00 0.00 N ATOM 468 CZ ARG A 28 12.068 4.135 17.913 1.00 0.00 C ATOM 469 NH1 ARG A 28 11.358 4.917 18.720 1.00 0.00 N ATOM 470 NH2 ARG A 28 13.242 3.665 18.323 1.00 0.00 N ATOM 0 H ARG A 28 11.511 6.012 12.722 1.00 0.00 H new ATOM 0 HA ARG A 28 12.334 3.254 11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.869 2.612 13.877 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.306 3.506 14.331 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.914 5.590 14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.485 4.655 14.149 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.900 5.036 16.641 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.620 3.372 16.167 1.00 0.00 H new ATOM 0 HE ARG A 28 12.243 3.234 16.116 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.457 5.282 18.413 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.715 5.152 19.646 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.793 3.065 17.710 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.591 3.905 19.251 1.00 0.00 H new ATOM 484 N TRP A 29 10.154 2.634 10.890 1.00 0.00 N ATOM 485 CA TRP A 29 9.002 2.319 10.040 1.00 0.00 C ATOM 486 C TRP A 29 8.480 0.888 10.286 1.00 0.00 C ATOM 487 O TRP A 29 9.212 0.005 10.786 1.00 0.00 O ATOM 488 CB TRP A 29 9.316 2.572 8.530 1.00 0.00 C ATOM 489 CG TRP A 29 10.568 1.934 7.968 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.960 0.635 8.081 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.555 2.573 7.152 1.00 0.00 C ATOM 492 NE1 TRP A 29 12.144 0.440 7.429 1.00 0.00 N ATOM 493 CE2 TRP A 29 12.528 1.607 6.842 1.00 0.00 C ATOM 494 CE3 TRP A 29 11.715 3.876 6.666 1.00 0.00 C ATOM 495 CZ2 TRP A 29 13.642 1.895 6.061 1.00 0.00 C ATOM 496 CZ3 TRP A 29 12.819 4.160 5.889 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.771 3.176 5.594 1.00 0.00 C ATOM 0 H TRP A 29 10.832 1.874 10.950 1.00 0.00 H new ATOM 0 HA TRP A 29 8.199 3.001 10.321 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.466 2.221 7.945 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.387 3.649 8.375 1.00 0.00 H new ATOM 0 HD1 TRP A 29 10.413 -0.131 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 29 12.659 -0.440 7.388 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.990 4.643 6.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.377 1.138 5.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.952 5.159 5.501 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.625 3.433 4.985 1.00 0.00 H new ATOM 508 N LYS A 30 7.193 0.691 9.924 1.00 0.00 N ATOM 509 CA LYS A 30 6.492 -0.601 10.009 1.00 0.00 C ATOM 510 C LYS A 30 7.296 -1.732 9.315 1.00 0.00 C ATOM 511 O LYS A 30 8.000 -1.497 8.325 1.00 0.00 O ATOM 512 CB LYS A 30 5.085 -0.480 9.365 1.00 0.00 C ATOM 513 CG LYS A 30 4.172 -1.707 9.588 1.00 0.00 C ATOM 514 CD LYS A 30 2.834 -1.619 8.826 1.00 0.00 C ATOM 515 CE LYS A 30 1.886 -2.779 9.168 1.00 0.00 C ATOM 516 NZ LYS A 30 1.481 -2.762 10.602 1.00 0.00 N ATOM 0 H LYS A 30 6.606 1.441 9.559 1.00 0.00 H new ATOM 0 HA LYS A 30 6.391 -0.860 11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.590 0.404 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.202 -0.320 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.702 -2.607 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.969 -1.811 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.346 -0.673 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.029 -1.618 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.998 -2.719 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.375 -3.726 8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.683 -3.413 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.283 -3.062 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.195 -1.799 10.870 1.00 0.00 H new ATOM 530 N GLY A 31 7.174 -2.952 9.854 1.00 0.00 N ATOM 531 CA GLY A 31 8.014 -4.084 9.476 1.00 0.00 C ATOM 532 C GLY A 31 8.998 -4.422 10.588 1.00 0.00 C ATOM 533 O GLY A 31 9.274 -5.597 10.850 1.00 0.00 O ATOM 0 H GLY A 31 6.483 -3.178 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.389 -4.951 9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.558 -3.849 8.561 1.00 0.00 H new ATOM 537 N TYR A 32 9.518 -3.375 11.263 1.00 0.00 N ATOM 538 CA TYR A 32 10.354 -3.531 12.479 1.00 0.00 C ATOM 539 C TYR A 32 9.788 -2.697 13.631 1.00 0.00 C ATOM 540 O TYR A 32 9.929 -3.068 14.806 1.00 0.00 O ATOM 541 CB TYR A 32 11.824 -3.133 12.194 1.00 0.00 C ATOM 542 CG TYR A 32 12.642 -4.213 11.467 1.00 0.00 C ATOM 543 CD1 TYR A 32 12.525 -4.407 10.090 1.00 0.00 C ATOM 544 CD2 TYR A 32 13.534 -5.035 12.164 1.00 0.00 C ATOM 545 CE1 TYR A 32 13.259 -5.378 9.438 1.00 0.00 C ATOM 546 CE2 TYR A 32 14.269 -6.004 11.513 1.00 0.00 C ATOM 547 CZ TYR A 32 14.130 -6.168 10.150 1.00 0.00 C ATOM 548 OH TYR A 32 14.868 -7.132 9.496 1.00 0.00 O ATOM 0 H TYR A 32 9.374 -2.404 10.986 1.00 0.00 H new ATOM 0 HA TYR A 32 10.336 -4.581 12.770 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.832 -2.223 11.595 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.314 -2.897 13.139 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.847 -3.786 9.523 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.649 -4.909 13.230 1.00 0.00 H new ATOM 0 HE1 TYR A 32 13.149 -5.516 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.950 -6.632 12.068 1.00 0.00 H new ATOM 0 HH TYR A 32 15.436 -7.603 10.141 1.00 0.00 H new ATOM 558 N GLY A 33 9.152 -1.571 13.281 1.00 0.00 N ATOM 559 CA GLY A 33 8.653 -0.623 14.269 1.00 0.00 C ATOM 560 C GLY A 33 9.795 0.061 15.012 1.00 0.00 C ATOM 561 O GLY A 33 10.693 0.600 14.360 1.00 0.00 O ATOM 0 H GLY A 33 8.973 -1.299 12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.037 0.128 13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.013 -1.142 14.982 1.00 0.00 H new ATOM 565 N SER A 34 9.791 -0.025 16.362 1.00 0.00 N ATOM 566 CA SER A 34 10.789 0.643 17.225 1.00 0.00 C ATOM 567 C SER A 34 12.238 0.266 16.829 1.00 0.00 C ATOM 568 O SER A 34 13.051 1.143 16.503 1.00 0.00 O ATOM 569 CB SER A 34 10.539 0.282 18.706 1.00 0.00 C ATOM 570 OG SER A 34 9.234 0.641 19.117 1.00 0.00 O ATOM 0 H SER A 34 9.095 -0.560 16.882 1.00 0.00 H new ATOM 0 HA SER A 34 10.675 1.718 17.087 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.685 -0.789 18.850 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.271 0.790 19.333 1.00 0.00 H new ATOM 0 HG SER A 34 9.109 0.397 20.058 1.00 0.00 H new ATOM 576 N THR A 35 12.497 -1.054 16.758 1.00 0.00 N ATOM 577 CA THR A 35 13.850 -1.627 16.586 1.00 0.00 C ATOM 578 C THR A 35 14.463 -1.335 15.193 1.00 0.00 C ATOM 579 O THR A 35 15.620 -1.692 14.944 1.00 0.00 O ATOM 580 CB THR A 35 13.825 -3.173 16.864 1.00 0.00 C ATOM 581 OG1 THR A 35 15.159 -3.708 16.889 1.00 0.00 O ATOM 582 CG2 THR A 35 12.987 -3.943 15.824 1.00 0.00 C ATOM 0 H THR A 35 11.765 -1.762 16.819 1.00 0.00 H new ATOM 0 HA THR A 35 14.494 -1.135 17.315 1.00 0.00 H new ATOM 0 HB THR A 35 13.357 -3.305 17.840 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.754 -3.127 16.370 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.002 -5.007 16.061 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.959 -3.581 15.845 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.407 -3.787 14.830 1.00 0.00 H new ATOM 590 N GLU A 36 13.692 -0.687 14.294 1.00 0.00 N ATOM 591 CA GLU A 36 14.214 -0.254 12.995 1.00 0.00 C ATOM 592 C GLU A 36 15.248 0.874 13.192 1.00 0.00 C ATOM 593 O GLU A 36 16.436 0.669 12.913 1.00 0.00 O ATOM 594 CB GLU A 36 13.072 0.234 12.066 1.00 0.00 C ATOM 595 CG GLU A 36 13.533 0.670 10.657 1.00 0.00 C ATOM 596 CD GLU A 36 14.264 -0.441 9.861 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.581 -1.345 9.321 1.00 0.00 O ATOM 598 OE2 GLU A 36 15.518 -0.416 9.767 1.00 0.00 O ATOM 0 H GLU A 36 12.711 -0.456 14.450 1.00 0.00 H new ATOM 0 HA GLU A 36 14.696 -1.110 12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.338 -0.565 11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.565 1.072 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.664 0.999 10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.196 1.530 10.753 1.00 0.00 H new ATOM 605 N ASP A 37 14.758 1.994 13.803 1.00 0.00 N ATOM 606 CA ASP A 37 15.401 3.349 13.831 1.00 0.00 C ATOM 607 C ASP A 37 16.721 3.461 13.007 1.00 0.00 C ATOM 608 O ASP A 37 17.819 3.192 13.499 1.00 0.00 O ATOM 609 CB ASP A 37 15.545 3.868 15.293 1.00 0.00 C ATOM 610 CG ASP A 37 16.339 2.945 16.227 1.00 0.00 C ATOM 611 OD1 ASP A 37 15.746 2.003 16.778 1.00 0.00 O ATOM 612 OD2 ASP A 37 17.552 3.167 16.429 1.00 0.00 O ATOM 0 H ASP A 37 13.872 1.980 14.309 1.00 0.00 H new ATOM 0 HA ASP A 37 14.718 4.017 13.306 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.030 4.844 15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 37 14.549 4.016 15.711 1.00 0.00 H new ATOM 617 N THR A 38 16.567 3.826 11.723 1.00 0.00 N ATOM 618 CA THR A 38 17.655 3.867 10.723 1.00 0.00 C ATOM 619 C THR A 38 17.904 5.312 10.221 1.00 0.00 C ATOM 620 O THR A 38 16.979 6.122 10.148 1.00 0.00 O ATOM 621 CB THR A 38 17.323 2.908 9.522 1.00 0.00 C ATOM 622 OG1 THR A 38 18.348 2.994 8.511 1.00 0.00 O ATOM 623 CG2 THR A 38 15.952 3.214 8.892 1.00 0.00 C ATOM 0 H THR A 38 15.664 4.107 11.340 1.00 0.00 H new ATOM 0 HA THR A 38 18.572 3.524 11.202 1.00 0.00 H new ATOM 0 HB THR A 38 17.287 1.896 9.926 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.053 3.596 7.796 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.769 2.525 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.172 3.096 9.644 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.944 4.238 8.518 1.00 0.00 H new ATOM 631 N TRP A 39 19.166 5.617 9.863 1.00 0.00 N ATOM 632 CA TRP A 39 19.599 6.983 9.491 1.00 0.00 C ATOM 633 C TRP A 39 19.201 7.314 8.035 1.00 0.00 C ATOM 634 O TRP A 39 19.924 6.965 7.085 1.00 0.00 O ATOM 635 CB TRP A 39 21.132 7.124 9.676 1.00 0.00 C ATOM 636 CG TRP A 39 21.615 6.974 11.103 1.00 0.00 C ATOM 637 CD1 TRP A 39 21.873 7.981 11.988 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.883 5.748 11.806 1.00 0.00 C ATOM 639 NE1 TRP A 39 22.311 7.461 13.178 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.315 6.095 13.096 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.798 4.389 11.468 1.00 0.00 C ATOM 642 CZ2 TRP A 39 22.667 5.141 14.048 1.00 0.00 C ATOM 643 CZ3 TRP A 39 22.145 3.441 12.413 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.573 3.822 13.691 1.00 0.00 C ATOM 0 H TRP A 39 19.915 4.926 9.823 1.00 0.00 H new ATOM 0 HA TRP A 39 19.095 7.692 10.148 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.629 6.376 9.058 1.00 0.00 H new ATOM 0 HB3 TRP A 39 21.441 8.101 9.303 1.00 0.00 H new ATOM 0 HD1 TRP A 39 21.750 9.034 11.781 1.00 0.00 H new ATOM 0 HE1 TRP A 39 22.590 8.005 13.994 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.467 4.088 10.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.002 5.431 15.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.085 2.392 12.162 1.00 0.00 H new ATOM 0 HH2 TRP A 39 22.834 3.060 14.410 1.00 0.00 H new ATOM 655 N GLU A 40 18.029 7.939 7.863 1.00 0.00 N ATOM 656 CA GLU A 40 17.532 8.368 6.545 1.00 0.00 C ATOM 657 C GLU A 40 17.857 9.856 6.309 1.00 0.00 C ATOM 658 O GLU A 40 17.644 10.671 7.207 1.00 0.00 O ATOM 659 CB GLU A 40 16.001 8.119 6.448 1.00 0.00 C ATOM 660 CG GLU A 40 15.580 6.652 6.687 1.00 0.00 C ATOM 661 CD GLU A 40 16.350 5.656 5.803 1.00 0.00 C ATOM 662 OE1 GLU A 40 16.079 5.586 4.577 1.00 0.00 O ATOM 663 OE2 GLU A 40 17.254 4.949 6.315 1.00 0.00 O ATOM 0 H GLU A 40 17.397 8.162 8.632 1.00 0.00 H new ATOM 0 HA GLU A 40 18.029 7.783 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.495 8.753 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.656 8.428 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.741 6.399 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.512 6.550 6.495 1.00 0.00 H new ATOM 670 N PRO A 41 18.374 10.245 5.095 1.00 0.00 N ATOM 671 CA PRO A 41 18.677 11.657 4.779 1.00 0.00 C ATOM 672 C PRO A 41 17.387 12.490 4.696 1.00 0.00 C ATOM 673 O PRO A 41 16.309 11.942 4.464 1.00 0.00 O ATOM 674 CB PRO A 41 19.420 11.589 3.420 1.00 0.00 C ATOM 675 CG PRO A 41 18.978 10.299 2.801 1.00 0.00 C ATOM 676 CD PRO A 41 18.689 9.353 3.952 1.00 0.00 C ATOM 0 HA PRO A 41 19.280 12.145 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.164 12.439 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.501 11.610 3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 41 18.090 10.447 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.753 9.894 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.853 8.692 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.548 8.718 4.169 1.00 0.00 H new ATOM 684 N GLU A 42 17.514 13.804 4.885 1.00 0.00 N ATOM 685 CA GLU A 42 16.367 14.726 4.949 1.00 0.00 C ATOM 686 C GLU A 42 15.557 14.727 3.633 1.00 0.00 C ATOM 687 O GLU A 42 14.329 14.673 3.656 1.00 0.00 O ATOM 688 CB GLU A 42 16.885 16.136 5.295 1.00 0.00 C ATOM 689 CG GLU A 42 15.812 17.207 5.558 1.00 0.00 C ATOM 690 CD GLU A 42 16.425 18.554 5.979 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.821 19.343 5.090 1.00 0.00 O ATOM 692 OE2 GLU A 42 16.529 18.824 7.202 1.00 0.00 O ATOM 0 H GLU A 42 18.416 14.266 4.999 1.00 0.00 H new ATOM 0 HA GLU A 42 15.682 14.390 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.519 16.061 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.518 16.479 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.214 17.348 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.136 16.858 6.339 1.00 0.00 H new ATOM 699 N HIS A 43 16.248 14.705 2.479 1.00 0.00 N ATOM 700 CA HIS A 43 15.569 14.697 1.163 1.00 0.00 C ATOM 701 C HIS A 43 14.897 13.324 0.865 1.00 0.00 C ATOM 702 O HIS A 43 14.235 13.161 -0.169 1.00 0.00 O ATOM 703 CB HIS A 43 16.559 15.097 0.035 1.00 0.00 C ATOM 704 CG HIS A 43 15.886 15.417 -1.280 1.00 0.00 C ATOM 705 ND1 HIS A 43 15.915 14.572 -2.368 1.00 0.00 N ATOM 706 CD2 HIS A 43 15.123 16.475 -1.652 1.00 0.00 C ATOM 707 CE1 HIS A 43 15.205 15.093 -3.350 1.00 0.00 C ATOM 708 NE2 HIS A 43 14.712 16.245 -2.942 1.00 0.00 N ATOM 0 H HIS A 43 17.267 14.693 2.427 1.00 0.00 H new ATOM 0 HA HIS A 43 14.772 15.439 1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.134 15.965 0.359 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.268 14.284 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.884 17.337 -1.047 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.053 14.650 -4.323 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.121 16.866 -3.495 1.00 0.00 H new ATOM 717 N HIS A 44 15.063 12.340 1.777 1.00 0.00 N ATOM 718 CA HIS A 44 14.450 11.000 1.645 1.00 0.00 C ATOM 719 C HIS A 44 13.602 10.612 2.864 1.00 0.00 C ATOM 720 O HIS A 44 12.901 9.603 2.782 1.00 0.00 O ATOM 721 CB HIS A 44 15.532 9.912 1.412 1.00 0.00 C ATOM 722 CG HIS A 44 16.129 9.919 0.033 1.00 0.00 C ATOM 723 ND1 HIS A 44 15.856 8.947 -0.902 1.00 0.00 N ATOM 724 CD2 HIS A 44 16.972 10.788 -0.571 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.501 9.213 -2.016 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.188 10.327 -1.847 1.00 0.00 N ATOM 0 H HIS A 44 15.623 12.452 2.622 1.00 0.00 H new ATOM 0 HA HIS A 44 13.790 11.057 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.330 10.048 2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.092 8.933 1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.396 11.679 -0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.473 8.620 -2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 44 17.781 10.772 -2.548 1.00 0.00 H new ATOM 735 N LEU A 45 13.656 11.380 3.992 1.00 0.00 N ATOM 736 CA LEU A 45 13.012 10.919 5.259 1.00 0.00 C ATOM 737 C LEU A 45 11.474 10.910 5.107 1.00 0.00 C ATOM 738 O LEU A 45 10.804 9.936 5.460 1.00 0.00 O ATOM 739 CB LEU A 45 13.455 11.757 6.523 1.00 0.00 C ATOM 740 CG LEU A 45 12.546 12.972 6.973 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.725 13.319 8.447 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.762 14.231 6.122 1.00 0.00 C ATOM 0 H LEU A 45 14.120 12.286 4.051 1.00 0.00 H new ATOM 0 HA LEU A 45 13.359 9.901 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.534 11.071 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.456 12.144 6.332 1.00 0.00 H new ATOM 0 HG LEU A 45 11.524 12.628 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.079 14.159 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.460 12.457 9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.764 13.590 8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.111 15.028 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.802 14.549 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.528 14.011 5.081 1.00 0.00 H new ATOM 754 N LEU A 46 10.962 12.009 4.542 1.00 0.00 N ATOM 755 CA LEU A 46 9.532 12.299 4.370 1.00 0.00 C ATOM 756 C LEU A 46 9.369 13.246 3.168 1.00 0.00 C ATOM 757 O LEU A 46 10.336 13.871 2.714 1.00 0.00 O ATOM 758 CB LEU A 46 8.901 12.967 5.655 1.00 0.00 C ATOM 759 CG LEU A 46 8.204 12.041 6.707 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.292 11.006 6.033 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.188 11.389 7.711 1.00 0.00 C ATOM 0 H LEU A 46 11.557 12.753 4.176 1.00 0.00 H new ATOM 0 HA LEU A 46 9.008 11.358 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.692 13.515 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.168 13.702 5.322 1.00 0.00 H new ATOM 0 HG LEU A 46 7.572 12.695 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.826 10.381 6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.519 11.520 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.883 10.381 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.633 10.762 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.910 10.778 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.714 12.168 8.263 1.00 0.00 H new ATOM 773 N HIS A 47 8.133 13.340 2.675 1.00 0.00 N ATOM 774 CA HIS A 47 7.742 14.316 1.640 1.00 0.00 C ATOM 775 C HIS A 47 7.332 15.661 2.281 1.00 0.00 C ATOM 776 O HIS A 47 7.404 16.714 1.638 1.00 0.00 O ATOM 777 CB HIS A 47 6.574 13.736 0.796 1.00 0.00 C ATOM 778 CG HIS A 47 6.104 14.645 -0.317 1.00 0.00 C ATOM 779 ND1 HIS A 47 4.937 15.382 -0.251 1.00 0.00 N ATOM 780 CD2 HIS A 47 6.662 14.954 -1.513 1.00 0.00 C ATOM 781 CE1 HIS A 47 4.806 16.100 -1.351 1.00 0.00 C ATOM 782 NE2 HIS A 47 5.839 15.861 -2.133 1.00 0.00 N ATOM 0 H HIS A 47 7.366 12.741 2.980 1.00 0.00 H new ATOM 0 HA HIS A 47 8.596 14.503 0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.889 12.785 0.365 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.733 13.524 1.457 1.00 0.00 H new ATOM 0 HD1 HIS A 47 4.278 15.373 0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.587 14.558 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.989 16.771 -1.573 1.00 0.00 H new ATOM 791 N CYS A 48 6.917 15.618 3.561 1.00 0.00 N ATOM 792 CA CYS A 48 6.336 16.777 4.265 1.00 0.00 C ATOM 793 C CYS A 48 7.039 17.011 5.619 1.00 0.00 C ATOM 794 O CYS A 48 7.399 16.055 6.318 1.00 0.00 O ATOM 795 CB CYS A 48 4.828 16.537 4.471 1.00 0.00 C ATOM 796 SG CYS A 48 3.928 16.172 2.944 1.00 0.00 S ATOM 0 H CYS A 48 6.975 14.778 4.137 1.00 0.00 H new ATOM 0 HA CYS A 48 6.483 17.672 3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.694 15.709 5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.390 17.420 4.937 1.00 0.00 H new ATOM 0 HG CYS A 48 2.671 15.983 3.216 1.00 0.00 H new ATOM 802 N GLU A 49 7.212 18.299 5.970 1.00 0.00 N ATOM 803 CA GLU A 49 7.896 18.747 7.206 1.00 0.00 C ATOM 804 C GLU A 49 7.058 18.481 8.496 1.00 0.00 C ATOM 805 O GLU A 49 7.560 18.664 9.604 1.00 0.00 O ATOM 806 CB GLU A 49 8.262 20.255 7.091 1.00 0.00 C ATOM 807 CG GLU A 49 9.259 20.772 8.161 1.00 0.00 C ATOM 808 CD GLU A 49 9.523 22.284 8.089 1.00 0.00 C ATOM 809 OE1 GLU A 49 8.778 23.060 8.730 1.00 0.00 O ATOM 810 OE2 GLU A 49 10.480 22.705 7.395 1.00 0.00 O ATOM 0 H GLU A 49 6.877 19.073 5.396 1.00 0.00 H new ATOM 0 HA GLU A 49 8.806 18.155 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.686 20.436 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.346 20.842 7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.873 20.527 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.205 20.242 8.048 1.00 0.00 H new ATOM 817 N GLU A 50 5.777 18.084 8.331 1.00 0.00 N ATOM 818 CA GLU A 50 4.817 17.860 9.459 1.00 0.00 C ATOM 819 C GLU A 50 5.426 16.949 10.547 1.00 0.00 C ATOM 820 O GLU A 50 5.363 17.240 11.746 1.00 0.00 O ATOM 821 CB GLU A 50 3.477 17.226 8.945 1.00 0.00 C ATOM 822 CG GLU A 50 2.996 17.707 7.557 1.00 0.00 C ATOM 823 CD GLU A 50 2.990 19.238 7.382 1.00 0.00 C ATOM 824 OE1 GLU A 50 2.079 19.905 7.914 1.00 0.00 O ATOM 825 OE2 GLU A 50 3.893 19.781 6.706 1.00 0.00 O ATOM 0 H GLU A 50 5.369 17.907 7.413 1.00 0.00 H new ATOM 0 HA GLU A 50 4.607 18.837 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.598 16.143 8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.694 17.437 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.636 17.268 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.988 17.330 7.384 1.00 0.00 H new ATOM 832 N PHE A 51 6.046 15.862 10.082 1.00 0.00 N ATOM 833 CA PHE A 51 6.706 14.868 10.943 1.00 0.00 C ATOM 834 C PHE A 51 7.921 15.492 11.665 1.00 0.00 C ATOM 835 O PHE A 51 8.160 15.224 12.842 1.00 0.00 O ATOM 836 CB PHE A 51 7.138 13.634 10.108 1.00 0.00 C ATOM 837 CG PHE A 51 5.985 12.850 9.468 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.235 13.398 8.423 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.663 11.563 9.899 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.204 12.688 7.838 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.633 10.853 9.311 1.00 0.00 C ATOM 842 CZ PHE A 51 3.903 11.416 8.283 1.00 0.00 C ATOM 0 H PHE A 51 6.107 15.642 9.088 1.00 0.00 H new ATOM 0 HA PHE A 51 5.994 14.540 11.701 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.814 13.966 9.320 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.704 12.959 10.750 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.465 14.392 8.068 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.227 11.115 10.704 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.634 13.128 7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.399 9.857 9.656 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.096 10.861 7.827 1.00 0.00 H new ATOM 852 N ILE A 52 8.658 16.370 10.961 1.00 0.00 N ATOM 853 CA ILE A 52 9.816 17.088 11.533 1.00 0.00 C ATOM 854 C ILE A 52 9.331 18.009 12.677 1.00 0.00 C ATOM 855 O ILE A 52 9.989 18.134 13.718 1.00 0.00 O ATOM 856 CB ILE A 52 10.608 17.900 10.427 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.295 16.940 9.388 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.658 18.853 11.056 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.365 16.183 8.445 1.00 0.00 C ATOM 0 H ILE A 52 8.471 16.602 9.986 1.00 0.00 H new ATOM 0 HA ILE A 52 10.517 16.358 11.938 1.00 0.00 H new ATOM 0 HB ILE A 52 9.874 18.508 9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.987 17.528 8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.891 16.211 9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.180 19.392 10.265 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.156 19.566 11.711 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.376 18.272 11.634 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.956 15.555 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.688 15.557 9.026 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.786 16.895 7.856 1.00 0.00 H new ATOM 871 N ASP A 53 8.115 18.558 12.511 1.00 0.00 N ATOM 872 CA ASP A 53 7.487 19.418 13.525 1.00 0.00 C ATOM 873 C ASP A 53 7.197 18.603 14.802 1.00 0.00 C ATOM 874 O ASP A 53 7.586 19.019 15.913 1.00 0.00 O ATOM 875 CB ASP A 53 6.191 20.065 12.973 1.00 0.00 C ATOM 876 CG ASP A 53 5.451 20.941 14.003 1.00 0.00 C ATOM 877 OD1 ASP A 53 6.039 21.933 14.478 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.270 20.679 14.303 1.00 0.00 O ATOM 0 H ASP A 53 7.545 18.419 11.677 1.00 0.00 H new ATOM 0 HA ASP A 53 8.178 20.223 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.440 20.673 12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.520 19.278 12.629 1.00 0.00 H new ATOM 883 N GLU A 54 6.624 17.374 14.626 1.00 0.00 N ATOM 884 CA GLU A 54 6.268 16.515 15.775 1.00 0.00 C ATOM 885 C GLU A 54 7.563 16.036 16.435 1.00 0.00 C ATOM 886 O GLU A 54 7.600 15.833 17.649 1.00 0.00 O ATOM 887 CB GLU A 54 5.354 15.301 15.403 1.00 0.00 C ATOM 888 CG GLU A 54 6.053 14.121 14.707 1.00 0.00 C ATOM 889 CD GLU A 54 5.134 12.928 14.414 1.00 0.00 C ATOM 890 OE1 GLU A 54 4.374 12.978 13.418 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.157 11.932 15.179 1.00 0.00 O ATOM 0 H GLU A 54 6.406 16.971 13.714 1.00 0.00 H new ATOM 0 HA GLU A 54 5.674 17.115 16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.884 14.933 16.315 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.555 15.659 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.485 14.471 13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.880 13.783 15.332 1.00 0.00 H new ATOM 898 N PHE A 55 8.642 15.939 15.618 1.00 0.00 N ATOM 899 CA PHE A 55 9.963 15.534 16.094 1.00 0.00 C ATOM 900 C PHE A 55 10.466 16.535 17.140 1.00 0.00 C ATOM 901 O PHE A 55 10.908 16.140 18.216 1.00 0.00 O ATOM 902 CB PHE A 55 10.971 15.399 14.924 1.00 0.00 C ATOM 903 CG PHE A 55 12.425 15.339 15.379 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.886 14.271 16.137 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.312 16.383 15.100 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.175 14.244 16.598 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.609 16.343 15.562 1.00 0.00 C ATOM 908 CZ PHE A 55 15.038 15.275 16.313 1.00 0.00 C ATOM 0 H PHE A 55 8.608 16.141 14.619 1.00 0.00 H new ATOM 0 HA PHE A 55 9.876 14.551 16.558 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.739 14.498 14.357 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.845 16.244 14.247 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.220 13.452 16.366 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.977 17.228 14.517 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.516 13.407 17.189 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.289 17.151 15.334 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.054 15.246 16.679 1.00 0.00 H new ATOM 918 N ASN A 56 10.333 17.831 16.828 1.00 0.00 N ATOM 919 CA ASN A 56 10.803 18.913 17.711 1.00 0.00 C ATOM 920 C ASN A 56 9.958 18.964 18.998 1.00 0.00 C ATOM 921 O ASN A 56 10.425 19.443 20.036 1.00 0.00 O ATOM 922 CB ASN A 56 10.789 20.265 16.953 1.00 0.00 C ATOM 923 CG ASN A 56 11.749 20.279 15.757 1.00 0.00 C ATOM 924 OD1 ASN A 56 12.795 19.626 15.772 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.401 21.016 14.714 1.00 0.00 N ATOM 0 H ASN A 56 9.901 18.160 15.965 1.00 0.00 H new ATOM 0 HA ASN A 56 11.832 18.712 18.008 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.777 20.472 16.605 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.059 21.066 17.641 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.005 21.055 13.893 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.529 21.545 14.732 1.00 0.00 H new ATOM 932 N GLY A 57 8.727 18.415 18.918 1.00 0.00 N ATOM 933 CA GLY A 57 7.858 18.273 20.085 1.00 0.00 C ATOM 934 C GLY A 57 8.179 17.046 20.950 1.00 0.00 C ATOM 935 O GLY A 57 8.011 17.096 22.173 1.00 0.00 O ATOM 0 H GLY A 57 8.320 18.065 18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.940 19.170 20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.823 18.209 19.750 1.00 0.00 H new ATOM 939 N LEU A 58 8.624 15.929 20.325 1.00 0.00 N ATOM 940 CA LEU A 58 8.834 14.640 21.046 1.00 0.00 C ATOM 941 C LEU A 58 10.273 14.518 21.585 1.00 0.00 C ATOM 942 O LEU A 58 10.512 13.868 22.612 1.00 0.00 O ATOM 943 CB LEU A 58 8.441 13.418 20.137 1.00 0.00 C ATOM 944 CG LEU A 58 9.228 13.204 18.782 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.573 12.457 18.955 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.351 12.504 17.715 1.00 0.00 C ATOM 0 H LEU A 58 8.845 15.890 19.330 1.00 0.00 H new ATOM 0 HA LEU A 58 8.173 14.630 21.913 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.553 12.512 20.732 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.382 13.511 19.895 1.00 0.00 H new ATOM 0 HG LEU A 58 9.473 14.207 18.431 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.056 12.347 17.984 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.222 13.026 19.621 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.389 11.471 19.382 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.927 12.375 16.799 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.036 11.529 18.086 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.472 13.115 17.508 1.00 0.00 H new ATOM 958 N HIS A 59 11.217 15.159 20.879 1.00 0.00 N ATOM 959 CA HIS A 59 12.664 15.064 21.158 1.00 0.00 C ATOM 960 C HIS A 59 13.043 16.025 22.287 1.00 0.00 C ATOM 961 O HIS A 59 13.859 15.696 23.150 1.00 0.00 O ATOM 962 CB HIS A 59 13.464 15.400 19.878 1.00 0.00 C ATOM 963 CG HIS A 59 14.949 15.199 19.999 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.859 16.234 20.008 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.678 14.061 20.099 1.00 0.00 C ATOM 966 CE1 HIS A 59 17.078 15.741 20.102 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.994 14.430 20.164 1.00 0.00 N ATOM 0 H HIS A 59 10.998 15.766 20.089 1.00 0.00 H new ATOM 0 HA HIS A 59 12.904 14.047 21.470 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.092 14.783 19.060 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.272 16.438 19.607 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.293 13.052 20.123 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.992 16.317 20.124 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.784 13.790 20.247 1.00 0.00 H new ATOM 976 N MET A 60 12.459 17.228 22.235 1.00 0.00 N ATOM 977 CA MET A 60 12.574 18.230 23.295 1.00 0.00 C ATOM 978 C MET A 60 11.349 18.103 24.209 1.00 0.00 C ATOM 979 O MET A 60 10.213 18.202 23.736 1.00 0.00 O ATOM 980 CB MET A 60 12.667 19.657 22.681 1.00 0.00 C ATOM 981 CG MET A 60 12.763 20.802 23.703 1.00 0.00 C ATOM 982 SD MET A 60 12.925 22.430 22.925 1.00 0.00 S ATOM 983 CE MET A 60 14.508 22.301 22.074 1.00 0.00 C ATOM 0 H MET A 60 11.888 17.534 21.447 1.00 0.00 H new ATOM 0 HA MET A 60 13.482 18.064 23.876 1.00 0.00 H new ATOM 0 HB2 MET A 60 13.539 19.699 22.029 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.791 19.823 22.053 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.875 20.794 24.335 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.619 20.630 24.355 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.866 23.298 21.818 1.00 0.00 H new ATOM 0 HE2 MET A 60 15.232 21.812 22.725 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.385 21.715 21.163 1.00 0.00 H new ATOM 993 N SER A 61 11.583 17.841 25.505 1.00 0.00 N ATOM 994 CA SER A 61 10.525 17.756 26.537 1.00 0.00 C ATOM 995 C SER A 61 10.121 19.177 27.006 1.00 0.00 C ATOM 996 O SER A 61 10.174 19.509 28.202 1.00 0.00 O ATOM 997 CB SER A 61 11.022 16.877 27.714 1.00 0.00 C ATOM 998 OG SER A 61 11.341 15.567 27.276 1.00 0.00 O ATOM 0 H SER A 61 12.520 17.680 25.874 1.00 0.00 H new ATOM 0 HA SER A 61 9.634 17.288 26.118 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.900 17.335 28.168 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.253 16.828 28.485 1.00 0.00 H new ATOM 0 HG SER A 61 11.653 15.035 28.037 1.00 0.00 H new ATOM 1004 N LYS A 62 9.710 19.988 26.022 1.00 0.00 N ATOM 1005 CA LYS A 62 9.308 21.384 26.198 1.00 0.00 C ATOM 1006 C LYS A 62 8.610 21.823 24.900 1.00 0.00 C ATOM 1007 O LYS A 62 9.267 22.077 23.887 1.00 0.00 O ATOM 1008 CB LYS A 62 10.538 22.289 26.564 1.00 0.00 C ATOM 1009 CG LYS A 62 10.218 23.771 26.927 1.00 0.00 C ATOM 1010 CD LYS A 62 10.181 24.733 25.712 1.00 0.00 C ATOM 1011 CE LYS A 62 9.769 26.168 26.098 1.00 0.00 C ATOM 1012 NZ LYS A 62 8.379 26.229 26.633 1.00 0.00 N ATOM 0 H LYS A 62 9.647 19.678 25.052 1.00 0.00 H new ATOM 0 HA LYS A 62 8.617 21.489 27.034 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.059 21.835 27.407 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.230 22.284 25.722 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.254 23.808 27.434 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.965 24.128 27.636 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.165 24.756 25.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.483 24.347 24.970 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.462 26.555 26.846 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.849 26.815 25.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.041 27.212 26.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.756 25.634 26.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.369 25.884 27.614 1.00 0.00 H new ATOM 1026 N ASP A 63 7.270 21.813 24.924 1.00 0.00 N ATOM 1027 CA ASP A 63 6.436 22.398 23.859 1.00 0.00 C ATOM 1028 C ASP A 63 6.503 23.933 23.949 1.00 0.00 C ATOM 1029 O ASP A 63 6.987 24.475 24.954 1.00 0.00 O ATOM 1030 CB ASP A 63 4.965 21.908 24.008 1.00 0.00 C ATOM 1031 CG ASP A 63 4.310 22.381 25.323 1.00 0.00 C ATOM 1032 OD1 ASP A 63 4.698 21.875 26.400 1.00 0.00 O ATOM 1033 OD2 ASP A 63 3.427 23.261 25.293 1.00 0.00 O ATOM 0 H ASP A 63 6.730 21.398 25.684 1.00 0.00 H new ATOM 0 HA ASP A 63 6.808 22.080 22.885 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.378 22.270 23.164 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.943 20.819 23.967 1.00 0.00 H new ATOM 1038 N LYS A 64 5.996 24.630 22.924 1.00 0.00 N ATOM 1039 CA LYS A 64 6.022 26.102 22.876 1.00 0.00 C ATOM 1040 C LYS A 64 5.156 26.664 24.042 1.00 0.00 C ATOM 1041 O LYS A 64 5.725 27.220 25.008 1.00 0.00 O ATOM 1042 CB LYS A 64 5.544 26.608 21.473 1.00 0.00 C ATOM 1043 CG LYS A 64 6.015 28.034 21.062 1.00 0.00 C ATOM 1044 CD LYS A 64 5.424 29.172 21.925 1.00 0.00 C ATOM 1045 CE LYS A 64 5.929 30.560 21.515 1.00 0.00 C ATOM 1046 NZ LYS A 64 5.547 30.909 20.122 1.00 0.00 N ATOM 1047 OXT LYS A 64 3.917 26.491 24.009 1.00 0.00 O ATOM 0 H LYS A 64 5.559 24.197 22.110 1.00 0.00 H new ATOM 0 HA LYS A 64 7.040 26.467 23.009 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.889 25.902 20.718 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.454 26.588 21.454 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.103 28.076 21.121 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.746 28.207 20.020 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.337 29.150 21.850 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.675 28.995 22.971 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.526 31.308 22.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.014 30.593 21.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.820 31.893 19.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.034 30.273 19.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.518 30.806 20.008 1.00 0.00 H new TER 1061 LYS A 64