USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 Single : A 1 GLY N :NH3+ 146:sc= 0.0169 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00925 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.0246 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 18 TYR OH : rot -178:sc= 0.602 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0319 (180deg=-0.232) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.58 (180deg=1.1) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= -0.613 (180deg=-0.622) USER MOD Single : A 33 TYR OH : rot 35:sc= 2.09 USER MOD Single : A 36 THR OG1 : rot -31:sc= 0.53 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -106:sc= 0.111 (180deg=-0.102) USER MOD Single : A 49 SER OG : rot -72:sc= 0.338 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= -0.0028 (180deg=-0.0797) USER MOD Single : A 58 MET CE :methyl -116:sc= -2.68! (180deg=-4.52!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 64 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.503 F(o=-1.6!,f=0.5) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0717 F(o=-1.1,f=-0.072) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= -0.0096 (180deg=-0.116) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0134 F(o=-1,f=-0.013) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.962 -24.327 12.800 1.00 0.00 N ATOM 2 CA GLY A 1 -9.940 -24.274 11.719 1.00 0.00 C ATOM 3 C GLY A 1 -9.280 -23.893 10.420 1.00 0.00 C ATOM 4 O GLY A 1 -8.400 -23.012 10.396 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.408 -24.019 13.687 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.615 -25.302 12.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.164 -23.698 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.426 -25.244 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.719 -23.551 11.962 1.00 0.00 H new ATOM 10 N HIS A 2 -9.652 -24.556 9.342 1.00 0.00 N ATOM 11 CA HIS A 2 -9.085 -24.249 8.031 1.00 0.00 C ATOM 12 C HIS A 2 -10.174 -24.045 6.986 1.00 0.00 C ATOM 13 O HIS A 2 -9.883 -23.842 5.801 1.00 0.00 O ATOM 14 CB HIS A 2 -8.113 -25.353 7.553 1.00 0.00 C ATOM 15 CG HIS A 2 -6.859 -25.510 8.374 1.00 0.00 C ATOM 16 ND1 HIS A 2 -5.750 -24.698 8.253 1.00 0.00 N ATOM 17 CD2 HIS A 2 -6.549 -26.419 9.329 1.00 0.00 C ATOM 18 CE1 HIS A 2 -4.824 -25.127 9.108 1.00 0.00 C ATOM 19 NE2 HIS A 2 -5.256 -26.175 9.791 1.00 0.00 N ATOM 0 H HIS A 2 -10.341 -25.308 9.341 1.00 0.00 H new ATOM 0 HA HIS A 2 -8.527 -23.320 8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -8.645 -26.304 7.548 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -7.828 -25.141 6.522 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.200 -27.207 9.677 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.849 -24.679 9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -4.749 -26.696 10.506 1.00 0.00 H new ATOM 27 N MET A 3 -11.416 -24.056 7.408 1.00 0.00 N ATOM 28 CA MET A 3 -12.518 -23.955 6.464 1.00 0.00 C ATOM 29 C MET A 3 -13.099 -22.563 6.489 1.00 0.00 C ATOM 30 O MET A 3 -13.171 -21.939 7.556 1.00 0.00 O ATOM 31 CB MET A 3 -13.617 -24.971 6.782 1.00 0.00 C ATOM 32 CG MET A 3 -13.147 -26.415 6.858 1.00 0.00 C ATOM 33 SD MET A 3 -12.412 -27.029 5.331 1.00 0.00 S ATOM 34 CE MET A 3 -11.972 -28.688 5.851 1.00 0.00 C ATOM 0 H MET A 3 -11.693 -24.133 8.387 1.00 0.00 H new ATOM 0 HA MET A 3 -12.125 -24.170 5.470 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.076 -24.703 7.733 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.393 -24.896 6.021 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.418 -26.507 7.663 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.994 -27.048 7.122 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.501 -29.216 5.022 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.277 -28.634 6.689 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.870 -29.223 6.159 1.00 0.00 H new ATOM 44 N LEU A 4 -13.518 -22.094 5.318 1.00 0.00 N ATOM 45 CA LEU A 4 -14.125 -20.770 5.108 1.00 0.00 C ATOM 46 C LEU A 4 -13.139 -19.629 5.285 1.00 0.00 C ATOM 47 O LEU A 4 -12.563 -19.431 6.365 1.00 0.00 O ATOM 48 CB LEU A 4 -15.401 -20.516 5.959 1.00 0.00 C ATOM 49 CG LEU A 4 -16.697 -21.255 5.558 1.00 0.00 C ATOM 50 CD1 LEU A 4 -16.594 -22.758 5.763 1.00 0.00 C ATOM 51 CD2 LEU A 4 -17.883 -20.688 6.320 1.00 0.00 C ATOM 0 H LEU A 4 -13.445 -22.637 4.457 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.437 -20.790 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.172 -20.779 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.607 -19.446 5.941 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.847 -21.092 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.530 -23.231 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.780 -23.153 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.398 -22.969 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.790 -21.218 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.720 -20.811 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.991 -19.628 6.089 1.00 0.00 H new ATOM 63 N ARG A 5 -12.930 -18.882 4.228 1.00 0.00 N ATOM 64 CA ARG A 5 -12.096 -17.717 4.305 1.00 0.00 C ATOM 65 C ARG A 5 -12.909 -16.559 4.877 1.00 0.00 C ATOM 66 O ARG A 5 -13.711 -15.917 4.191 1.00 0.00 O ATOM 67 CB ARG A 5 -11.419 -17.379 2.949 1.00 0.00 C ATOM 68 CG ARG A 5 -12.353 -17.148 1.765 1.00 0.00 C ATOM 69 CD ARG A 5 -11.571 -16.835 0.496 1.00 0.00 C ATOM 70 NE ARG A 5 -10.757 -15.612 0.625 1.00 0.00 N ATOM 71 CZ ARG A 5 -9.780 -15.241 -0.222 1.00 0.00 C ATOM 72 NH1 ARG A 5 -9.484 -16.001 -1.280 1.00 0.00 N ATOM 73 NH2 ARG A 5 -9.115 -14.105 -0.019 1.00 0.00 N ATOM 0 H ARG A 5 -13.328 -19.064 3.306 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.265 -17.919 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.811 -16.485 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.739 -18.192 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.968 -18.034 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.031 -16.325 1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.922 -17.677 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.265 -16.720 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.950 -15.000 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.999 -16.865 -1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.743 -15.717 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.346 -13.515 0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.375 -13.826 -0.662 1.00 0.00 H new ATOM 87 N THR A 6 -12.791 -16.384 6.158 1.00 0.00 N ATOM 88 CA THR A 6 -13.506 -15.369 6.855 1.00 0.00 C ATOM 89 C THR A 6 -12.613 -14.798 7.964 1.00 0.00 C ATOM 90 O THR A 6 -12.423 -15.437 9.008 1.00 0.00 O ATOM 91 CB THR A 6 -14.812 -15.955 7.465 1.00 0.00 C ATOM 92 OG1 THR A 6 -15.526 -16.697 6.449 1.00 0.00 O ATOM 93 CG2 THR A 6 -15.712 -14.839 7.976 1.00 0.00 C ATOM 0 H THR A 6 -12.187 -16.951 6.752 1.00 0.00 H new ATOM 0 HA THR A 6 -13.778 -14.573 6.161 1.00 0.00 H new ATOM 0 HB THR A 6 -14.543 -16.608 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 6 -16.348 -17.068 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 6 -16.620 -15.269 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 6 -15.187 -14.271 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 6 -15.974 -14.176 7.151 1.00 0.00 H new ATOM 101 N ALA A 7 -11.979 -13.650 7.669 1.00 0.00 N ATOM 102 CA ALA A 7 -11.125 -12.905 8.617 1.00 0.00 C ATOM 103 C ALA A 7 -9.974 -13.759 9.157 1.00 0.00 C ATOM 104 O ALA A 7 -9.537 -13.576 10.297 1.00 0.00 O ATOM 105 CB ALA A 7 -11.963 -12.345 9.764 1.00 0.00 C ATOM 0 H ALA A 7 -12.045 -13.205 6.753 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.678 -12.077 8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.318 -11.799 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.721 -11.671 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.449 -13.165 10.294 1.00 0.00 H new ATOM 111 N GLY A 8 -9.480 -14.663 8.328 1.00 0.00 N ATOM 112 CA GLY A 8 -8.389 -15.523 8.715 1.00 0.00 C ATOM 113 C GLY A 8 -7.092 -14.761 8.839 1.00 0.00 C ATOM 114 O GLY A 8 -6.555 -14.614 9.939 1.00 0.00 O ATOM 0 H GLY A 8 -9.823 -14.816 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.622 -16.001 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.274 -16.319 7.979 1.00 0.00 H new ATOM 118 N ARG A 9 -6.591 -14.260 7.730 1.00 0.00 N ATOM 119 CA ARG A 9 -5.353 -13.513 7.757 1.00 0.00 C ATOM 120 C ARG A 9 -5.392 -12.369 6.750 1.00 0.00 C ATOM 121 O ARG A 9 -5.655 -11.226 7.132 1.00 0.00 O ATOM 122 CB ARG A 9 -4.174 -14.441 7.501 1.00 0.00 C ATOM 123 CG ARG A 9 -2.812 -13.813 7.722 1.00 0.00 C ATOM 124 CD ARG A 9 -1.719 -14.840 7.507 1.00 0.00 C ATOM 125 NE ARG A 9 -1.935 -16.030 8.347 1.00 0.00 N ATOM 126 CZ ARG A 9 -1.109 -17.067 8.458 1.00 0.00 C ATOM 127 NH1 ARG A 9 0.064 -17.067 7.841 1.00 0.00 N ATOM 128 NH2 ARG A 9 -1.463 -18.098 9.212 1.00 0.00 N ATOM 0 H ARG A 9 -7.017 -14.355 6.808 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.228 -13.074 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.267 -15.311 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.230 -14.802 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.674 -12.976 7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.749 -13.411 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.692 -15.132 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.750 -14.398 7.740 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.796 -16.062 8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.342 -16.266 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.689 -17.868 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.359 -18.090 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.839 -18.899 9.306 1.00 0.00 H new ATOM 142 N ASP A 10 -5.201 -12.696 5.463 1.00 0.00 N ATOM 143 CA ASP A 10 -5.207 -11.709 4.364 1.00 0.00 C ATOM 144 C ASP A 10 -4.114 -10.648 4.640 1.00 0.00 C ATOM 145 O ASP A 10 -3.079 -10.968 5.237 1.00 0.00 O ATOM 146 CB ASP A 10 -6.635 -11.092 4.215 1.00 0.00 C ATOM 147 CG ASP A 10 -6.843 -10.218 2.979 1.00 0.00 C ATOM 148 OD1 ASP A 10 -5.970 -10.194 2.082 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.875 -9.512 2.914 1.00 0.00 O ATOM 0 H ASP A 10 -5.037 -13.653 5.151 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.972 -12.184 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.363 -11.903 4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.849 -10.496 5.102 1.00 0.00 H new ATOM 154 N GLY A 11 -4.283 -9.451 4.150 1.00 0.00 N ATOM 155 CA GLY A 11 -3.330 -8.409 4.390 1.00 0.00 C ATOM 156 C GLY A 11 -2.279 -8.434 3.330 1.00 0.00 C ATOM 157 O GLY A 11 -2.268 -7.590 2.449 1.00 0.00 O ATOM 0 H GLY A 11 -5.080 -9.174 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.830 -7.440 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.874 -8.539 5.371 1.00 0.00 H new ATOM 161 N LEU A 12 -1.448 -9.461 3.376 1.00 0.00 N ATOM 162 CA LEU A 12 -0.371 -9.672 2.411 1.00 0.00 C ATOM 163 C LEU A 12 -0.996 -9.888 1.035 1.00 0.00 C ATOM 164 O LEU A 12 -0.609 -9.254 0.045 1.00 0.00 O ATOM 165 CB LEU A 12 0.444 -10.920 2.846 1.00 0.00 C ATOM 166 CG LEU A 12 1.850 -11.163 2.212 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.784 -11.538 0.739 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.741 -9.952 2.406 1.00 0.00 C ATOM 0 H LEU A 12 -1.499 -10.185 4.093 1.00 0.00 H new ATOM 0 HA LEU A 12 0.297 -8.812 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.575 -10.868 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.166 -11.800 2.641 1.00 0.00 H new ATOM 0 HG LEU A 12 2.280 -12.017 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.793 -11.693 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.207 -12.455 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.305 -10.734 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.716 -10.142 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.285 -9.084 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.864 -9.758 3.471 1.00 0.00 H new ATOM 180 N CYS A 13 -1.988 -10.760 1.012 1.00 0.00 N ATOM 181 CA CYS A 13 -2.729 -11.106 -0.183 1.00 0.00 C ATOM 182 C CYS A 13 -3.354 -9.851 -0.803 1.00 0.00 C ATOM 183 O CYS A 13 -3.180 -9.569 -1.998 1.00 0.00 O ATOM 184 CB CYS A 13 -3.811 -12.102 0.206 1.00 0.00 C ATOM 185 SG CYS A 13 -3.173 -13.601 0.992 1.00 0.00 S ATOM 0 H CYS A 13 -2.306 -11.257 1.844 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.063 -11.548 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.512 -11.617 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.373 -12.381 -0.685 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.163 -14.389 1.291 1.00 0.00 H new ATOM 191 N ARG A 14 -4.054 -9.102 0.029 1.00 0.00 N ATOM 192 CA ARG A 14 -4.680 -7.846 -0.343 1.00 0.00 C ATOM 193 C ARG A 14 -3.640 -6.887 -0.917 1.00 0.00 C ATOM 194 O ARG A 14 -3.789 -6.389 -2.022 1.00 0.00 O ATOM 195 CB ARG A 14 -5.279 -7.236 0.911 1.00 0.00 C ATOM 196 CG ARG A 14 -6.121 -5.991 0.713 1.00 0.00 C ATOM 197 CD ARG A 14 -6.548 -5.447 2.062 1.00 0.00 C ATOM 198 NE ARG A 14 -7.108 -6.507 2.923 1.00 0.00 N ATOM 199 CZ ARG A 14 -6.965 -6.569 4.262 1.00 0.00 C ATOM 200 NH1 ARG A 14 -6.309 -5.610 4.908 1.00 0.00 N ATOM 201 NH2 ARG A 14 -7.451 -7.610 4.933 1.00 0.00 N ATOM 0 H ARG A 14 -4.207 -9.356 1.005 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.447 -8.022 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.894 -7.992 1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.467 -6.995 1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.552 -5.237 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.998 -6.225 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.692 -4.989 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.291 -4.662 1.920 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.643 -7.248 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.913 -4.825 4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.202 -5.659 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.931 -8.359 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.344 -7.659 5.946 1.00 0.00 H new ATOM 215 N LEU A 15 -2.570 -6.705 -0.165 1.00 0.00 N ATOM 216 CA LEU A 15 -1.492 -5.779 -0.470 1.00 0.00 C ATOM 217 C LEU A 15 -0.901 -6.024 -1.865 1.00 0.00 C ATOM 218 O LEU A 15 -0.809 -5.098 -2.682 1.00 0.00 O ATOM 219 CB LEU A 15 -0.420 -5.913 0.619 1.00 0.00 C ATOM 220 CG LEU A 15 0.737 -4.934 0.597 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.218 -3.528 0.656 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.652 -5.187 1.778 1.00 0.00 C ATOM 0 H LEU A 15 -2.421 -7.215 0.706 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.885 -4.763 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.913 -5.826 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.007 -6.920 0.561 1.00 0.00 H new ATOM 0 HG LEU A 15 1.298 -5.072 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.055 -2.830 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.426 -3.342 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.353 -3.389 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.481 -4.479 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.093 -5.060 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.042 -6.204 1.725 1.00 0.00 H new ATOM 234 N SER A 16 -0.565 -7.271 -2.149 1.00 0.00 N ATOM 235 CA SER A 16 0.034 -7.641 -3.425 1.00 0.00 C ATOM 236 C SER A 16 -0.957 -7.385 -4.585 1.00 0.00 C ATOM 237 O SER A 16 -0.561 -6.974 -5.670 1.00 0.00 O ATOM 238 CB SER A 16 0.479 -9.118 -3.382 1.00 0.00 C ATOM 239 OG SER A 16 1.279 -9.476 -4.501 1.00 0.00 O ATOM 0 H SER A 16 -0.698 -8.053 -1.508 1.00 0.00 H new ATOM 0 HA SER A 16 0.913 -7.022 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.040 -9.299 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.402 -9.759 -3.349 1.00 0.00 H new ATOM 0 HG SER A 16 1.538 -10.418 -4.430 1.00 0.00 H new ATOM 245 N THR A 17 -2.247 -7.545 -4.301 1.00 0.00 N ATOM 246 CA THR A 17 -3.304 -7.363 -5.297 1.00 0.00 C ATOM 247 C THR A 17 -3.417 -5.871 -5.736 1.00 0.00 C ATOM 248 O THR A 17 -3.913 -5.552 -6.828 1.00 0.00 O ATOM 249 CB THR A 17 -4.655 -7.884 -4.736 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.491 -9.252 -4.300 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.759 -7.835 -5.789 1.00 0.00 C ATOM 0 H THR A 17 -2.591 -7.804 -3.376 1.00 0.00 H new ATOM 0 HA THR A 17 -3.047 -7.943 -6.184 1.00 0.00 H new ATOM 0 HB THR A 17 -4.944 -7.241 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.945 -9.273 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.689 -8.207 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.899 -6.806 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.478 -8.456 -6.640 1.00 0.00 H new ATOM 259 N TYR A 18 -2.954 -4.975 -4.891 1.00 0.00 N ATOM 260 CA TYR A 18 -2.929 -3.563 -5.232 1.00 0.00 C ATOM 261 C TYR A 18 -1.603 -3.209 -5.843 1.00 0.00 C ATOM 262 O TYR A 18 -1.534 -2.502 -6.831 1.00 0.00 O ATOM 263 CB TYR A 18 -3.189 -2.680 -4.015 1.00 0.00 C ATOM 264 CG TYR A 18 -4.601 -2.729 -3.507 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.074 -3.838 -2.835 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.461 -1.653 -3.683 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.350 -3.893 -2.349 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.749 -1.704 -3.199 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.184 -2.830 -2.531 1.00 0.00 C ATOM 270 OH TYR A 18 -8.452 -2.881 -2.026 1.00 0.00 O ATOM 0 H TYR A 18 -2.590 -5.195 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.728 -3.382 -5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.516 -2.980 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.942 -1.649 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.419 -4.684 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.117 -0.771 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.695 -4.772 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.416 -0.866 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.932 -2.061 -2.265 1.00 0.00 H new ATOM 280 N LEU A 19 -0.551 -3.743 -5.278 1.00 0.00 N ATOM 281 CA LEU A 19 0.791 -3.472 -5.745 1.00 0.00 C ATOM 282 C LEU A 19 1.046 -4.004 -7.164 1.00 0.00 C ATOM 283 O LEU A 19 1.902 -3.490 -7.874 1.00 0.00 O ATOM 284 CB LEU A 19 1.823 -3.966 -4.731 1.00 0.00 C ATOM 285 CG LEU A 19 1.895 -3.163 -3.417 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.802 -3.850 -2.427 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.414 -1.772 -3.708 1.00 0.00 C ATOM 0 H LEU A 19 -0.597 -4.378 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 19 0.901 -2.390 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.602 -5.006 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.806 -3.950 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 19 0.896 -3.100 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.841 -3.269 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.417 -4.847 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.804 -3.931 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.466 -1.202 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.409 -1.840 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.742 -1.271 -4.405 1.00 0.00 H new ATOM 299 N GLU A 20 0.274 -5.004 -7.587 1.00 0.00 N ATOM 300 CA GLU A 20 0.380 -5.528 -8.954 1.00 0.00 C ATOM 301 C GLU A 20 -0.214 -4.541 -9.972 1.00 0.00 C ATOM 302 O GLU A 20 0.039 -4.638 -11.178 1.00 0.00 O ATOM 303 CB GLU A 20 -0.287 -6.900 -9.082 1.00 0.00 C ATOM 304 CG GLU A 20 -1.753 -6.902 -8.744 1.00 0.00 C ATOM 305 CD GLU A 20 -2.387 -8.252 -8.923 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.296 -9.097 -8.006 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.994 -8.490 -9.991 1.00 0.00 O ATOM 0 H GLU A 20 -0.428 -5.467 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 20 1.441 -5.650 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.160 -7.261 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.227 -7.605 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.884 -6.577 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.268 -6.177 -9.374 1.00 0.00 H new ATOM 314 N GLU A 21 -0.984 -3.580 -9.473 1.00 0.00 N ATOM 315 CA GLU A 21 -1.588 -2.544 -10.304 1.00 0.00 C ATOM 316 C GLU A 21 -0.589 -1.437 -10.559 1.00 0.00 C ATOM 317 O GLU A 21 -0.868 -0.493 -11.296 1.00 0.00 O ATOM 318 CB GLU A 21 -2.825 -1.957 -9.623 1.00 0.00 C ATOM 319 CG GLU A 21 -3.999 -2.911 -9.512 1.00 0.00 C ATOM 320 CD GLU A 21 -4.712 -3.138 -10.828 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.197 -2.760 -11.891 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.839 -3.667 -10.813 1.00 0.00 O ATOM 0 H GLU A 21 -1.207 -3.497 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.885 -2.997 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.549 -1.624 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.143 -1.074 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.646 -3.868 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.710 -2.519 -8.785 1.00 0.00 H new ATOM 329 N LEU A 22 0.565 -1.553 -9.952 1.00 0.00 N ATOM 330 CA LEU A 22 1.609 -0.582 -10.102 1.00 0.00 C ATOM 331 C LEU A 22 2.683 -1.097 -11.033 1.00 0.00 C ATOM 332 O LEU A 22 3.027 -2.289 -11.007 1.00 0.00 O ATOM 333 CB LEU A 22 2.234 -0.231 -8.749 1.00 0.00 C ATOM 334 CG LEU A 22 1.334 0.431 -7.711 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.155 0.840 -6.507 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.608 1.635 -8.291 1.00 0.00 C ATOM 0 H LEU A 22 0.804 -2.331 -9.337 1.00 0.00 H new ATOM 0 HA LEU A 22 1.164 0.318 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.632 -1.148 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.081 0.430 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 22 0.579 -0.293 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.507 1.312 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.622 -0.042 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.927 1.544 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.024 2.083 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.337 2.369 -8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.010 1.317 -9.131 1.00 0.00 H new ATOM 348 N GLU A 23 3.192 -0.214 -11.868 1.00 0.00 N ATOM 349 CA GLU A 23 4.276 -0.549 -12.773 1.00 0.00 C ATOM 350 C GLU A 23 5.579 -0.540 -12.016 1.00 0.00 C ATOM 351 O GLU A 23 5.620 -0.147 -10.847 1.00 0.00 O ATOM 352 CB GLU A 23 4.420 0.490 -13.866 1.00 0.00 C ATOM 353 CG GLU A 23 3.195 0.795 -14.658 1.00 0.00 C ATOM 354 CD GLU A 23 3.508 1.672 -15.832 1.00 0.00 C ATOM 355 OE1 GLU A 23 4.357 1.286 -16.668 1.00 0.00 O ATOM 356 OE2 GLU A 23 2.885 2.741 -15.977 1.00 0.00 O ATOM 0 H GLU A 23 2.869 0.751 -11.940 1.00 0.00 H new ATOM 0 HA GLU A 23 4.051 -1.526 -13.201 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.772 1.416 -13.412 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.197 0.156 -14.554 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.744 -0.134 -15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.460 1.287 -14.020 1.00 0.00 H new ATOM 363 N ALA A 24 6.652 -0.893 -12.705 1.00 0.00 N ATOM 364 CA ALA A 24 7.983 -0.838 -12.136 1.00 0.00 C ATOM 365 C ALA A 24 8.317 0.599 -11.745 1.00 0.00 C ATOM 366 O ALA A 24 8.913 0.845 -10.693 1.00 0.00 O ATOM 367 CB ALA A 24 9.005 -1.379 -13.121 1.00 0.00 C ATOM 0 H ALA A 24 6.623 -1.224 -13.669 1.00 0.00 H new ATOM 0 HA ALA A 24 8.014 -1.461 -11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.999 -1.330 -12.677 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.765 -2.415 -13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.985 -0.781 -14.032 1.00 0.00 H new ATOM 373 N VAL A 25 7.886 1.551 -12.586 1.00 0.00 N ATOM 374 CA VAL A 25 8.052 2.971 -12.296 1.00 0.00 C ATOM 375 C VAL A 25 7.266 3.364 -11.037 1.00 0.00 C ATOM 376 O VAL A 25 7.802 4.012 -10.144 1.00 0.00 O ATOM 377 CB VAL A 25 7.661 3.891 -13.514 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.266 3.606 -14.011 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.742 5.351 -13.136 1.00 0.00 C ATOM 0 H VAL A 25 7.420 1.356 -13.472 1.00 0.00 H new ATOM 0 HA VAL A 25 9.114 3.133 -12.112 1.00 0.00 H new ATOM 0 HB VAL A 25 8.374 3.669 -14.308 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.038 4.262 -14.851 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.200 2.567 -14.334 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.551 3.782 -13.208 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.467 5.965 -13.994 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.057 5.552 -12.312 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.760 5.591 -12.829 1.00 0.00 H new ATOM 389 N GLU A 26 6.028 2.903 -10.945 1.00 0.00 N ATOM 390 CA GLU A 26 5.170 3.233 -9.825 1.00 0.00 C ATOM 391 C GLU A 26 5.725 2.647 -8.541 1.00 0.00 C ATOM 392 O GLU A 26 5.774 3.321 -7.512 1.00 0.00 O ATOM 393 CB GLU A 26 3.745 2.747 -10.059 1.00 0.00 C ATOM 394 CG GLU A 26 3.075 3.294 -11.311 1.00 0.00 C ATOM 395 CD GLU A 26 3.126 4.793 -11.389 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.400 5.485 -10.650 1.00 0.00 O ATOM 397 OE2 GLU A 26 3.921 5.315 -12.163 1.00 0.00 O ATOM 0 H GLU A 26 5.595 2.295 -11.640 1.00 0.00 H new ATOM 0 HA GLU A 26 5.143 4.319 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.753 1.659 -10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.139 3.016 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.560 2.872 -12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.035 2.968 -11.333 1.00 0.00 H new ATOM 404 N LEU A 27 6.183 1.410 -8.620 1.00 0.00 N ATOM 405 CA LEU A 27 6.774 0.733 -7.483 1.00 0.00 C ATOM 406 C LEU A 27 8.040 1.453 -7.015 1.00 0.00 C ATOM 407 O LEU A 27 8.271 1.612 -5.819 1.00 0.00 O ATOM 408 CB LEU A 27 7.094 -0.722 -7.821 1.00 0.00 C ATOM 409 CG LEU A 27 5.900 -1.640 -8.123 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.380 -3.009 -8.578 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.003 -1.780 -6.902 1.00 0.00 C ATOM 0 H LEU A 27 6.155 0.850 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 27 6.045 0.750 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.758 -0.732 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.650 -1.150 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 27 5.321 -1.186 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.520 -3.645 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.981 -2.902 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.984 -3.462 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.164 -2.434 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.574 -2.207 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.627 -0.799 -6.613 1.00 0.00 H new ATOM 423 N LYS A 28 8.825 1.917 -7.974 1.00 0.00 N ATOM 424 CA LYS A 28 10.054 2.645 -7.699 1.00 0.00 C ATOM 425 C LYS A 28 9.743 3.936 -6.935 1.00 0.00 C ATOM 426 O LYS A 28 10.432 4.284 -5.964 1.00 0.00 O ATOM 427 CB LYS A 28 10.765 2.958 -9.024 1.00 0.00 C ATOM 428 CG LYS A 28 12.114 3.636 -8.890 1.00 0.00 C ATOM 429 CD LYS A 28 12.759 3.816 -10.257 1.00 0.00 C ATOM 430 CE LYS A 28 14.118 4.489 -10.158 1.00 0.00 C ATOM 431 NZ LYS A 28 15.048 3.736 -9.290 1.00 0.00 N ATOM 0 H LYS A 28 8.628 1.799 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 28 10.710 2.033 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.898 2.027 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.115 3.594 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.994 4.606 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.765 3.040 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.869 2.844 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.104 4.412 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.549 4.584 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.995 5.499 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.017 4.086 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.776 3.866 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.006 2.725 -9.531 1.00 0.00 H new ATOM 445 N LYS A 29 8.681 4.612 -7.354 1.00 0.00 N ATOM 446 CA LYS A 29 8.267 5.859 -6.731 1.00 0.00 C ATOM 447 C LYS A 29 7.720 5.607 -5.326 1.00 0.00 C ATOM 448 O LYS A 29 8.060 6.312 -4.379 1.00 0.00 O ATOM 449 CB LYS A 29 7.191 6.572 -7.556 1.00 0.00 C ATOM 450 CG LYS A 29 7.557 6.884 -9.010 1.00 0.00 C ATOM 451 CD LYS A 29 6.471 7.715 -9.676 1.00 0.00 C ATOM 452 CE LYS A 29 5.168 6.946 -9.765 1.00 0.00 C ATOM 453 NZ LYS A 29 4.055 7.739 -10.318 1.00 0.00 N ATOM 0 H LYS A 29 8.088 4.313 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 29 9.151 6.494 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.291 5.957 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.939 7.508 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.504 7.422 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.699 5.954 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.316 8.634 -9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.794 8.005 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.318 6.063 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.894 6.594 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.291 7.101 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.696 8.389 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.392 8.287 -11.135 1.00 0.00 H new ATOM 467 N PHE A 30 6.895 4.585 -5.192 1.00 0.00 N ATOM 468 CA PHE A 30 6.267 4.275 -3.919 1.00 0.00 C ATOM 469 C PHE A 30 7.301 3.829 -2.878 1.00 0.00 C ATOM 470 O PHE A 30 7.204 4.177 -1.704 1.00 0.00 O ATOM 471 CB PHE A 30 5.080 3.282 -4.122 1.00 0.00 C ATOM 472 CG PHE A 30 5.160 1.932 -3.454 1.00 0.00 C ATOM 473 CD1 PHE A 30 5.912 0.920 -4.002 1.00 0.00 C ATOM 474 CD2 PHE A 30 4.447 1.674 -2.299 1.00 0.00 C ATOM 475 CE1 PHE A 30 5.967 -0.320 -3.422 1.00 0.00 C ATOM 476 CE2 PHE A 30 4.491 0.426 -1.711 1.00 0.00 C ATOM 477 CZ PHE A 30 5.257 -0.570 -2.278 1.00 0.00 C ATOM 0 H PHE A 30 6.643 3.953 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 30 5.827 5.182 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.171 3.773 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.963 3.117 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.470 1.106 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.850 2.455 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.569 -1.099 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.928 0.231 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.297 -1.547 -1.820 1.00 0.00 H new ATOM 487 N LYS A 31 8.324 3.125 -3.328 1.00 0.00 N ATOM 488 CA LYS A 31 9.390 2.693 -2.441 1.00 0.00 C ATOM 489 C LYS A 31 10.336 3.806 -2.086 1.00 0.00 C ATOM 490 O LYS A 31 10.981 3.737 -1.050 1.00 0.00 O ATOM 491 CB LYS A 31 10.148 1.496 -2.979 1.00 0.00 C ATOM 492 CG LYS A 31 9.412 0.174 -2.879 1.00 0.00 C ATOM 493 CD LYS A 31 9.240 -0.256 -1.424 1.00 0.00 C ATOM 494 CE LYS A 31 8.582 -1.614 -1.326 1.00 0.00 C ATOM 495 NZ LYS A 31 8.408 -2.053 0.072 1.00 0.00 N ATOM 0 H LYS A 31 8.440 2.840 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 31 8.892 2.381 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.393 1.680 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.092 1.411 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.434 0.263 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.962 -0.593 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.213 -0.285 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.638 0.481 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.610 -1.580 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.185 -2.347 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.969 -2.996 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.335 -2.095 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.797 -1.378 0.574 1.00 0.00 H new ATOM 509 N LEU A 32 10.448 4.822 -2.918 1.00 0.00 N ATOM 510 CA LEU A 32 11.270 5.929 -2.530 1.00 0.00 C ATOM 511 C LEU A 32 10.526 6.745 -1.506 1.00 0.00 C ATOM 512 O LEU A 32 11.108 7.197 -0.538 1.00 0.00 O ATOM 513 CB LEU A 32 11.798 6.772 -3.742 1.00 0.00 C ATOM 514 CG LEU A 32 10.810 7.597 -4.606 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.410 8.917 -3.939 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.401 7.855 -5.980 1.00 0.00 C ATOM 0 H LEU A 32 9.997 4.897 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 32 12.184 5.546 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.544 7.465 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.318 6.086 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 32 9.901 7.004 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.717 9.456 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.928 8.710 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.299 9.525 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.697 8.435 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.333 8.411 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.599 6.904 -6.475 1.00 0.00 H new ATOM 528 N TYR A 33 9.215 6.852 -1.693 1.00 0.00 N ATOM 529 CA TYR A 33 8.382 7.607 -0.794 1.00 0.00 C ATOM 530 C TYR A 33 8.394 6.998 0.596 1.00 0.00 C ATOM 531 O TYR A 33 8.886 7.597 1.504 1.00 0.00 O ATOM 532 CB TYR A 33 6.945 7.728 -1.316 1.00 0.00 C ATOM 533 CG TYR A 33 6.068 8.606 -0.443 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.352 8.078 0.629 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.973 9.961 -0.682 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.570 8.874 1.429 1.00 0.00 C ATOM 537 CE2 TYR A 33 5.193 10.769 0.115 1.00 0.00 C ATOM 538 CZ TYR A 33 4.491 10.223 1.169 1.00 0.00 C ATOM 539 OH TYR A 33 3.711 11.031 1.972 1.00 0.00 O ATOM 0 H TYR A 33 8.713 6.418 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 33 8.798 8.613 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.965 8.135 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.503 6.734 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.413 7.020 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.519 10.395 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.022 8.445 2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.131 11.829 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 33 3.753 10.711 2.897 1.00 0.00 H new ATOM 549 N LEU A 34 7.898 5.781 0.736 1.00 0.00 N ATOM 550 CA LEU A 34 7.801 5.154 2.059 1.00 0.00 C ATOM 551 C LEU A 34 9.091 4.476 2.488 1.00 0.00 C ATOM 552 O LEU A 34 9.166 3.867 3.555 1.00 0.00 O ATOM 553 CB LEU A 34 6.600 4.188 2.129 1.00 0.00 C ATOM 554 CG LEU A 34 6.470 3.097 1.046 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.527 2.008 1.166 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.100 2.489 1.075 1.00 0.00 C ATOM 0 H LEU A 34 7.558 5.206 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 34 7.630 5.958 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.630 3.691 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.690 4.788 2.107 1.00 0.00 H new ATOM 0 HG LEU A 34 6.632 3.592 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.381 1.271 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.518 2.451 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.439 1.521 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.026 1.722 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.922 2.040 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.355 3.262 0.889 1.00 0.00 H new ATOM 568 N GLY A 35 10.093 4.571 1.668 1.00 0.00 N ATOM 569 CA GLY A 35 11.329 3.942 1.988 1.00 0.00 C ATOM 570 C GLY A 35 12.279 4.885 2.660 1.00 0.00 C ATOM 571 O GLY A 35 12.757 4.607 3.749 1.00 0.00 O ATOM 0 H GLY A 35 10.076 5.074 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.144 3.088 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.786 3.555 1.077 1.00 0.00 H new ATOM 575 N THR A 36 12.524 6.013 2.038 1.00 0.00 N ATOM 576 CA THR A 36 13.448 7.001 2.603 1.00 0.00 C ATOM 577 C THR A 36 12.650 8.180 3.208 1.00 0.00 C ATOM 578 O THR A 36 13.181 9.263 3.478 1.00 0.00 O ATOM 579 CB THR A 36 14.520 7.476 1.540 1.00 0.00 C ATOM 580 OG1 THR A 36 15.470 8.403 2.108 1.00 0.00 O ATOM 581 CG2 THR A 36 13.879 8.103 0.311 1.00 0.00 C ATOM 0 H THR A 36 12.106 6.280 1.147 1.00 0.00 H new ATOM 0 HA THR A 36 14.014 6.532 3.408 1.00 0.00 H new ATOM 0 HB THR A 36 15.048 6.573 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.036 8.925 2.815 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.657 8.412 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.227 7.374 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.293 8.972 0.610 1.00 0.00 H new ATOM 589 N ALA A 37 11.377 7.913 3.461 1.00 0.00 N ATOM 590 CA ALA A 37 10.432 8.867 4.047 1.00 0.00 C ATOM 591 C ALA A 37 10.944 9.506 5.330 1.00 0.00 C ATOM 592 O ALA A 37 11.143 8.829 6.355 1.00 0.00 O ATOM 593 CB ALA A 37 9.133 8.169 4.353 1.00 0.00 C ATOM 0 H ALA A 37 10.957 7.005 3.261 1.00 0.00 H new ATOM 0 HA ALA A 37 10.296 9.659 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.432 8.880 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.713 7.762 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.313 7.358 5.059 1.00 0.00 H new ATOM 599 N THR A 38 11.096 10.812 5.297 1.00 0.00 N ATOM 600 CA THR A 38 11.510 11.562 6.456 1.00 0.00 C ATOM 601 C THR A 38 10.324 11.647 7.432 1.00 0.00 C ATOM 602 O THR A 38 10.485 11.839 8.631 1.00 0.00 O ATOM 603 CB THR A 38 11.973 12.970 6.030 1.00 0.00 C ATOM 604 OG1 THR A 38 12.842 12.832 4.883 1.00 0.00 O ATOM 605 CG2 THR A 38 12.763 13.645 7.145 1.00 0.00 C ATOM 0 H THR A 38 10.936 11.381 4.466 1.00 0.00 H new ATOM 0 HA THR A 38 12.347 11.067 6.949 1.00 0.00 H new ATOM 0 HB THR A 38 11.096 13.575 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.147 13.718 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.078 14.636 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.135 13.737 8.031 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.642 13.045 7.383 1.00 0.00 H new ATOM 613 N GLU A 39 9.140 11.403 6.892 1.00 0.00 N ATOM 614 CA GLU A 39 7.897 11.398 7.654 1.00 0.00 C ATOM 615 C GLU A 39 7.704 10.069 8.394 1.00 0.00 C ATOM 616 O GLU A 39 6.656 9.822 8.989 1.00 0.00 O ATOM 617 CB GLU A 39 6.719 11.688 6.734 1.00 0.00 C ATOM 618 CG GLU A 39 6.555 10.692 5.609 1.00 0.00 C ATOM 619 CD GLU A 39 5.598 11.177 4.572 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.993 12.024 3.759 1.00 0.00 O ATOM 621 OE2 GLU A 39 4.435 10.728 4.547 1.00 0.00 O ATOM 0 H GLU A 39 9.012 11.200 5.901 1.00 0.00 H new ATOM 0 HA GLU A 39 7.952 12.184 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.804 11.704 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.841 12.684 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.524 10.502 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.203 9.743 6.013 1.00 0.00 H new ATOM 628 N LEU A 40 8.695 9.203 8.303 1.00 0.00 N ATOM 629 CA LEU A 40 8.713 7.983 9.085 1.00 0.00 C ATOM 630 C LEU A 40 9.769 8.139 10.153 1.00 0.00 C ATOM 631 O LEU A 40 9.498 7.999 11.341 1.00 0.00 O ATOM 632 CB LEU A 40 9.017 6.742 8.234 1.00 0.00 C ATOM 633 CG LEU A 40 8.008 6.372 7.145 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.461 5.121 6.428 1.00 0.00 C ATOM 635 CD2 LEU A 40 6.615 6.165 7.720 1.00 0.00 C ATOM 0 H LEU A 40 9.502 9.324 7.691 1.00 0.00 H new ATOM 0 HA LEU A 40 7.724 7.830 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.987 6.888 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.116 5.889 8.905 1.00 0.00 H new ATOM 0 HG LEU A 40 7.958 7.201 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.738 4.863 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.435 5.296 5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.537 4.300 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.925 5.904 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.640 5.359 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.280 7.084 8.202 1.00 0.00 H new ATOM 647 N GLY A 41 10.974 8.451 9.722 1.00 0.00 N ATOM 648 CA GLY A 41 12.048 8.682 10.650 1.00 0.00 C ATOM 649 C GLY A 41 13.155 7.685 10.487 1.00 0.00 C ATOM 650 O GLY A 41 14.320 8.058 10.347 1.00 0.00 O ATOM 0 H GLY A 41 11.228 8.549 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.442 9.688 10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.664 8.634 11.669 1.00 0.00 H new ATOM 654 N GLU A 42 12.797 6.421 10.485 1.00 0.00 N ATOM 655 CA GLU A 42 13.772 5.351 10.346 1.00 0.00 C ATOM 656 C GLU A 42 14.264 5.229 8.911 1.00 0.00 C ATOM 657 O GLU A 42 15.464 5.315 8.641 1.00 0.00 O ATOM 658 CB GLU A 42 13.189 3.985 10.765 1.00 0.00 C ATOM 659 CG GLU A 42 12.794 3.825 12.230 1.00 0.00 C ATOM 660 CD GLU A 42 11.646 4.696 12.640 1.00 0.00 C ATOM 661 OE1 GLU A 42 10.595 4.650 11.987 1.00 0.00 O ATOM 662 OE2 GLU A 42 11.785 5.462 13.610 1.00 0.00 O ATOM 0 H GLU A 42 11.833 6.102 10.578 1.00 0.00 H new ATOM 0 HA GLU A 42 14.600 5.613 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.309 3.789 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.922 3.215 10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.533 2.783 12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.655 4.055 12.857 1.00 0.00 H new ATOM 669 N GLY A 43 13.332 5.067 8.000 1.00 0.00 N ATOM 670 CA GLY A 43 13.688 4.743 6.643 1.00 0.00 C ATOM 671 C GLY A 43 13.897 3.252 6.570 1.00 0.00 C ATOM 672 O GLY A 43 15.033 2.765 6.495 1.00 0.00 O ATOM 0 H GLY A 43 12.331 5.154 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.901 5.053 5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.595 5.272 6.348 1.00 0.00 H new ATOM 676 N LYS A 44 12.792 2.523 6.619 1.00 0.00 N ATOM 677 CA LYS A 44 12.817 1.070 6.761 1.00 0.00 C ATOM 678 C LYS A 44 13.339 0.339 5.537 1.00 0.00 C ATOM 679 O LYS A 44 13.959 -0.710 5.664 1.00 0.00 O ATOM 680 CB LYS A 44 11.427 0.520 7.126 1.00 0.00 C ATOM 681 CG LYS A 44 10.912 0.874 8.525 1.00 0.00 C ATOM 682 CD LYS A 44 11.843 0.347 9.613 1.00 0.00 C ATOM 683 CE LYS A 44 11.256 0.502 11.012 1.00 0.00 C ATOM 684 NZ LYS A 44 10.092 -0.383 11.230 1.00 0.00 N ATOM 0 H LYS A 44 11.853 2.918 6.562 1.00 0.00 H new ATOM 0 HA LYS A 44 13.519 0.880 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.709 0.886 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.452 -0.566 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.819 1.956 8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.915 0.456 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.055 -0.706 9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.794 0.878 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.024 0.279 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.956 1.539 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.219 0.182 11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.053 -1.098 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.184 -0.857 12.151 1.00 0.00 H new ATOM 698 N ILE A 45 13.111 0.877 4.374 1.00 0.00 N ATOM 699 CA ILE A 45 13.473 0.165 3.175 1.00 0.00 C ATOM 700 C ILE A 45 14.888 0.481 2.728 1.00 0.00 C ATOM 701 O ILE A 45 15.227 1.642 2.510 1.00 0.00 O ATOM 702 CB ILE A 45 12.492 0.434 2.006 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.057 0.017 2.380 1.00 0.00 C ATOM 704 CG2 ILE A 45 12.960 -0.314 0.751 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.882 -1.476 2.592 1.00 0.00 C ATOM 0 H ILE A 45 12.683 1.791 4.227 1.00 0.00 H new ATOM 0 HA ILE A 45 13.415 -0.892 3.436 1.00 0.00 H new ATOM 0 HB ILE A 45 12.484 1.504 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.764 0.539 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.378 0.344 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.266 -0.121 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.956 0.031 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.991 -1.384 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.845 -1.687 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.142 -2.006 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.534 -1.808 3.401 1.00 0.00 H new ATOM 717 N PRO A 46 15.737 -0.546 2.618 1.00 0.00 N ATOM 718 CA PRO A 46 17.056 -0.399 2.052 1.00 0.00 C ATOM 719 C PRO A 46 16.984 -0.166 0.536 1.00 0.00 C ATOM 720 O PRO A 46 16.098 -0.697 -0.164 1.00 0.00 O ATOM 721 CB PRO A 46 17.749 -1.712 2.359 1.00 0.00 C ATOM 722 CG PRO A 46 16.665 -2.679 2.613 1.00 0.00 C ATOM 723 CD PRO A 46 15.479 -1.915 3.082 1.00 0.00 C ATOM 0 HA PRO A 46 17.586 0.459 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.372 -2.032 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.402 -1.618 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.428 -3.235 1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.971 -3.409 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.555 -2.312 2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.379 -1.957 4.167 1.00 0.00 H new ATOM 731 N TRP A 47 17.955 0.553 0.064 1.00 0.00 N ATOM 732 CA TRP A 47 18.075 1.088 -1.292 1.00 0.00 C ATOM 733 C TRP A 47 17.999 0.018 -2.390 1.00 0.00 C ATOM 734 O TRP A 47 17.599 0.309 -3.514 1.00 0.00 O ATOM 735 CB TRP A 47 19.424 1.822 -1.407 1.00 0.00 C ATOM 736 CG TRP A 47 19.691 2.794 -0.285 1.00 0.00 C ATOM 737 CD1 TRP A 47 19.545 4.147 -0.313 1.00 0.00 C ATOM 738 CD2 TRP A 47 20.150 2.468 1.043 1.00 0.00 C ATOM 739 NE1 TRP A 47 19.881 4.677 0.907 1.00 0.00 N ATOM 740 CE2 TRP A 47 20.254 3.665 1.753 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.479 1.267 1.688 1.00 0.00 C ATOM 742 CZ2 TRP A 47 20.669 3.703 3.080 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.881 1.300 2.993 1.00 0.00 C ATOM 744 CH2 TRP A 47 20.976 2.508 3.681 1.00 0.00 C ATOM 0 H TRP A 47 18.752 0.810 0.646 1.00 0.00 H new ATOM 0 HA TRP A 47 17.227 1.755 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.226 1.084 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.454 2.360 -2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 47 19.214 4.718 -1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 47 19.857 5.668 1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.415 0.327 1.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.747 4.637 3.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.128 0.378 3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.299 2.504 4.712 1.00 0.00 H new ATOM 755 N GLY A 48 18.382 -1.191 -2.078 1.00 0.00 N ATOM 756 CA GLY A 48 18.425 -2.210 -3.088 1.00 0.00 C ATOM 757 C GLY A 48 17.734 -3.475 -2.694 1.00 0.00 C ATOM 758 O GLY A 48 18.237 -4.557 -2.945 1.00 0.00 O ATOM 0 H GLY A 48 18.665 -1.491 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.968 -1.825 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.466 -2.433 -3.323 1.00 0.00 H new ATOM 762 N SER A 49 16.596 -3.353 -2.055 1.00 0.00 N ATOM 763 CA SER A 49 15.814 -4.527 -1.692 1.00 0.00 C ATOM 764 C SER A 49 14.550 -4.606 -2.536 1.00 0.00 C ATOM 765 O SER A 49 13.837 -5.609 -2.555 1.00 0.00 O ATOM 766 CB SER A 49 15.445 -4.452 -0.223 1.00 0.00 C ATOM 767 OG SER A 49 14.795 -3.208 0.074 1.00 0.00 O ATOM 0 H SER A 49 16.186 -2.462 -1.774 1.00 0.00 H new ATOM 0 HA SER A 49 16.411 -5.420 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.787 -5.282 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.342 -4.554 0.388 1.00 0.00 H new ATOM 0 HG SER A 49 15.453 -2.482 0.052 1.00 0.00 H new ATOM 773 N MET A 50 14.298 -3.545 -3.251 1.00 0.00 N ATOM 774 CA MET A 50 13.080 -3.404 -3.992 1.00 0.00 C ATOM 775 C MET A 50 13.326 -3.081 -5.447 1.00 0.00 C ATOM 776 O MET A 50 12.457 -2.568 -6.142 1.00 0.00 O ATOM 777 CB MET A 50 12.157 -2.382 -3.302 1.00 0.00 C ATOM 778 CG MET A 50 12.847 -1.133 -2.752 1.00 0.00 C ATOM 779 SD MET A 50 13.624 -0.093 -4.005 1.00 0.00 S ATOM 780 CE MET A 50 14.331 1.190 -2.972 1.00 0.00 C ATOM 0 H MET A 50 14.935 -2.753 -3.335 1.00 0.00 H new ATOM 0 HA MET A 50 12.569 -4.367 -3.994 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.394 -2.069 -4.015 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.641 -2.881 -2.482 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.113 -0.538 -2.208 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.605 -1.440 -2.032 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.849 1.916 -3.598 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.537 1.690 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.038 0.745 -2.271 1.00 0.00 H new ATOM 790 N GLU A 51 14.488 -3.439 -5.923 1.00 0.00 N ATOM 791 CA GLU A 51 14.827 -3.209 -7.308 1.00 0.00 C ATOM 792 C GLU A 51 14.352 -4.395 -8.120 1.00 0.00 C ATOM 793 O GLU A 51 13.638 -4.262 -9.107 1.00 0.00 O ATOM 794 CB GLU A 51 16.326 -3.056 -7.461 1.00 0.00 C ATOM 795 CG GLU A 51 16.923 -1.955 -6.610 1.00 0.00 C ATOM 796 CD GLU A 51 18.403 -1.798 -6.821 1.00 0.00 C ATOM 797 OE1 GLU A 51 19.201 -2.493 -6.151 1.00 0.00 O ATOM 798 OE2 GLU A 51 18.798 -0.972 -7.660 1.00 0.00 O ATOM 0 H GLU A 51 15.219 -3.892 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 51 14.348 -2.295 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.805 -4.000 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.556 -2.857 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.425 -1.013 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.730 -2.169 -5.559 1.00 0.00 H new ATOM 805 N LYS A 52 14.706 -5.567 -7.646 1.00 0.00 N ATOM 806 CA LYS A 52 14.354 -6.824 -8.288 1.00 0.00 C ATOM 807 C LYS A 52 13.045 -7.350 -7.716 1.00 0.00 C ATOM 808 O LYS A 52 12.648 -8.493 -7.962 1.00 0.00 O ATOM 809 CB LYS A 52 15.455 -7.852 -8.039 1.00 0.00 C ATOM 810 CG LYS A 52 16.834 -7.414 -8.500 1.00 0.00 C ATOM 811 CD LYS A 52 17.893 -8.457 -8.174 1.00 0.00 C ATOM 812 CE LYS A 52 17.684 -9.759 -8.945 1.00 0.00 C ATOM 813 NZ LYS A 52 17.859 -9.587 -10.410 1.00 0.00 N ATOM 0 H LYS A 52 15.254 -5.682 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 52 14.241 -6.655 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.495 -8.074 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.192 -8.779 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.819 -7.235 -9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.094 -6.469 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.879 -8.055 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.877 -8.665 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.388 -10.508 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.683 -10.140 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.858 -10.519 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.078 -9.013 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.763 -9.108 -10.598 1.00 0.00 H new ATOM 827 N ALA A 53 12.386 -6.530 -6.959 1.00 0.00 N ATOM 828 CA ALA A 53 11.160 -6.907 -6.320 1.00 0.00 C ATOM 829 C ALA A 53 9.975 -6.592 -7.214 1.00 0.00 C ATOM 830 O ALA A 53 10.001 -5.622 -7.983 1.00 0.00 O ATOM 831 CB ALA A 53 11.025 -6.188 -4.989 1.00 0.00 C ATOM 0 H ALA A 53 12.683 -5.574 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 53 11.176 -7.982 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.090 -6.481 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.862 -6.456 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.026 -5.111 -5.156 1.00 0.00 H new ATOM 837 N GLY A 54 8.975 -7.422 -7.133 1.00 0.00 N ATOM 838 CA GLY A 54 7.748 -7.231 -7.841 1.00 0.00 C ATOM 839 C GLY A 54 6.652 -7.087 -6.824 1.00 0.00 C ATOM 840 O GLY A 54 6.968 -7.020 -5.637 1.00 0.00 O ATOM 0 H GLY A 54 8.993 -8.266 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.804 -6.343 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.550 -8.077 -8.499 1.00 0.00 H new ATOM 844 N PRO A 55 5.368 -7.083 -7.219 1.00 0.00 N ATOM 845 CA PRO A 55 4.237 -6.871 -6.289 1.00 0.00 C ATOM 846 C PRO A 55 4.276 -7.793 -5.065 1.00 0.00 C ATOM 847 O PRO A 55 4.019 -7.357 -3.936 1.00 0.00 O ATOM 848 CB PRO A 55 2.990 -7.164 -7.133 1.00 0.00 C ATOM 849 CG PRO A 55 3.482 -7.724 -8.432 1.00 0.00 C ATOM 850 CD PRO A 55 4.906 -7.278 -8.596 1.00 0.00 C ATOM 0 HA PRO A 55 4.262 -5.861 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.336 -7.874 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.409 -6.256 -7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.417 -8.812 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.870 -7.369 -9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.503 -8.027 -9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.973 -6.357 -9.175 1.00 0.00 H new ATOM 858 N LEU A 56 4.658 -9.033 -5.303 1.00 0.00 N ATOM 859 CA LEU A 56 4.730 -10.055 -4.269 1.00 0.00 C ATOM 860 C LEU A 56 5.821 -9.692 -3.255 1.00 0.00 C ATOM 861 O LEU A 56 5.554 -9.596 -2.052 1.00 0.00 O ATOM 862 CB LEU A 56 4.973 -11.437 -4.954 1.00 0.00 C ATOM 863 CG LEU A 56 4.979 -12.733 -4.101 1.00 0.00 C ATOM 864 CD1 LEU A 56 6.241 -12.873 -3.271 1.00 0.00 C ATOM 865 CD2 LEU A 56 3.744 -12.807 -3.217 1.00 0.00 C ATOM 0 H LEU A 56 4.930 -9.366 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 56 3.795 -10.117 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.209 -11.557 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.934 -11.381 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 56 4.960 -13.570 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.196 -13.796 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.109 -12.900 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.327 -12.024 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.772 -13.724 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.724 -11.947 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.850 -12.802 -3.840 1.00 0.00 H new ATOM 877 N GLU A 57 7.023 -9.448 -3.748 1.00 0.00 N ATOM 878 CA GLU A 57 8.148 -9.126 -2.890 1.00 0.00 C ATOM 879 C GLU A 57 7.927 -7.788 -2.197 1.00 0.00 C ATOM 880 O GLU A 57 8.248 -7.632 -1.020 1.00 0.00 O ATOM 881 CB GLU A 57 9.486 -9.097 -3.657 1.00 0.00 C ATOM 882 CG GLU A 57 9.918 -10.404 -4.338 1.00 0.00 C ATOM 883 CD GLU A 57 9.131 -10.738 -5.587 1.00 0.00 C ATOM 884 OE1 GLU A 57 8.396 -9.872 -6.087 1.00 0.00 O ATOM 885 OE2 GLU A 57 9.256 -11.870 -6.098 1.00 0.00 O ATOM 0 H GLU A 57 7.245 -9.467 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 57 8.210 -9.920 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.425 -8.320 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.271 -8.800 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.975 -10.335 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.815 -11.223 -3.627 1.00 0.00 H new ATOM 892 N MET A 58 7.356 -6.831 -2.928 1.00 0.00 N ATOM 893 CA MET A 58 7.054 -5.505 -2.394 1.00 0.00 C ATOM 894 C MET A 58 6.172 -5.621 -1.191 1.00 0.00 C ATOM 895 O MET A 58 6.470 -5.016 -0.156 1.00 0.00 O ATOM 896 CB MET A 58 6.372 -4.614 -3.437 1.00 0.00 C ATOM 897 CG MET A 58 7.254 -4.248 -4.614 1.00 0.00 C ATOM 898 SD MET A 58 8.628 -3.183 -4.191 1.00 0.00 S ATOM 899 CE MET A 58 9.356 -2.991 -5.817 1.00 0.00 C ATOM 0 H MET A 58 7.091 -6.954 -3.905 1.00 0.00 H new ATOM 0 HA MET A 58 8.002 -5.043 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.483 -5.124 -3.808 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.035 -3.698 -2.951 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.641 -5.163 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.645 -3.755 -5.371 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.354 -3.430 -5.823 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.733 -3.495 -6.556 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.425 -1.931 -6.062 1.00 0.00 H new ATOM 909 N ALA A 59 5.119 -6.425 -1.319 1.00 0.00 N ATOM 910 CA ALA A 59 4.157 -6.654 -0.257 1.00 0.00 C ATOM 911 C ALA A 59 4.846 -7.188 0.986 1.00 0.00 C ATOM 912 O ALA A 59 4.661 -6.659 2.095 1.00 0.00 O ATOM 913 CB ALA A 59 3.078 -7.621 -0.728 1.00 0.00 C ATOM 0 H ALA A 59 4.912 -6.939 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 59 3.688 -5.703 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.361 -7.786 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.564 -7.200 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.536 -8.570 -1.006 1.00 0.00 H new ATOM 919 N GLN A 60 5.688 -8.188 0.787 1.00 0.00 N ATOM 920 CA GLN A 60 6.427 -8.811 1.875 1.00 0.00 C ATOM 921 C GLN A 60 7.331 -7.794 2.552 1.00 0.00 C ATOM 922 O GLN A 60 7.451 -7.772 3.771 1.00 0.00 O ATOM 923 CB GLN A 60 7.250 -9.969 1.359 1.00 0.00 C ATOM 924 CG GLN A 60 6.435 -11.034 0.659 1.00 0.00 C ATOM 925 CD GLN A 60 7.306 -12.141 0.120 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.456 -11.912 -0.247 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.785 -13.335 0.067 1.00 0.00 N ATOM 0 H GLN A 60 5.879 -8.591 -0.130 1.00 0.00 H new ATOM 0 HA GLN A 60 5.710 -9.187 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.003 -9.588 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.784 -10.423 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.707 -11.451 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.873 -10.583 -0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.826 -13.488 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.336 -14.117 -0.288 1.00 0.00 H new ATOM 936 N LEU A 61 7.945 -6.944 1.751 1.00 0.00 N ATOM 937 CA LEU A 61 8.791 -5.869 2.246 1.00 0.00 C ATOM 938 C LEU A 61 8.050 -4.956 3.227 1.00 0.00 C ATOM 939 O LEU A 61 8.581 -4.625 4.274 1.00 0.00 O ATOM 940 CB LEU A 61 9.395 -5.057 1.091 1.00 0.00 C ATOM 941 CG LEU A 61 10.829 -5.408 0.649 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.973 -6.873 0.282 1.00 0.00 C ATOM 943 CD2 LEU A 61 11.228 -4.536 -0.522 1.00 0.00 C ATOM 0 H LEU A 61 7.872 -6.978 0.734 1.00 0.00 H new ATOM 0 HA LEU A 61 9.608 -6.338 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.741 -5.164 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.378 -4.005 1.375 1.00 0.00 H new ATOM 0 HG LEU A 61 11.492 -5.221 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.000 -7.072 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.724 -7.490 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.298 -7.110 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.242 -4.786 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.542 -4.705 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.187 -3.488 -0.226 1.00 0.00 H new ATOM 955 N LEU A 62 6.819 -4.557 2.917 1.00 0.00 N ATOM 956 CA LEU A 62 6.098 -3.727 3.859 1.00 0.00 C ATOM 957 C LEU A 62 5.692 -4.518 5.099 1.00 0.00 C ATOM 958 O LEU A 62 5.827 -4.034 6.219 1.00 0.00 O ATOM 959 CB LEU A 62 4.854 -3.055 3.261 1.00 0.00 C ATOM 960 CG LEU A 62 5.030 -1.998 2.175 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.134 -1.023 2.481 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.151 -2.586 0.811 1.00 0.00 C ATOM 0 H LEU A 62 6.322 -4.786 2.056 1.00 0.00 H new ATOM 0 HA LEU A 62 6.797 -2.937 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.220 -3.842 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.303 -2.594 4.081 1.00 0.00 H new ATOM 0 HG LEU A 62 4.107 -1.418 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.211 -0.296 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.914 -0.506 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.078 -1.560 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.274 -1.787 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.017 -3.247 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.251 -3.155 0.579 1.00 0.00 H new ATOM 974 N ILE A 63 5.235 -5.742 4.895 1.00 0.00 N ATOM 975 CA ILE A 63 4.709 -6.566 5.988 1.00 0.00 C ATOM 976 C ILE A 63 5.840 -6.972 6.981 1.00 0.00 C ATOM 977 O ILE A 63 5.597 -7.168 8.177 1.00 0.00 O ATOM 978 CB ILE A 63 3.944 -7.819 5.399 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.617 -8.099 6.152 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.822 -9.077 5.356 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.770 -8.521 7.586 1.00 0.00 C ATOM 0 H ILE A 63 5.215 -6.195 3.981 1.00 0.00 H new ATOM 0 HA ILE A 63 3.992 -5.980 6.562 1.00 0.00 H new ATOM 0 HB ILE A 63 3.696 -7.561 4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.003 -7.199 6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.072 -8.877 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.248 -9.907 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.694 -8.891 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.148 -9.328 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.786 -8.692 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.353 -9.441 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.282 -7.737 8.143 1.00 0.00 H new ATOM 993 N THR A 64 7.057 -7.044 6.482 1.00 0.00 N ATOM 994 CA THR A 64 8.183 -7.423 7.300 1.00 0.00 C ATOM 995 C THR A 64 8.720 -6.231 8.111 1.00 0.00 C ATOM 996 O THR A 64 9.048 -6.372 9.290 1.00 0.00 O ATOM 997 CB THR A 64 9.311 -8.014 6.424 1.00 0.00 C ATOM 998 OG1 THR A 64 8.784 -9.110 5.648 1.00 0.00 O ATOM 999 CG2 THR A 64 10.470 -8.516 7.280 1.00 0.00 C ATOM 0 H THR A 64 7.289 -6.843 5.509 1.00 0.00 H new ATOM 0 HA THR A 64 7.838 -8.182 8.002 1.00 0.00 H new ATOM 0 HB THR A 64 9.684 -7.228 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.142 -8.767 4.992 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.248 -8.926 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.879 -7.689 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.113 -9.292 7.957 1.00 0.00 H new ATOM 1007 N HIS A 65 8.777 -5.067 7.498 1.00 0.00 N ATOM 1008 CA HIS A 65 9.357 -3.911 8.170 1.00 0.00 C ATOM 1009 C HIS A 65 8.335 -3.166 9.021 1.00 0.00 C ATOM 1010 O HIS A 65 8.628 -2.767 10.148 1.00 0.00 O ATOM 1011 CB HIS A 65 10.036 -2.948 7.176 1.00 0.00 C ATOM 1012 CG HIS A 65 11.242 -3.517 6.461 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.315 -4.296 5.354 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.548 -3.292 6.839 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.643 -4.548 5.048 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.344 -3.921 5.971 1.00 0.00 N flip ATOM 0 H HIS A 65 8.437 -4.892 6.552 1.00 0.00 H new ATOM 0 HA HIS A 65 10.124 -4.302 8.839 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.302 -2.641 6.431 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.341 -2.050 7.713 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.514 -4.644 4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.871 -2.709 7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.024 -5.135 4.225 1.00 0.00 H new ATOM 1024 N PHE A 66 7.166 -2.946 8.469 1.00 0.00 N ATOM 1025 CA PHE A 66 6.099 -2.236 9.157 1.00 0.00 C ATOM 1026 C PHE A 66 5.239 -3.161 10.020 1.00 0.00 C ATOM 1027 O PHE A 66 5.383 -3.195 11.245 1.00 0.00 O ATOM 1028 CB PHE A 66 5.249 -1.470 8.134 1.00 0.00 C ATOM 1029 CG PHE A 66 6.073 -0.523 7.319 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.749 -0.974 6.207 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.212 0.795 7.688 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.548 -0.142 5.484 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.007 1.641 6.957 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.677 1.162 5.854 1.00 0.00 C ATOM 0 H PHE A 66 6.921 -3.253 7.528 1.00 0.00 H new ATOM 0 HA PHE A 66 6.557 -1.526 9.845 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.751 -2.179 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.468 -0.916 8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.643 -2.005 5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.692 1.166 8.559 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.078 -0.515 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.107 2.677 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.308 1.824 5.279 1.00 0.00 H new ATOM 1044 N GLY A 67 4.386 -3.928 9.390 1.00 0.00 N ATOM 1045 CA GLY A 67 3.478 -4.787 10.112 1.00 0.00 C ATOM 1046 C GLY A 67 2.302 -5.114 9.249 1.00 0.00 C ATOM 1047 O GLY A 67 2.208 -4.568 8.183 1.00 0.00 O ATOM 0 H GLY A 67 4.300 -3.976 8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.988 -5.703 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.145 -4.295 11.026 1.00 0.00 H new ATOM 1051 N PRO A 68 1.370 -5.965 9.685 1.00 0.00 N ATOM 1052 CA PRO A 68 0.226 -6.372 8.848 1.00 0.00 C ATOM 1053 C PRO A 68 -0.715 -5.200 8.501 1.00 0.00 C ATOM 1054 O PRO A 68 -1.067 -4.994 7.333 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.486 -7.438 9.689 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.045 -7.183 11.096 1.00 0.00 C ATOM 1057 CD PRO A 68 1.344 -6.599 11.012 1.00 0.00 C ATOM 0 HA PRO A 68 0.552 -6.743 7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.569 -7.356 9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.213 -8.442 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.725 -6.494 11.597 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.043 -8.106 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.524 -5.875 11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.110 -7.369 11.104 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.082 -4.417 9.501 1.00 0.00 N ATOM 1066 CA GLU A 69 -1.949 -3.279 9.286 1.00 0.00 C ATOM 1067 C GLU A 69 -1.183 -2.112 8.731 1.00 0.00 C ATOM 1068 O GLU A 69 -1.636 -1.432 7.800 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.632 -2.880 10.574 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.695 -3.847 10.994 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.757 -3.981 9.943 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -5.620 -3.086 9.830 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.751 -4.978 9.201 1.00 0.00 O ATOM 0 H GLU A 69 -0.791 -4.551 10.469 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.706 -3.572 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.887 -2.801 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.075 -1.891 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.247 -4.822 11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.145 -3.512 11.928 1.00 0.00 H new ATOM 1080 N GLU A 70 0.001 -1.921 9.270 1.00 0.00 N ATOM 1081 CA GLU A 70 0.833 -0.804 8.921 1.00 0.00 C ATOM 1082 C GLU A 70 1.281 -0.882 7.457 1.00 0.00 C ATOM 1083 O GLU A 70 1.244 0.108 6.756 1.00 0.00 O ATOM 1084 CB GLU A 70 2.003 -0.725 9.890 1.00 0.00 C ATOM 1085 CG GLU A 70 2.745 0.600 9.895 1.00 0.00 C ATOM 1086 CD GLU A 70 3.674 0.714 11.079 1.00 0.00 C ATOM 1087 OE1 GLU A 70 3.174 0.848 12.216 1.00 0.00 O ATOM 1088 OE2 GLU A 70 4.905 0.673 10.914 1.00 0.00 O ATOM 0 H GLU A 70 0.411 -2.543 9.966 1.00 0.00 H new ATOM 0 HA GLU A 70 0.260 0.119 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.635 -0.922 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.710 -1.519 9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.317 0.701 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.027 1.420 9.916 1.00 0.00 H new ATOM 1095 N ALA A 71 1.638 -2.081 7.001 1.00 0.00 N ATOM 1096 CA ALA A 71 2.050 -2.315 5.601 1.00 0.00 C ATOM 1097 C ALA A 71 0.980 -1.879 4.627 1.00 0.00 C ATOM 1098 O ALA A 71 1.255 -1.153 3.666 1.00 0.00 O ATOM 1099 CB ALA A 71 2.324 -3.786 5.367 1.00 0.00 C ATOM 0 H ALA A 71 1.653 -2.920 7.581 1.00 0.00 H new ATOM 0 HA ALA A 71 2.953 -1.727 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.626 -3.940 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.123 -4.117 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.421 -4.361 5.571 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.231 -2.328 4.884 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.358 -2.018 4.045 1.00 0.00 C ATOM 1107 C TRP A 72 -1.636 -0.520 4.029 1.00 0.00 C ATOM 1108 O TRP A 72 -1.834 0.080 2.961 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.593 -2.846 4.474 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.885 -2.409 3.840 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.048 -2.133 4.489 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.130 -2.145 2.449 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -5.997 -1.722 3.595 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.458 -1.718 2.340 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.353 -2.223 1.293 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -6.023 -1.369 1.133 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.919 -1.879 0.092 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.243 -1.455 0.023 1.00 0.00 C ATOM 0 H TRP A 72 -0.457 -2.919 5.684 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.120 -2.299 3.019 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.417 -3.893 4.227 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.696 -2.787 5.558 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.200 -2.225 5.554 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.955 -1.460 3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.324 -2.548 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -7.049 -1.039 1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.330 -1.938 -0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.661 -1.188 -0.936 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.598 0.084 5.188 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.856 1.497 5.310 1.00 0.00 C ATOM 1131 C ARG A 73 -0.768 2.280 4.581 1.00 0.00 C ATOM 1132 O ARG A 73 -1.058 3.212 3.834 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.911 1.867 6.772 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.427 3.254 7.077 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.451 3.464 8.574 1.00 0.00 C ATOM 1136 NE ARG A 73 -3.218 2.402 9.268 1.00 0.00 N ATOM 1137 CZ ARG A 73 -2.840 1.800 10.410 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -1.674 2.109 10.979 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -3.627 0.876 10.963 1.00 0.00 N ATOM 0 H ARG A 73 -1.389 -0.385 6.069 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.815 1.746 4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.542 1.143 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.909 1.772 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.791 4.002 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.428 3.380 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.430 3.482 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.892 4.435 8.797 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.099 2.105 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.065 2.804 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.392 1.650 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.512 0.628 10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.344 0.417 11.829 1.00 0.00 H new ATOM 1153 N LEU A 74 0.472 1.852 4.769 1.00 0.00 N ATOM 1154 CA LEU A 74 1.626 2.443 4.113 1.00 0.00 C ATOM 1155 C LEU A 74 1.486 2.412 2.612 1.00 0.00 C ATOM 1156 O LEU A 74 1.704 3.411 1.969 1.00 0.00 O ATOM 1157 CB LEU A 74 2.934 1.753 4.547 1.00 0.00 C ATOM 1158 CG LEU A 74 3.791 2.466 5.616 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.427 3.717 5.044 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.972 2.818 6.852 1.00 0.00 C ATOM 0 H LEU A 74 0.706 1.076 5.388 1.00 0.00 H new ATOM 0 HA LEU A 74 1.672 3.486 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.683 0.761 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.551 1.611 3.660 1.00 0.00 H new ATOM 0 HG LEU A 74 4.576 1.772 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.026 4.205 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.065 3.448 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.647 4.399 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.610 3.318 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.154 3.481 6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.565 1.907 7.291 1.00 0.00 H new ATOM 1172 N ALA A 75 1.078 1.286 2.061 1.00 0.00 N ATOM 1173 CA ALA A 75 0.927 1.181 0.622 1.00 0.00 C ATOM 1174 C ALA A 75 -0.221 2.037 0.128 1.00 0.00 C ATOM 1175 O ALA A 75 -0.021 2.874 -0.751 1.00 0.00 O ATOM 1176 CB ALA A 75 0.742 -0.249 0.183 1.00 0.00 C ATOM 0 H ALA A 75 0.847 0.439 2.580 1.00 0.00 H new ATOM 0 HA ALA A 75 1.850 1.551 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.632 -0.286 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.611 -0.836 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.152 -0.661 0.652 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.410 1.892 0.739 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.596 2.607 0.260 1.00 0.00 C ATOM 1184 C LEU A 76 -2.396 4.120 0.349 1.00 0.00 C ATOM 1185 O LEU A 76 -2.616 4.843 -0.619 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.921 2.114 0.955 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.234 2.568 2.403 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.934 3.920 2.427 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.081 1.553 3.122 1.00 0.00 C ATOM 0 H LEU A 76 -1.570 1.296 1.551 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.723 2.366 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.755 2.426 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.907 1.024 0.949 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.277 2.661 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.138 4.206 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.293 4.670 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.873 3.854 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.283 1.900 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.022 1.421 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.551 0.601 3.164 1.00 0.00 H new ATOM 1201 N SER A 77 -1.872 4.567 1.468 1.00 0.00 N ATOM 1202 CA SER A 77 -1.655 5.970 1.714 1.00 0.00 C ATOM 1203 C SER A 77 -0.380 6.500 1.013 1.00 0.00 C ATOM 1204 O SER A 77 -0.050 7.664 1.134 1.00 0.00 O ATOM 1205 CB SER A 77 -1.638 6.220 3.232 1.00 0.00 C ATOM 1206 OG SER A 77 -2.928 6.036 3.816 1.00 0.00 O ATOM 0 H SER A 77 -1.583 3.961 2.236 1.00 0.00 H new ATOM 0 HA SER A 77 -2.478 6.535 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.926 5.543 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.292 7.234 3.429 1.00 0.00 H new ATOM 0 HG SER A 77 -2.877 6.202 4.781 1.00 0.00 H new ATOM 1212 N THR A 78 0.320 5.637 0.292 1.00 0.00 N ATOM 1213 CA THR A 78 1.449 6.059 -0.515 1.00 0.00 C ATOM 1214 C THR A 78 1.054 6.071 -1.996 1.00 0.00 C ATOM 1215 O THR A 78 1.620 6.831 -2.791 1.00 0.00 O ATOM 1216 CB THR A 78 2.707 5.183 -0.259 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.141 5.383 1.087 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.855 5.513 -1.205 1.00 0.00 C ATOM 0 H THR A 78 0.123 4.637 0.251 1.00 0.00 H new ATOM 0 HA THR A 78 1.720 7.073 -0.221 1.00 0.00 H new ATOM 0 HB THR A 78 2.427 4.144 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.550 4.895 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.707 4.871 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.537 5.348 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.143 6.556 -1.077 1.00 0.00 H new ATOM 1226 N PHE A 79 0.031 5.279 -2.349 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.470 5.233 -3.720 1.00 0.00 C ATOM 1228 C PHE A 79 -0.868 6.624 -4.168 1.00 0.00 C ATOM 1229 O PHE A 79 -0.451 7.092 -5.212 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.680 4.285 -3.867 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.413 2.838 -3.610 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.208 2.261 -3.956 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.385 2.046 -3.022 1.00 0.00 C ATOM 1234 CE1 PHE A 79 0.025 0.924 -3.711 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.158 0.707 -2.778 1.00 0.00 C ATOM 1236 CZ PHE A 79 -0.950 0.145 -3.122 1.00 0.00 C ATOM 0 H PHE A 79 -0.462 4.664 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 79 0.335 4.849 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.462 4.617 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.076 4.387 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.559 2.862 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.335 2.483 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.974 0.485 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.926 0.102 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.766 -0.902 -2.932 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.619 7.307 -3.336 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.080 8.647 -3.655 1.00 0.00 C ATOM 1248 C GLU A 80 -0.911 9.646 -3.765 1.00 0.00 C ATOM 1249 O GLU A 80 -0.958 10.585 -4.547 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.102 9.131 -2.633 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.637 9.097 -1.195 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.382 10.095 -0.353 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -4.535 10.450 -0.697 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -2.784 10.630 0.599 1.00 0.00 O ATOM 0 H GLU A 80 -1.927 6.959 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.563 8.596 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.386 10.153 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.000 8.520 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.781 8.096 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.568 9.308 -1.152 1.00 0.00 H new ATOM 1261 N ARG A 81 0.166 9.361 -3.056 1.00 0.00 N ATOM 1262 CA ARG A 81 1.316 10.258 -2.965 1.00 0.00 C ATOM 1263 C ARG A 81 2.146 10.213 -4.226 1.00 0.00 C ATOM 1264 O ARG A 81 2.908 11.128 -4.512 1.00 0.00 O ATOM 1265 CB ARG A 81 2.180 9.863 -1.781 1.00 0.00 C ATOM 1266 CG ARG A 81 1.411 9.803 -0.493 1.00 0.00 C ATOM 1267 CD ARG A 81 0.915 11.155 -0.053 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.132 11.032 0.961 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.029 11.327 2.250 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.152 11.625 2.795 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.121 11.275 3.001 1.00 0.00 N ATOM 0 H ARG A 81 0.273 8.498 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 81 0.943 11.274 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.631 8.890 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.996 10.578 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.562 9.129 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.046 9.382 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.745 11.737 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.529 11.701 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.036 10.683 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.993 11.628 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.213 11.850 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.014 11.013 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.067 11.497 3.995 1.00 0.00 H new ATOM 1285 N ILE A 82 2.002 9.141 -4.972 1.00 0.00 N ATOM 1286 CA ILE A 82 2.748 8.966 -6.201 1.00 0.00 C ATOM 1287 C ILE A 82 1.845 9.219 -7.407 1.00 0.00 C ATOM 1288 O ILE A 82 2.167 8.828 -8.534 1.00 0.00 O ATOM 1289 CB ILE A 82 3.399 7.555 -6.287 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.331 6.447 -6.318 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.348 7.358 -5.104 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.875 5.047 -6.498 1.00 0.00 C ATOM 0 H ILE A 82 1.371 8.371 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 82 3.558 9.696 -6.206 1.00 0.00 H new ATOM 0 HB ILE A 82 3.964 7.488 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.762 6.484 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.633 6.657 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.804 6.370 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.127 8.120 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.790 7.444 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.050 4.335 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.418 4.986 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.549 4.810 -5.675 1.00 0.00 H new ATOM 1304 N ASN A 83 0.725 9.911 -7.134 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.288 10.313 -8.139 1.00 0.00 C ATOM 1306 C ASN A 83 -1.104 9.097 -8.600 1.00 0.00 C ATOM 1307 O ASN A 83 -1.603 9.027 -9.727 1.00 0.00 O ATOM 1308 CB ASN A 83 0.361 11.088 -9.329 1.00 0.00 C ATOM 1309 CG ASN A 83 -0.636 11.860 -10.213 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -1.676 12.393 -9.629 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 -0.432 12.014 -11.422 1.00 0.00 N flip ATOM 0 H ASN A 83 0.489 10.215 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.983 11.008 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.093 11.791 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.906 10.379 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.386 11.590 -11.859 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.082 12.566 -11.983 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.272 8.165 -7.693 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.063 6.985 -7.916 1.00 0.00 C ATOM 1320 C ARG A 84 -3.186 6.910 -6.857 1.00 0.00 C ATOM 1321 O ARG A 84 -3.303 5.960 -6.068 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.151 5.729 -7.945 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.872 4.379 -8.039 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.906 4.316 -9.152 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.317 4.315 -10.484 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.765 3.584 -11.522 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.942 2.951 -11.454 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -2.071 3.552 -12.652 1.00 0.00 N ATOM 0 H ARG A 84 -0.854 8.209 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.550 7.029 -8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.472 5.816 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.537 5.729 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.134 3.593 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.362 4.171 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.509 3.417 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.581 5.167 -9.061 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.505 4.912 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.510 3.020 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.271 2.400 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.202 4.080 -12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.406 3.000 -13.441 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.034 7.905 -6.875 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.129 8.004 -5.939 1.00 0.00 C ATOM 1344 C LYS A 85 -6.205 7.021 -6.378 1.00 0.00 C ATOM 1345 O LYS A 85 -7.031 6.590 -5.593 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.648 9.446 -5.921 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.516 9.783 -4.736 1.00 0.00 C ATOM 1348 CD LYS A 85 -6.945 11.235 -4.764 1.00 0.00 C ATOM 1349 CE LYS A 85 -7.653 11.632 -3.479 1.00 0.00 C ATOM 1350 NZ LYS A 85 -6.732 11.662 -2.304 1.00 0.00 N ATOM 0 H LYS A 85 -3.986 8.675 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.814 7.756 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.796 10.126 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.216 9.626 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.397 9.141 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.971 9.580 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.072 11.871 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.608 11.403 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.106 12.615 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.464 10.930 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.205 12.128 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.478 10.689 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.870 12.189 -2.552 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.100 6.616 -7.635 1.00 0.00 N ATOM 1365 CA ASP A 86 -6.976 5.642 -8.274 1.00 0.00 C ATOM 1366 C ASP A 86 -6.995 4.313 -7.514 1.00 0.00 C ATOM 1367 O ASP A 86 -8.050 3.708 -7.301 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.495 5.422 -9.723 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.025 4.163 -10.377 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -6.406 3.094 -10.198 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -8.022 4.225 -11.112 1.00 0.00 O ATOM 0 H ASP A 86 -5.377 6.969 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.995 6.029 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.791 6.281 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.406 5.389 -9.730 1.00 0.00 H new ATOM 1376 N LEU A 87 -5.823 3.887 -7.083 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.659 2.616 -6.399 1.00 0.00 C ATOM 1378 C LEU A 87 -5.979 2.798 -4.932 1.00 0.00 C ATOM 1379 O LEU A 87 -6.507 1.905 -4.279 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.230 2.151 -6.581 1.00 0.00 C ATOM 1381 CG LEU A 87 -3.872 0.754 -6.166 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -4.744 -0.243 -6.886 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -2.426 0.517 -6.500 1.00 0.00 C ATOM 0 H LEU A 87 -4.956 4.412 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.334 1.866 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.979 2.258 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.586 2.836 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.031 0.631 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.474 -1.253 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.789 -0.055 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.599 -0.143 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.146 -0.494 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.276 0.638 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.806 1.236 -5.964 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.681 3.978 -4.451 1.00 0.00 N ATOM 1396 CA TRP A 88 -5.967 4.394 -3.096 1.00 0.00 C ATOM 1397 C TRP A 88 -7.482 4.296 -2.832 1.00 0.00 C ATOM 1398 O TRP A 88 -7.923 3.751 -1.813 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.470 5.830 -2.951 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.835 6.508 -1.672 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.200 6.409 -0.492 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.923 7.402 -1.465 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.819 7.192 0.448 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.887 7.808 -0.128 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.919 7.887 -2.288 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.823 8.691 0.405 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.841 8.752 -1.778 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.796 9.154 -0.440 1.00 0.00 C ATOM 0 H TRP A 88 -5.219 4.699 -5.005 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.468 3.754 -2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.384 5.832 -3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.864 6.418 -3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.327 5.800 -0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.527 7.296 1.420 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.967 7.585 -3.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.783 8.997 1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.621 9.134 -2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.541 9.841 -0.067 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.251 4.785 -3.795 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.722 4.745 -3.770 1.00 0.00 C ATOM 1421 C GLU A 89 -10.264 3.312 -3.772 1.00 0.00 C ATOM 1422 O GLU A 89 -11.420 3.072 -3.414 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.305 5.484 -4.973 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.033 6.970 -5.005 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.708 7.648 -6.162 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -10.177 7.619 -7.285 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -11.779 8.243 -5.966 1.00 0.00 O ATOM 0 H GLU A 89 -7.873 5.229 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.026 5.233 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.905 5.037 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.384 5.327 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.375 7.420 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.958 7.139 -5.065 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.455 2.374 -4.210 1.00 0.00 N ATOM 1435 CA ARG A 90 -9.860 0.977 -4.236 1.00 0.00 C ATOM 1436 C ARG A 90 -9.582 0.366 -2.878 1.00 0.00 C ATOM 1437 O ARG A 90 -10.166 -0.644 -2.507 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.083 0.185 -5.283 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.072 0.772 -6.672 1.00 0.00 C ATOM 1440 CD ARG A 90 -8.355 -0.152 -7.624 1.00 0.00 C ATOM 1441 NE ARG A 90 -7.852 0.526 -8.829 1.00 0.00 N ATOM 1442 CZ ARG A 90 -7.284 -0.117 -9.858 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -7.276 -1.447 -9.878 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -6.725 0.571 -10.838 1.00 0.00 N ATOM 0 H ARG A 90 -8.511 2.548 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.920 0.936 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.052 0.083 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.502 -0.820 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.094 0.935 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.581 1.745 -6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.519 -0.620 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.033 -0.952 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.941 1.541 -8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.701 -1.971 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.845 -1.943 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.726 1.591 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.292 0.082 -11.622 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.653 0.980 -2.167 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.288 0.543 -0.845 1.00 0.00 C ATOM 1460 C GLY A 91 -9.397 0.803 0.129 1.00 0.00 C ATOM 1461 O GLY A 91 -10.109 -0.118 0.531 1.00 0.00 O ATOM 0 H GLY A 91 -8.135 1.795 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.055 -0.522 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.386 1.062 -0.522 1.00 0.00 H new ATOM 1465 N GLN A 92 -9.582 2.048 0.483 1.00 0.00 N ATOM 1466 CA GLN A 92 -10.664 2.402 1.360 1.00 0.00 C ATOM 1467 C GLN A 92 -11.877 2.817 0.551 1.00 0.00 C ATOM 1468 O GLN A 92 -11.936 3.912 0.005 1.00 0.00 O ATOM 1469 CB GLN A 92 -10.266 3.437 2.436 1.00 0.00 C ATOM 1470 CG GLN A 92 -9.533 4.684 1.943 1.00 0.00 C ATOM 1471 CD GLN A 92 -9.239 5.671 3.077 1.00 0.00 C ATOM 1472 OE1 GLN A 92 -10.127 5.761 4.042 1.00 0.00 O flip ATOM 1473 NE2 GLN A 92 -8.225 6.373 3.064 1.00 0.00 N flip ATOM 0 H GLN A 92 -9.000 2.829 0.179 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.932 1.513 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.170 3.755 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.635 2.939 3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.597 4.389 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.134 5.179 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.552 6.283 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.059 7.044 3.814 1.00 0.00 H new ATOM 1482 N ARG A 93 -12.814 1.903 0.429 1.00 0.00 N ATOM 1483 CA ARG A 93 -14.008 2.133 -0.374 1.00 0.00 C ATOM 1484 C ARG A 93 -15.267 1.705 0.369 1.00 0.00 C ATOM 1485 O ARG A 93 -16.329 2.280 0.176 1.00 0.00 O ATOM 1486 CB ARG A 93 -13.946 1.397 -1.753 1.00 0.00 C ATOM 1487 CG ARG A 93 -14.087 -0.146 -1.720 1.00 0.00 C ATOM 1488 CD ARG A 93 -12.898 -0.834 -1.073 1.00 0.00 C ATOM 1489 NE ARG A 93 -13.097 -2.274 -0.871 1.00 0.00 N ATOM 1490 CZ ARG A 93 -12.111 -3.144 -0.609 1.00 0.00 C ATOM 1491 NH1 ARG A 93 -10.854 -2.737 -0.597 1.00 0.00 N ATOM 1492 NH2 ARG A 93 -12.397 -4.416 -0.353 1.00 0.00 N ATOM 0 H ARG A 93 -12.777 0.987 0.876 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.046 3.206 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.735 1.798 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.997 1.643 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.994 -0.411 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.205 -0.517 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.016 -0.680 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.695 -0.364 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.048 -2.637 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.633 -1.760 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.105 -3.400 -0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.367 -4.731 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.646 -5.077 -0.154 1.00 0.00 H new ATOM 1506 N GLU A 94 -15.136 0.722 1.240 1.00 0.00 N ATOM 1507 CA GLU A 94 -16.273 0.167 1.922 1.00 0.00 C ATOM 1508 C GLU A 94 -16.015 0.112 3.408 1.00 0.00 C ATOM 1509 O GLU A 94 -14.874 -0.144 3.832 1.00 0.00 O ATOM 1510 CB GLU A 94 -16.599 -1.233 1.365 1.00 0.00 C ATOM 1511 CG GLU A 94 -15.478 -2.256 1.507 1.00 0.00 C ATOM 1512 CD GLU A 94 -15.797 -3.568 0.838 1.00 0.00 C ATOM 1513 OE1 GLU A 94 -16.474 -4.417 1.443 1.00 0.00 O ATOM 1514 OE2 GLU A 94 -15.373 -3.778 -0.324 1.00 0.00 O ATOM 0 H GLU A 94 -14.244 0.294 1.488 1.00 0.00 H new ATOM 0 HA GLU A 94 -17.137 0.810 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -17.485 -1.613 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -16.853 -1.138 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.563 -1.848 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.284 -2.431 2.565 1.00 0.00 H new ATOM 1521 N ASP A 95 -17.062 0.406 4.173 1.00 0.00 N ATOM 1522 CA ASP A 95 -17.077 0.382 5.633 1.00 0.00 C ATOM 1523 C ASP A 95 -16.055 1.388 6.194 1.00 0.00 C ATOM 1524 O ASP A 95 -15.572 2.270 5.456 1.00 0.00 O ATOM 1525 CB ASP A 95 -16.859 -1.056 6.154 1.00 0.00 C ATOM 1526 CG ASP A 95 -17.420 -1.275 7.544 1.00 0.00 C ATOM 1527 OD1 ASP A 95 -18.445 -0.641 7.903 1.00 0.00 O ATOM 1528 OD2 ASP A 95 -16.865 -2.070 8.308 1.00 0.00 O ATOM 0 H ASP A 95 -17.961 0.679 3.776 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.057 0.696 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.325 -1.760 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.791 -1.276 6.161 1.00 0.00 H new ATOM 1533 N LEU A 96 -15.755 1.316 7.450 1.00 0.00 N ATOM 1534 CA LEU A 96 -14.859 2.283 8.055 1.00 0.00 C ATOM 1535 C LEU A 96 -14.127 1.659 9.224 1.00 0.00 C ATOM 1536 O LEU A 96 -14.618 0.723 9.824 1.00 0.00 O ATOM 1537 CB LEU A 96 -15.679 3.491 8.547 1.00 0.00 C ATOM 1538 CG LEU A 96 -14.893 4.675 9.132 1.00 0.00 C ATOM 1539 CD1 LEU A 96 -14.034 5.338 8.066 1.00 0.00 C ATOM 1540 CD2 LEU A 96 -15.834 5.683 9.775 1.00 0.00 C ATOM 0 H LEU A 96 -16.110 0.603 8.088 1.00 0.00 H new ATOM 0 HA LEU A 96 -14.127 2.607 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.275 3.859 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.378 3.140 9.306 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.229 4.290 9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.488 6.173 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.326 4.612 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.671 5.705 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.256 6.512 10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.531 6.060 9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.391 5.200 10.578 1.00 0.00 H new ATOM 1552 N VAL A 97 -12.951 2.162 9.524 1.00 0.00 N ATOM 1553 CA VAL A 97 -12.223 1.724 10.692 1.00 0.00 C ATOM 1554 C VAL A 97 -12.805 2.454 11.904 1.00 0.00 C ATOM 1555 O VAL A 97 -13.075 3.663 11.835 1.00 0.00 O ATOM 1556 CB VAL A 97 -10.687 1.990 10.557 1.00 0.00 C ATOM 1557 CG1 VAL A 97 -10.373 3.476 10.396 1.00 0.00 C ATOM 1558 CG2 VAL A 97 -9.926 1.394 11.732 1.00 0.00 C ATOM 0 H VAL A 97 -12.477 2.877 8.973 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.333 0.646 10.809 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.353 1.493 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.295 3.612 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -10.863 3.856 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -10.736 4.021 11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.861 1.593 11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.279 1.844 12.660 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.093 0.317 11.765 1.00 0.00 H new ATOM 1568 N ARG A 98 -13.063 1.738 12.965 1.00 0.00 N ATOM 1569 CA ARG A 98 -13.706 2.313 14.128 1.00 0.00 C ATOM 1570 C ARG A 98 -13.131 1.734 15.396 1.00 0.00 C ATOM 1571 O ARG A 98 -12.436 0.715 15.366 1.00 0.00 O ATOM 1572 CB ARG A 98 -15.211 2.023 14.075 1.00 0.00 C ATOM 1573 CG ARG A 98 -15.924 2.671 12.897 1.00 0.00 C ATOM 1574 CD ARG A 98 -17.202 1.948 12.557 1.00 0.00 C ATOM 1575 NE ARG A 98 -16.931 0.557 12.213 1.00 0.00 N ATOM 1576 CZ ARG A 98 -17.295 -0.044 11.097 1.00 0.00 C ATOM 1577 NH1 ARG A 98 -18.165 0.527 10.273 1.00 0.00 N ATOM 1578 NH2 ARG A 98 -16.818 -1.246 10.830 1.00 0.00 N ATOM 0 H ARG A 98 -12.838 0.747 13.053 1.00 0.00 H new ATOM 0 HA ARG A 98 -13.533 3.389 14.124 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -15.362 0.944 14.029 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -15.671 2.370 15.000 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -16.146 3.712 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.265 2.674 12.029 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -17.887 1.992 13.404 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -17.696 2.445 11.722 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.415 0.001 12.895 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -18.559 1.440 10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.439 0.053 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.177 -1.697 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.090 -1.723 9.971 1.00 0.00 H new ATOM 1592 N ASP A 99 -13.392 2.413 16.493 1.00 0.00 N ATOM 1593 CA ASP A 99 -13.018 1.949 17.822 1.00 0.00 C ATOM 1594 C ASP A 99 -14.226 1.976 18.729 1.00 0.00 C ATOM 1595 O ASP A 99 -14.109 1.823 19.936 1.00 0.00 O ATOM 1596 CB ASP A 99 -11.906 2.815 18.449 1.00 0.00 C ATOM 1597 CG ASP A 99 -10.534 2.581 17.877 1.00 0.00 C ATOM 1598 OD1 ASP A 99 -9.829 1.668 18.352 1.00 0.00 O ATOM 1599 OD2 ASP A 99 -10.113 3.327 16.964 1.00 0.00 O ATOM 0 H ASP A 99 -13.874 3.312 16.492 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.638 0.933 17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -12.165 3.866 18.320 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.876 2.624 19.522 1.00 0.00 H new ATOM 1604 N THR A 100 -15.397 2.169 18.153 1.00 0.00 N ATOM 1605 CA THR A 100 -16.596 2.255 18.940 1.00 0.00 C ATOM 1606 C THR A 100 -17.370 0.921 18.922 1.00 0.00 C ATOM 1607 O THR A 100 -17.389 0.200 19.920 1.00 0.00 O ATOM 1608 CB THR A 100 -17.478 3.447 18.476 1.00 0.00 C ATOM 1609 OG1 THR A 100 -16.714 4.675 18.576 1.00 0.00 O ATOM 1610 CG2 THR A 100 -18.734 3.574 19.327 1.00 0.00 C ATOM 0 H THR A 100 -15.536 2.268 17.147 1.00 0.00 H new ATOM 0 HA THR A 100 -16.313 2.445 19.975 1.00 0.00 H new ATOM 0 HB THR A 100 -17.778 3.265 17.444 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.267 5.429 18.282 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.328 4.418 18.975 1.00 0.00 H new ATOM 0 HG22 THR A 100 -19.321 2.659 19.248 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.453 3.737 20.368 1.00 0.00 H new ATOM 1618 N VAL A 101 -17.982 0.580 17.799 1.00 0.00 N ATOM 1619 CA VAL A 101 -18.741 -0.659 17.722 1.00 0.00 C ATOM 1620 C VAL A 101 -17.919 -1.740 17.029 1.00 0.00 C ATOM 1621 O VAL A 101 -17.462 -2.694 17.666 1.00 0.00 O ATOM 1622 CB VAL A 101 -20.101 -0.460 16.995 1.00 0.00 C ATOM 1623 CG1 VAL A 101 -20.919 -1.749 16.983 1.00 0.00 C ATOM 1624 CG2 VAL A 101 -20.883 0.666 17.652 1.00 0.00 C ATOM 0 H VAL A 101 -17.970 1.132 16.942 1.00 0.00 H new ATOM 0 HA VAL A 101 -18.959 -0.976 18.742 1.00 0.00 H new ATOM 0 HB VAL A 101 -19.897 -0.191 15.959 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -21.864 -1.576 16.467 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -20.361 -2.529 16.465 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -21.117 -2.064 18.008 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -21.834 0.798 17.136 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -21.069 0.418 18.697 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -20.308 1.590 17.595 1.00 0.00 H new ATOM 1634 N GLU A 102 -17.731 -1.586 15.744 1.00 0.00 N ATOM 1635 CA GLU A 102 -16.941 -2.514 14.977 1.00 0.00 C ATOM 1636 C GLU A 102 -15.622 -1.881 14.630 1.00 0.00 C ATOM 1637 O GLU A 102 -15.517 -1.233 13.567 1.00 0.00 O ATOM 1638 CB GLU A 102 -17.674 -2.961 13.708 1.00 0.00 C ATOM 1639 CG GLU A 102 -18.886 -3.841 13.955 1.00 0.00 C ATOM 1640 CD GLU A 102 -18.532 -5.117 14.679 1.00 0.00 C ATOM 1641 OE1 GLU A 102 -17.600 -5.829 14.246 1.00 0.00 O ATOM 1642 OE2 GLU A 102 -19.164 -5.427 15.710 1.00 0.00 O ATOM 1643 OXT GLU A 102 -14.697 -1.988 15.431 1.00 0.00 O ATOM 0 H GLU A 102 -18.120 -0.816 15.201 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.769 -3.404 15.582 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.990 -2.076 13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.974 -3.501 13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -19.621 -3.287 14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.355 -4.085 13.002 1.00 0.00 H new TER 1650 GLU A 102