USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -9.68! C(o=-23!,f=-26!) USER MOD Set 1.2: A 72 ASN : amide:sc= -13.3! C(o=-23!,f=-41!) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -160:sc= 0.0373 (180deg=0.00242) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0633 (180deg=0) USER MOD Single : A 2 SER OG : rot 58:sc= 1.22 USER MOD Single : A 3 SER OG : rot 24:sc= 0.00211 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 159:sc= -0.0923 (180deg=-0.521) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.96! C(o=-5!,f=-17!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.186 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -7.69! C(o=-7.7!,f=-15!) USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= -0.87 (180deg=-3.3!) USER MOD Single : A 48 SER OG : rot -41:sc= 0.672 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.08 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.57 USER MOD Single : A 73 SER OG : rot 160:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= -1.45 (180deg=-3.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.638 18.730 8.712 1.00 0.00 N ATOM 2 CA GLY A 1 -11.470 17.930 9.033 1.00 0.00 C ATOM 3 C GLY A 1 -11.328 16.724 8.126 1.00 0.00 C ATOM 4 O GLY A 1 -12.294 16.293 7.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.339 19.604 8.235 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.267 18.190 8.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.146 18.970 9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.576 18.549 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.535 17.597 10.069 1.00 0.00 H new ATOM 8 N SER A 2 -10.117 16.179 8.056 1.00 0.00 N ATOM 9 CA SER A 2 -9.849 15.019 7.215 1.00 0.00 C ATOM 10 C SER A 2 -8.446 14.474 7.471 1.00 0.00 C ATOM 11 O SER A 2 -7.512 15.233 7.729 1.00 0.00 O ATOM 12 CB SER A 2 -10.004 15.386 5.738 1.00 0.00 C ATOM 13 OG SER A 2 -11.351 15.252 5.317 1.00 0.00 O ATOM 0 H SER A 2 -9.307 16.523 8.572 1.00 0.00 H new ATOM 0 HA SER A 2 -10.573 14.244 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.670 16.411 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.365 14.744 5.132 1.00 0.00 H new ATOM 0 HG SER A 2 -11.924 15.825 5.868 1.00 0.00 H new ATOM 19 N SER A 3 -8.308 13.155 7.396 1.00 0.00 N ATOM 20 CA SER A 3 -7.023 12.507 7.623 1.00 0.00 C ATOM 21 C SER A 3 -6.842 11.314 6.689 1.00 0.00 C ATOM 22 O SER A 3 -7.786 10.879 6.030 1.00 0.00 O ATOM 23 CB SER A 3 -6.907 12.050 9.079 1.00 0.00 C ATOM 24 OG SER A 3 -6.370 13.077 9.894 1.00 0.00 O ATOM 0 H SER A 3 -9.071 12.514 7.180 1.00 0.00 H new ATOM 0 HA SER A 3 -6.238 13.233 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.890 11.761 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.272 11.166 9.137 1.00 0.00 H new ATOM 0 HG SER A 3 -6.542 13.948 9.479 1.00 0.00 H new ATOM 30 N GLY A 4 -5.620 10.790 6.637 1.00 0.00 N ATOM 31 CA GLY A 4 -5.338 9.653 5.781 1.00 0.00 C ATOM 32 C GLY A 4 -4.780 10.067 4.433 1.00 0.00 C ATOM 33 O GLY A 4 -3.703 10.656 4.353 1.00 0.00 O ATOM 0 H GLY A 4 -4.822 11.133 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.626 8.995 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.252 9.079 5.632 1.00 0.00 H new ATOM 37 N SER A 5 -5.516 9.756 3.370 1.00 0.00 N ATOM 38 CA SER A 5 -5.088 10.095 2.018 1.00 0.00 C ATOM 39 C SER A 5 -5.362 11.564 1.713 1.00 0.00 C ATOM 40 O SER A 5 -6.498 12.027 1.807 1.00 0.00 O ATOM 41 CB SER A 5 -5.801 9.208 0.997 1.00 0.00 C ATOM 42 OG SER A 5 -5.358 7.865 1.088 1.00 0.00 O ATOM 0 H SER A 5 -6.411 9.270 3.419 1.00 0.00 H new ATOM 0 HA SER A 5 -4.014 9.923 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.877 9.251 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.618 9.587 -0.009 1.00 0.00 H new ATOM 0 HG SER A 5 -5.831 7.319 0.426 1.00 0.00 H new ATOM 48 N SER A 6 -4.311 12.292 1.348 1.00 0.00 N ATOM 49 CA SER A 6 -4.438 13.710 1.032 1.00 0.00 C ATOM 50 C SER A 6 -4.283 13.949 -0.467 1.00 0.00 C ATOM 51 O SER A 6 -5.220 14.379 -1.138 1.00 0.00 O ATOM 52 CB SER A 6 -3.390 14.520 1.799 1.00 0.00 C ATOM 53 OG SER A 6 -3.411 15.882 1.409 1.00 0.00 O ATOM 0 H SER A 6 -3.364 11.924 1.264 1.00 0.00 H new ATOM 0 HA SER A 6 -5.433 14.036 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.578 14.442 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.400 14.102 1.618 1.00 0.00 H new ATOM 0 HG SER A 6 -2.734 16.378 1.915 1.00 0.00 H new ATOM 59 N GLY A 7 -3.092 13.666 -0.986 1.00 0.00 N ATOM 60 CA GLY A 7 -2.837 13.856 -2.402 1.00 0.00 C ATOM 61 C GLY A 7 -1.360 13.775 -2.740 1.00 0.00 C ATOM 62 O GLY A 7 -0.994 13.448 -3.868 1.00 0.00 O ATOM 0 H GLY A 7 -2.300 13.309 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.379 13.100 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.225 14.827 -2.711 1.00 0.00 H new ATOM 66 N MET A 8 -0.513 14.074 -1.761 1.00 0.00 N ATOM 67 CA MET A 8 0.930 14.033 -1.961 1.00 0.00 C ATOM 68 C MET A 8 1.474 12.629 -1.714 1.00 0.00 C ATOM 69 O MET A 8 2.686 12.420 -1.685 1.00 0.00 O ATOM 70 CB MET A 8 1.623 15.032 -1.033 1.00 0.00 C ATOM 71 CG MET A 8 1.354 14.779 0.442 1.00 0.00 C ATOM 72 SD MET A 8 1.955 16.113 1.496 1.00 0.00 S ATOM 73 CE MET A 8 0.828 17.431 1.051 1.00 0.00 C ATOM 0 H MET A 8 -0.801 14.347 -0.821 1.00 0.00 H new ATOM 0 HA MET A 8 1.136 14.306 -2.996 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.698 14.994 -1.210 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.294 16.040 -1.286 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.282 14.654 0.596 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.829 13.844 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.811 18.178 1.844 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.160 17.895 0.122 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.174 17.023 0.915 1.00 0.00 H new ATOM 83 N ALA A 9 0.569 11.672 -1.538 1.00 0.00 N ATOM 84 CA ALA A 9 0.960 10.288 -1.295 1.00 0.00 C ATOM 85 C ALA A 9 1.371 9.599 -2.592 1.00 0.00 C ATOM 86 O ALA A 9 0.523 9.188 -3.385 1.00 0.00 O ATOM 87 CB ALA A 9 -0.179 9.528 -0.629 1.00 0.00 C ATOM 0 H ALA A 9 -0.439 11.829 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 9 1.821 10.290 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.126 8.496 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.425 10.001 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.054 9.542 -1.278 1.00 0.00 H new ATOM 93 N LEU A 10 2.677 9.475 -2.801 1.00 0.00 N ATOM 94 CA LEU A 10 3.202 8.835 -4.003 1.00 0.00 C ATOM 95 C LEU A 10 3.175 7.316 -3.867 1.00 0.00 C ATOM 96 O LEU A 10 3.542 6.769 -2.826 1.00 0.00 O ATOM 97 CB LEU A 10 4.630 9.309 -4.274 1.00 0.00 C ATOM 98 CG LEU A 10 4.872 10.815 -4.157 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.248 11.178 -4.693 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.788 11.588 -4.894 1.00 0.00 C ATOM 0 H LEU A 10 3.392 9.809 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 10 2.567 9.117 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.298 8.799 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.912 8.993 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 10 4.832 11.089 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.402 12.253 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.012 10.652 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.318 10.889 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.976 12.658 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.795 11.309 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.815 11.351 -4.463 1.00 0.00 H new ATOM 112 N LEU A 11 2.740 6.641 -4.924 1.00 0.00 N ATOM 113 CA LEU A 11 2.667 5.184 -4.924 1.00 0.00 C ATOM 114 C LEU A 11 4.040 4.570 -5.185 1.00 0.00 C ATOM 115 O LEU A 11 4.665 4.837 -6.211 1.00 0.00 O ATOM 116 CB LEU A 11 1.672 4.703 -5.982 1.00 0.00 C ATOM 117 CG LEU A 11 1.597 3.191 -6.196 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.832 2.454 -4.886 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.255 2.802 -6.795 1.00 0.00 C ATOM 0 H LEU A 11 2.432 7.079 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 11 2.326 4.862 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.680 5.060 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.928 5.172 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 11 2.381 2.904 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.775 1.379 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.818 2.707 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.071 2.747 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.221 1.722 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.546 3.103 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.127 3.301 -7.755 1.00 0.00 H new ATOM 131 N CYS A 12 4.500 3.745 -4.252 1.00 0.00 N ATOM 132 CA CYS A 12 5.797 3.091 -4.380 1.00 0.00 C ATOM 133 C CYS A 12 5.714 1.903 -5.335 1.00 0.00 C ATOM 134 O CYS A 12 4.793 1.090 -5.253 1.00 0.00 O ATOM 135 CB CYS A 12 6.294 2.625 -3.011 1.00 0.00 C ATOM 136 SG CYS A 12 8.094 2.354 -2.926 1.00 0.00 S ATOM 0 H CYS A 12 3.994 3.513 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 12 6.503 3.815 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.013 3.366 -2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.785 1.698 -2.748 1.00 0.00 H new ATOM 141 N TYR A 13 6.683 1.810 -6.238 1.00 0.00 N ATOM 142 CA TYR A 13 6.720 0.723 -7.210 1.00 0.00 C ATOM 143 C TYR A 13 7.893 -0.213 -6.936 1.00 0.00 C ATOM 144 O TYR A 13 8.226 -1.067 -7.757 1.00 0.00 O ATOM 145 CB TYR A 13 6.821 1.283 -8.629 1.00 0.00 C ATOM 146 CG TYR A 13 5.589 2.041 -9.070 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.465 1.370 -9.535 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.549 3.429 -9.021 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.339 2.058 -9.939 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.426 4.126 -9.422 1.00 0.00 C ATOM 151 CZ TYR A 13 3.323 3.436 -9.881 1.00 0.00 C ATOM 152 OH TYR A 13 2.202 4.126 -10.281 1.00 0.00 O ATOM 0 H TYR A 13 7.453 2.474 -6.318 1.00 0.00 H new ATOM 0 HA TYR A 13 5.795 0.154 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.685 1.945 -8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.000 0.462 -9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.473 0.291 -9.581 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.411 3.972 -8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.474 1.520 -10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.411 5.205 -9.377 1.00 0.00 H new ATOM 0 HH TYR A 13 2.355 5.088 -10.176 1.00 0.00 H new ATOM 162 N ASN A 14 8.517 -0.045 -5.774 1.00 0.00 N ATOM 163 CA ASN A 14 9.655 -0.875 -5.390 1.00 0.00 C ATOM 164 C ASN A 14 9.189 -2.249 -4.917 1.00 0.00 C ATOM 165 O ASN A 14 8.346 -2.358 -4.026 1.00 0.00 O ATOM 166 CB ASN A 14 10.462 -0.189 -4.286 1.00 0.00 C ATOM 167 CG ASN A 14 11.226 1.019 -4.794 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.745 1.015 -5.910 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.296 2.061 -3.974 1.00 0.00 N ATOM 0 H ASN A 14 8.255 0.657 -5.082 1.00 0.00 H new ATOM 0 HA ASN A 14 10.290 -1.008 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.789 0.120 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.163 -0.904 -3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.795 2.903 -4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.850 2.020 -3.057 1.00 0.00 H new ATOM 176 N ARG A 15 9.745 -3.295 -5.520 1.00 0.00 N ATOM 177 CA ARG A 15 9.387 -4.662 -5.161 1.00 0.00 C ATOM 178 C ARG A 15 9.408 -4.850 -3.647 1.00 0.00 C ATOM 179 O ARG A 15 10.375 -4.484 -2.979 1.00 0.00 O ATOM 180 CB ARG A 15 10.347 -5.653 -5.821 1.00 0.00 C ATOM 181 CG ARG A 15 10.714 -5.286 -7.250 1.00 0.00 C ATOM 182 CD ARG A 15 11.250 -6.487 -8.014 1.00 0.00 C ATOM 183 NE ARG A 15 11.400 -6.206 -9.439 1.00 0.00 N ATOM 184 CZ ARG A 15 12.413 -5.514 -9.949 1.00 0.00 C ATOM 185 NH1 ARG A 15 13.361 -5.035 -9.154 1.00 0.00 N ATOM 186 NH2 ARG A 15 12.480 -5.300 -11.257 1.00 0.00 N ATOM 0 H ARG A 15 10.445 -3.222 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 15 8.375 -4.852 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.258 -5.715 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.894 -6.644 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.837 -4.890 -7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.463 -4.494 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.214 -6.780 -7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.575 -7.332 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 15 10.688 -6.560 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.313 -5.198 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.137 -4.504 -9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.753 -5.667 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.258 -4.769 -11.648 1.00 0.00 H new ATOM 200 N GLY A 16 8.334 -5.422 -3.111 1.00 0.00 N ATOM 201 CA GLY A 16 8.248 -5.648 -1.680 1.00 0.00 C ATOM 202 C GLY A 16 7.453 -4.571 -0.970 1.00 0.00 C ATOM 203 O GLY A 16 7.007 -4.763 0.161 1.00 0.00 O ATOM 0 H GLY A 16 7.521 -5.733 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.786 -6.618 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.253 -5.689 -1.261 1.00 0.00 H new ATOM 207 N CYS A 17 7.278 -3.433 -1.634 1.00 0.00 N ATOM 208 CA CYS A 17 6.533 -2.319 -1.059 1.00 0.00 C ATOM 209 C CYS A 17 5.182 -2.152 -1.751 1.00 0.00 C ATOM 210 O CYS A 17 4.135 -2.438 -1.172 1.00 0.00 O ATOM 211 CB CYS A 17 7.340 -1.025 -1.172 1.00 0.00 C ATOM 212 SG CYS A 17 7.038 0.161 0.177 1.00 0.00 S ATOM 0 H CYS A 17 7.642 -3.258 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 17 6.357 -2.538 -0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.401 -1.272 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.106 -0.545 -2.122 1.00 0.00 H new ATOM 217 N GLY A 18 5.217 -1.687 -2.997 1.00 0.00 N ATOM 218 CA GLY A 18 3.991 -1.489 -3.748 1.00 0.00 C ATOM 219 C GLY A 18 2.948 -0.716 -2.965 1.00 0.00 C ATOM 220 O GLY A 18 1.766 -0.740 -3.304 1.00 0.00 O ATOM 0 H GLY A 18 6.071 -1.444 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.217 -0.955 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.582 -2.459 -4.032 1.00 0.00 H new ATOM 224 N GLN A 19 3.389 -0.029 -1.916 1.00 0.00 N ATOM 225 CA GLN A 19 2.483 0.753 -1.081 1.00 0.00 C ATOM 226 C GLN A 19 2.707 2.247 -1.288 1.00 0.00 C ATOM 227 O GLN A 19 3.677 2.657 -1.927 1.00 0.00 O ATOM 228 CB GLN A 19 2.679 0.395 0.393 1.00 0.00 C ATOM 229 CG GLN A 19 2.274 -1.031 0.731 1.00 0.00 C ATOM 230 CD GLN A 19 0.908 -1.113 1.379 1.00 0.00 C ATOM 231 OE1 GLN A 19 0.703 -0.621 2.490 1.00 0.00 O ATOM 232 NE2 GLN A 19 -0.040 -1.736 0.688 1.00 0.00 N ATOM 0 H GLN A 19 4.366 0.002 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 19 1.461 0.513 -1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.727 0.539 0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.098 1.084 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.276 -1.630 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.016 -1.466 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.172 -2.129 -0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.980 -1.821 1.074 1.00 0.00 H new ATOM 241 N ARG A 20 1.806 3.057 -0.744 1.00 0.00 N ATOM 242 CA ARG A 20 1.903 4.506 -0.870 1.00 0.00 C ATOM 243 C ARG A 20 2.891 5.074 0.146 1.00 0.00 C ATOM 244 O ARG A 20 3.394 4.353 1.008 1.00 0.00 O ATOM 245 CB ARG A 20 0.530 5.150 -0.677 1.00 0.00 C ATOM 246 CG ARG A 20 -0.467 4.799 -1.770 1.00 0.00 C ATOM 247 CD ARG A 20 -0.391 5.782 -2.929 1.00 0.00 C ATOM 248 NE ARG A 20 -1.674 5.918 -3.615 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.888 6.775 -4.607 1.00 0.00 C ATOM 250 NH1 ARG A 20 -0.912 7.567 -5.026 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.084 6.840 -5.181 1.00 0.00 N ATOM 0 H ARG A 20 0.999 2.734 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 20 2.265 4.735 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.125 4.840 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.648 6.233 -0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.270 3.790 -2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.476 4.798 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.073 6.756 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.366 5.448 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.447 5.323 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.007 7.520 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.080 8.224 -5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.837 6.232 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.249 7.498 -5.943 1.00 0.00 H new ATOM 265 N PHE A 21 3.162 6.370 0.038 1.00 0.00 N ATOM 266 CA PHE A 21 4.090 7.035 0.945 1.00 0.00 C ATOM 267 C PHE A 21 4.066 8.546 0.736 1.00 0.00 C ATOM 268 O PHE A 21 3.570 9.036 -0.278 1.00 0.00 O ATOM 269 CB PHE A 21 5.509 6.502 0.738 1.00 0.00 C ATOM 270 CG PHE A 21 6.141 6.962 -0.545 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.946 6.255 -1.721 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.929 8.101 -0.576 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.526 6.675 -2.902 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.511 8.527 -1.755 1.00 0.00 C ATOM 275 CZ PHE A 21 7.309 7.813 -2.920 1.00 0.00 C ATOM 0 H PHE A 21 2.752 6.981 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 21 3.775 6.823 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.133 6.817 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.485 5.412 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.334 5.365 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.090 8.663 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.367 6.114 -3.811 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.123 9.417 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.762 8.144 -3.843 1.00 0.00 H new ATOM 285 N ASP A 22 4.606 9.280 1.704 1.00 0.00 N ATOM 286 CA ASP A 22 4.648 10.735 1.627 1.00 0.00 C ATOM 287 C ASP A 22 6.080 11.229 1.450 1.00 0.00 C ATOM 288 O ASP A 22 6.978 10.892 2.221 1.00 0.00 O ATOM 289 CB ASP A 22 4.035 11.352 2.885 1.00 0.00 C ATOM 290 CG ASP A 22 2.650 10.808 3.180 1.00 0.00 C ATOM 291 OD1 ASP A 22 1.686 11.250 2.520 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.530 9.942 4.072 1.00 0.00 O ATOM 0 H ASP A 22 5.020 8.890 2.551 1.00 0.00 H new ATOM 0 HA ASP A 22 4.066 11.045 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.687 11.158 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.980 12.434 2.766 1.00 0.00 H new ATOM 297 N PRO A 23 6.300 12.047 0.410 1.00 0.00 N ATOM 298 CA PRO A 23 7.622 12.605 0.107 1.00 0.00 C ATOM 299 C PRO A 23 8.066 13.636 1.138 1.00 0.00 C ATOM 300 O PRO A 23 9.240 13.696 1.503 1.00 0.00 O ATOM 301 CB PRO A 23 7.424 13.266 -1.259 1.00 0.00 C ATOM 302 CG PRO A 23 5.969 13.582 -1.319 1.00 0.00 C ATOM 303 CD PRO A 23 5.275 12.491 -0.550 1.00 0.00 C ATOM 0 HA PRO A 23 8.399 11.840 0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.029 14.168 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.718 12.598 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.764 14.559 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.619 13.615 -2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.383 12.861 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.957 11.678 -1.203 1.00 0.00 H new ATOM 311 N GLU A 24 7.120 14.446 1.604 1.00 0.00 N ATOM 312 CA GLU A 24 7.417 15.476 2.593 1.00 0.00 C ATOM 313 C GLU A 24 8.120 14.877 3.808 1.00 0.00 C ATOM 314 O GLU A 24 8.720 15.594 4.609 1.00 0.00 O ATOM 315 CB GLU A 24 6.129 16.179 3.031 1.00 0.00 C ATOM 316 CG GLU A 24 4.920 15.260 3.080 1.00 0.00 C ATOM 317 CD GLU A 24 3.884 15.715 4.088 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.955 16.880 4.530 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.000 14.903 4.436 1.00 0.00 O ATOM 0 H GLU A 24 6.143 14.409 1.313 1.00 0.00 H new ATOM 0 HA GLU A 24 8.083 16.205 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.282 16.617 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.922 17.001 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.464 15.213 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.246 14.250 3.329 1.00 0.00 H new ATOM 326 N THR A 25 8.042 13.556 3.938 1.00 0.00 N ATOM 327 CA THR A 25 8.668 12.860 5.055 1.00 0.00 C ATOM 328 C THR A 25 9.580 11.741 4.563 1.00 0.00 C ATOM 329 O THR A 25 10.526 11.354 5.246 1.00 0.00 O ATOM 330 CB THR A 25 7.615 12.266 6.009 1.00 0.00 C ATOM 331 OG1 THR A 25 8.122 11.074 6.619 1.00 0.00 O ATOM 332 CG2 THR A 25 6.326 11.952 5.265 1.00 0.00 C ATOM 0 H THR A 25 7.551 12.947 3.283 1.00 0.00 H new ATOM 0 HA THR A 25 9.261 13.598 5.595 1.00 0.00 H new ATOM 0 HB THR A 25 7.400 13.005 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.447 10.704 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.598 11.534 5.960 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.926 12.867 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.529 11.230 4.474 1.00 0.00 H new ATOM 340 N ASN A 26 9.287 11.226 3.373 1.00 0.00 N ATOM 341 CA ASN A 26 10.081 10.151 2.790 1.00 0.00 C ATOM 342 C ASN A 26 11.552 10.294 3.169 1.00 0.00 C ATOM 343 O ASN A 26 12.098 11.397 3.173 1.00 0.00 O ATOM 344 CB ASN A 26 9.934 10.148 1.267 1.00 0.00 C ATOM 345 CG ASN A 26 10.894 9.186 0.595 1.00 0.00 C ATOM 346 OD1 ASN A 26 12.069 9.112 0.955 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.398 8.444 -0.388 1.00 0.00 N ATOM 0 H ASN A 26 8.506 11.536 2.794 1.00 0.00 H new ATOM 0 HA ASN A 26 9.712 9.205 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.911 9.879 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.107 11.155 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.997 7.780 -0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.418 8.538 -0.653 1.00 0.00 H new ATOM 354 N SER A 27 12.188 9.170 3.486 1.00 0.00 N ATOM 355 CA SER A 27 13.594 9.170 3.870 1.00 0.00 C ATOM 356 C SER A 27 14.297 7.917 3.356 1.00 0.00 C ATOM 357 O SER A 27 13.664 7.022 2.797 1.00 0.00 O ATOM 358 CB SER A 27 13.730 9.257 5.392 1.00 0.00 C ATOM 359 OG SER A 27 12.863 10.243 5.925 1.00 0.00 O ATOM 0 H SER A 27 11.751 8.248 3.484 1.00 0.00 H new ATOM 0 HA SER A 27 14.068 10.042 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.502 8.288 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.761 9.494 5.655 1.00 0.00 H new ATOM 0 HG SER A 27 12.967 10.278 6.899 1.00 0.00 H new ATOM 365 N ASP A 28 15.611 7.862 3.551 1.00 0.00 N ATOM 366 CA ASP A 28 16.402 6.719 3.109 1.00 0.00 C ATOM 367 C ASP A 28 16.139 5.502 3.991 1.00 0.00 C ATOM 368 O ASP A 28 16.667 4.418 3.744 1.00 0.00 O ATOM 369 CB ASP A 28 17.892 7.065 3.127 1.00 0.00 C ATOM 370 CG ASP A 28 18.365 7.653 1.813 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.166 7.002 0.766 1.00 0.00 O ATOM 372 OD2 ASP A 28 18.938 8.763 1.831 1.00 0.00 O ATOM 0 H ASP A 28 16.150 8.595 4.012 1.00 0.00 H new ATOM 0 HA ASP A 28 16.106 6.476 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.088 7.775 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.468 6.166 3.348 1.00 0.00 H new ATOM 377 N ASP A 29 15.318 5.690 5.019 1.00 0.00 N ATOM 378 CA ASP A 29 14.986 4.608 5.938 1.00 0.00 C ATOM 379 C ASP A 29 13.486 4.576 6.219 1.00 0.00 C ATOM 380 O ASP A 29 13.059 4.284 7.336 1.00 0.00 O ATOM 381 CB ASP A 29 15.759 4.765 7.248 1.00 0.00 C ATOM 382 CG ASP A 29 15.318 5.982 8.037 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.243 7.079 7.444 1.00 0.00 O ATOM 384 OD2 ASP A 29 15.049 5.838 9.248 1.00 0.00 O ATOM 0 H ASP A 29 14.871 6.581 5.236 1.00 0.00 H new ATOM 0 HA ASP A 29 15.271 3.666 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.622 3.871 7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.824 4.843 7.031 1.00 0.00 H new ATOM 389 N ALA A 30 12.691 4.880 5.198 1.00 0.00 N ATOM 390 CA ALA A 30 11.240 4.885 5.335 1.00 0.00 C ATOM 391 C ALA A 30 10.594 3.903 4.363 1.00 0.00 C ATOM 392 O ALA A 30 9.412 3.577 4.488 1.00 0.00 O ATOM 393 CB ALA A 30 10.694 6.288 5.112 1.00 0.00 C ATOM 0 H ALA A 30 13.028 5.126 4.267 1.00 0.00 H new ATOM 0 HA ALA A 30 10.994 4.568 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.609 6.277 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.123 6.967 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.958 6.626 4.110 1.00 0.00 H new ATOM 399 N CYS A 31 11.375 3.435 3.395 1.00 0.00 N ATOM 400 CA CYS A 31 10.878 2.491 2.402 1.00 0.00 C ATOM 401 C CYS A 31 11.625 1.163 2.493 1.00 0.00 C ATOM 402 O CYS A 31 12.851 1.118 2.393 1.00 0.00 O ATOM 403 CB CYS A 31 11.024 3.075 0.995 1.00 0.00 C ATOM 404 SG CYS A 31 10.542 1.931 -0.339 1.00 0.00 S ATOM 0 H CYS A 31 12.354 3.694 3.277 1.00 0.00 H new ATOM 0 HA CYS A 31 9.823 2.309 2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.416 3.977 0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.061 3.376 0.844 1.00 0.00 H new ATOM 409 N THR A 32 10.875 0.081 2.683 1.00 0.00 N ATOM 410 CA THR A 32 11.465 -1.248 2.789 1.00 0.00 C ATOM 411 C THR A 32 11.108 -2.105 1.579 1.00 0.00 C ATOM 412 O THR A 32 10.042 -2.716 1.532 1.00 0.00 O ATOM 413 CB THR A 32 11.000 -1.968 4.069 1.00 0.00 C ATOM 414 OG1 THR A 32 10.740 -1.012 5.103 1.00 0.00 O ATOM 415 CG2 THR A 32 12.049 -2.963 4.542 1.00 0.00 C ATOM 0 H THR A 32 9.859 0.099 2.767 1.00 0.00 H new ATOM 0 HA THR A 32 12.546 -1.113 2.829 1.00 0.00 H new ATOM 0 HB THR A 32 10.084 -2.512 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.443 -1.478 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.698 -3.459 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.222 -3.707 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.980 -2.437 4.754 1.00 0.00 H new ATOM 423 N TYR A 33 12.010 -2.145 0.604 1.00 0.00 N ATOM 424 CA TYR A 33 11.789 -2.926 -0.608 1.00 0.00 C ATOM 425 C TYR A 33 12.917 -3.933 -0.819 1.00 0.00 C ATOM 426 O TYR A 33 13.811 -4.065 0.017 1.00 0.00 O ATOM 427 CB TYR A 33 11.681 -2.003 -1.822 1.00 0.00 C ATOM 428 CG TYR A 33 12.938 -1.206 -2.092 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.220 -0.053 -1.371 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.842 -1.607 -3.067 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.368 0.679 -1.614 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.993 -0.883 -3.316 1.00 0.00 C ATOM 433 CZ TYR A 33 15.250 0.259 -2.587 1.00 0.00 C ATOM 434 OH TYR A 33 16.393 0.984 -2.833 1.00 0.00 O ATOM 0 H TYR A 33 12.900 -1.647 0.629 1.00 0.00 H new ATOM 0 HA TYR A 33 10.854 -3.473 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.444 -2.601 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.850 -1.314 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.531 0.278 -0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.642 -2.500 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.572 1.574 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.687 -1.210 -4.077 1.00 0.00 H new ATOM 0 HH TYR A 33 16.907 0.553 -3.547 1.00 0.00 H new ATOM 444 N HIS A 34 12.866 -4.640 -1.943 1.00 0.00 N ATOM 445 CA HIS A 34 13.882 -5.635 -2.266 1.00 0.00 C ATOM 446 C HIS A 34 14.627 -5.255 -3.542 1.00 0.00 C ATOM 447 O HIS A 34 14.090 -5.326 -4.648 1.00 0.00 O ATOM 448 CB HIS A 34 13.243 -7.015 -2.427 1.00 0.00 C ATOM 449 CG HIS A 34 12.656 -7.553 -1.159 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.424 -8.024 -0.114 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.368 -7.693 -0.769 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.632 -8.432 0.862 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.379 -8.241 0.490 1.00 0.00 N ATOM 0 H HIS A 34 12.132 -4.543 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 34 14.597 -5.668 -1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.461 -6.959 -3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.994 -7.714 -2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.493 -7.424 -1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.954 -8.851 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.554 -8.464 1.047 1.00 0.00 H new ATOM 461 N PRO A 35 15.894 -4.841 -3.388 1.00 0.00 N ATOM 462 CA PRO A 35 16.740 -4.441 -4.517 1.00 0.00 C ATOM 463 C PRO A 35 17.131 -5.624 -5.396 1.00 0.00 C ATOM 464 O PRO A 35 17.876 -5.472 -6.362 1.00 0.00 O ATOM 465 CB PRO A 35 17.976 -3.846 -3.840 1.00 0.00 C ATOM 466 CG PRO A 35 18.028 -4.500 -2.502 1.00 0.00 C ATOM 467 CD PRO A 35 16.598 -4.731 -2.099 1.00 0.00 C ATOM 0 HA PRO A 35 16.228 -3.748 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.879 -4.050 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.894 -2.763 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.577 -5.440 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.540 -3.867 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.490 -5.637 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.211 -3.907 -1.499 1.00 0.00 H new ATOM 475 N GLY A 36 16.620 -6.804 -5.054 1.00 0.00 N ATOM 476 CA GLY A 36 16.927 -7.996 -5.822 1.00 0.00 C ATOM 477 C GLY A 36 15.809 -8.379 -6.770 1.00 0.00 C ATOM 478 O GLY A 36 15.070 -7.519 -7.251 1.00 0.00 O ATOM 0 H GLY A 36 15.999 -6.955 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.842 -7.832 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.120 -8.824 -5.140 1.00 0.00 H new ATOM 482 N VAL A 37 15.681 -9.675 -7.039 1.00 0.00 N ATOM 483 CA VAL A 37 14.643 -10.170 -7.936 1.00 0.00 C ATOM 484 C VAL A 37 13.986 -11.425 -7.374 1.00 0.00 C ATOM 485 O VAL A 37 14.573 -12.163 -6.583 1.00 0.00 O ATOM 486 CB VAL A 37 15.212 -10.483 -9.333 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.120 -9.261 -10.233 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.649 -10.969 -9.226 1.00 0.00 C ATOM 0 H VAL A 37 16.283 -10.400 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 37 13.897 -9.381 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 37 14.616 -11.279 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.527 -9.501 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.077 -8.962 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.691 -8.442 -9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.035 -11.185 -10.222 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.261 -10.197 -8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.683 -11.874 -8.619 1.00 0.00 H new ATOM 498 N PRO A 38 12.736 -11.676 -7.793 1.00 0.00 N ATOM 499 CA PRO A 38 11.970 -12.843 -7.345 1.00 0.00 C ATOM 500 C PRO A 38 12.524 -14.149 -7.904 1.00 0.00 C ATOM 501 O PRO A 38 12.543 -14.358 -9.117 1.00 0.00 O ATOM 502 CB PRO A 38 10.566 -12.579 -7.894 1.00 0.00 C ATOM 503 CG PRO A 38 10.781 -11.691 -9.071 1.00 0.00 C ATOM 504 CD PRO A 38 11.974 -10.840 -8.735 1.00 0.00 C ATOM 0 HA PRO A 38 12.003 -12.961 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.073 -13.507 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.932 -12.100 -7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.960 -12.276 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.902 -11.074 -9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.559 -10.600 -9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.678 -9.893 -8.283 1.00 0.00 H new ATOM 512 N VAL A 39 12.973 -15.026 -7.012 1.00 0.00 N ATOM 513 CA VAL A 39 13.526 -16.313 -7.416 1.00 0.00 C ATOM 514 C VAL A 39 12.694 -17.466 -6.869 1.00 0.00 C ATOM 515 O VAL A 39 12.023 -17.330 -5.845 1.00 0.00 O ATOM 516 CB VAL A 39 14.983 -16.474 -6.939 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.163 -15.856 -5.560 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.380 -17.942 -6.930 1.00 0.00 C ATOM 0 H VAL A 39 12.965 -14.869 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 39 13.503 -16.338 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 39 15.637 -15.949 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.197 -15.979 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.920 -14.794 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.501 -16.352 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.411 -18.038 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.724 -18.492 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.290 -18.349 -7.937 1.00 0.00 H new ATOM 528 N PHE A 40 12.740 -18.602 -7.557 1.00 0.00 N ATOM 529 CA PHE A 40 11.990 -19.780 -7.140 1.00 0.00 C ATOM 530 C PHE A 40 12.841 -21.040 -7.261 1.00 0.00 C ATOM 531 O PHE A 40 12.942 -21.633 -8.336 1.00 0.00 O ATOM 532 CB PHE A 40 10.719 -19.926 -7.981 1.00 0.00 C ATOM 533 CG PHE A 40 10.178 -18.617 -8.482 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.786 -17.629 -7.594 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.064 -18.375 -9.841 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.287 -16.425 -8.052 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.566 -17.172 -10.306 1.00 0.00 C ATOM 538 CZ PHE A 40 9.179 -16.195 -9.410 1.00 0.00 C ATOM 0 H PHE A 40 13.289 -18.731 -8.407 1.00 0.00 H new ATOM 0 HA PHE A 40 11.713 -19.651 -6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.929 -20.573 -8.833 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.953 -20.422 -7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.871 -17.802 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.368 -19.135 -10.546 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.982 -15.664 -7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.480 -16.997 -11.368 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.793 -15.253 -9.770 1.00 0.00 H new ATOM 548 N HIS A 41 13.452 -21.443 -6.152 1.00 0.00 N ATOM 549 CA HIS A 41 14.296 -22.633 -6.134 1.00 0.00 C ATOM 550 C HIS A 41 13.795 -23.639 -5.103 1.00 0.00 C ATOM 551 O HIS A 41 13.570 -23.294 -3.942 1.00 0.00 O ATOM 552 CB HIS A 41 15.745 -22.251 -5.828 1.00 0.00 C ATOM 553 CG HIS A 41 15.906 -21.482 -4.554 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.728 -21.892 -3.525 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.345 -20.319 -4.145 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.664 -21.016 -2.538 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.833 -20.052 -2.889 1.00 0.00 N ATOM 0 H HIS A 41 13.379 -20.964 -5.255 1.00 0.00 H new ATOM 0 HA HIS A 41 14.250 -23.096 -7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.347 -23.158 -5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.137 -21.657 -6.653 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.296 -22.739 -3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.645 -19.714 -4.702 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.200 -21.078 -1.603 1.00 0.00 H new ATOM 565 N ASP A 42 13.620 -24.883 -5.534 1.00 0.00 N ATOM 566 CA ASP A 42 13.146 -25.940 -4.648 1.00 0.00 C ATOM 567 C ASP A 42 11.827 -25.545 -3.989 1.00 0.00 C ATOM 568 O ASP A 42 11.622 -25.782 -2.800 1.00 0.00 O ATOM 569 CB ASP A 42 14.193 -26.247 -3.577 1.00 0.00 C ATOM 570 CG ASP A 42 15.597 -26.324 -4.145 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.140 -25.266 -4.527 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.150 -27.441 -4.209 1.00 0.00 O ATOM 0 H ASP A 42 13.799 -25.185 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 42 12.979 -26.835 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.158 -25.476 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.947 -27.192 -3.093 1.00 0.00 H new ATOM 577 N ALA A 43 10.938 -24.941 -4.771 1.00 0.00 N ATOM 578 CA ALA A 43 9.641 -24.514 -4.264 1.00 0.00 C ATOM 579 C ALA A 43 9.790 -23.374 -3.262 1.00 0.00 C ATOM 580 O ALA A 43 8.816 -22.948 -2.640 1.00 0.00 O ATOM 581 CB ALA A 43 8.911 -25.687 -3.626 1.00 0.00 C ATOM 0 H ALA A 43 11.093 -24.737 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 43 9.053 -24.148 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.943 -25.353 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.762 -26.470 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.504 -26.079 -2.800 1.00 0.00 H new ATOM 587 N LEU A 44 11.015 -22.883 -3.111 1.00 0.00 N ATOM 588 CA LEU A 44 11.293 -21.791 -2.184 1.00 0.00 C ATOM 589 C LEU A 44 11.363 -20.457 -2.919 1.00 0.00 C ATOM 590 O LEU A 44 12.394 -20.104 -3.492 1.00 0.00 O ATOM 591 CB LEU A 44 12.606 -22.047 -1.442 1.00 0.00 C ATOM 592 CG LEU A 44 12.883 -23.499 -1.050 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.299 -23.647 -0.516 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.870 -23.975 -0.018 1.00 0.00 C ATOM 0 H LEU A 44 11.832 -23.224 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 44 10.478 -21.744 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.428 -21.697 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.613 -21.440 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 44 12.785 -24.120 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.478 -24.687 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.011 -23.347 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.425 -23.014 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.082 -25.010 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.936 -23.349 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.866 -23.907 -0.436 1.00 0.00 H new ATOM 606 N LYS A 45 10.260 -19.716 -2.897 1.00 0.00 N ATOM 607 CA LYS A 45 10.195 -18.418 -3.558 1.00 0.00 C ATOM 608 C LYS A 45 10.775 -17.325 -2.666 1.00 0.00 C ATOM 609 O LYS A 45 10.261 -17.057 -1.581 1.00 0.00 O ATOM 610 CB LYS A 45 8.748 -18.080 -3.922 1.00 0.00 C ATOM 611 CG LYS A 45 8.071 -19.141 -4.772 1.00 0.00 C ATOM 612 CD LYS A 45 6.575 -18.896 -4.883 1.00 0.00 C ATOM 613 CE LYS A 45 5.832 -20.158 -5.293 1.00 0.00 C ATOM 614 NZ LYS A 45 4.563 -19.848 -6.007 1.00 0.00 N ATOM 0 H LYS A 45 9.398 -19.993 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 45 10.789 -18.472 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.175 -17.940 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.729 -17.131 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.514 -19.148 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.248 -20.125 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.191 -18.541 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.387 -18.109 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.472 -20.763 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.614 -20.755 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.830 -20.528 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.255 -18.885 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.717 -19.914 -7.033 1.00 0.00 H new ATOM 628 N GLY A 46 11.848 -16.694 -3.133 1.00 0.00 N ATOM 629 CA GLY A 46 12.479 -15.635 -2.366 1.00 0.00 C ATOM 630 C GLY A 46 13.080 -14.559 -3.248 1.00 0.00 C ATOM 631 O GLY A 46 12.606 -14.323 -4.360 1.00 0.00 O ATOM 0 H GLY A 46 12.292 -16.897 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.743 -15.185 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.260 -16.062 -1.736 1.00 0.00 H new ATOM 635 N TRP A 47 14.122 -13.903 -2.752 1.00 0.00 N ATOM 636 CA TRP A 47 14.788 -12.844 -3.502 1.00 0.00 C ATOM 637 C TRP A 47 16.302 -12.996 -3.433 1.00 0.00 C ATOM 638 O TRP A 47 16.840 -13.506 -2.450 1.00 0.00 O ATOM 639 CB TRP A 47 14.375 -11.473 -2.964 1.00 0.00 C ATOM 640 CG TRP A 47 12.896 -11.235 -3.015 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.960 -11.694 -2.131 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.182 -10.484 -4.003 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.708 -11.272 -2.510 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.817 -10.527 -3.654 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.562 -9.776 -5.146 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.837 -9.892 -4.410 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.587 -9.146 -5.895 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.237 -9.206 -5.525 1.00 0.00 C ATOM 0 H TRP A 47 14.525 -14.086 -1.833 1.00 0.00 H new ATOM 0 HA TRP A 47 14.482 -12.925 -4.545 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.716 -11.378 -1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.880 -10.698 -3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.173 -12.299 -1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.839 -11.480 -2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.600 -9.722 -5.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.796 -9.939 -4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.870 -8.598 -6.781 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.498 -8.702 -6.131 1.00 0.00 H new ATOM 659 N SER A 48 16.986 -12.550 -4.482 1.00 0.00 N ATOM 660 CA SER A 48 18.441 -12.640 -4.541 1.00 0.00 C ATOM 661 C SER A 48 19.087 -11.513 -3.742 1.00 0.00 C ATOM 662 O SER A 48 20.288 -11.265 -3.856 1.00 0.00 O ATOM 663 CB SER A 48 18.917 -12.589 -5.994 1.00 0.00 C ATOM 664 OG SER A 48 20.306 -12.854 -6.084 1.00 0.00 O ATOM 0 H SER A 48 16.556 -12.123 -5.303 1.00 0.00 H new ATOM 0 HA SER A 48 18.740 -13.591 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.365 -13.318 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.703 -11.607 -6.416 1.00 0.00 H new ATOM 0 HG SER A 48 20.774 -12.399 -5.353 1.00 0.00 H new ATOM 670 N CYS A 49 18.282 -10.832 -2.933 1.00 0.00 N ATOM 671 CA CYS A 49 18.774 -9.730 -2.114 1.00 0.00 C ATOM 672 C CYS A 49 19.009 -10.184 -0.676 1.00 0.00 C ATOM 673 O CYS A 49 20.069 -9.936 -0.101 1.00 0.00 O ATOM 674 CB CYS A 49 17.779 -8.567 -2.138 1.00 0.00 C ATOM 675 SG CYS A 49 16.048 -9.064 -1.873 1.00 0.00 S ATOM 0 H CYS A 49 17.286 -11.024 -2.827 1.00 0.00 H new ATOM 0 HA CYS A 49 19.724 -9.396 -2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.060 -7.846 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.856 -8.057 -3.098 1.00 0.00 H new ATOM 680 N CYS A 50 18.014 -10.850 -0.102 1.00 0.00 N ATOM 681 CA CYS A 50 18.110 -11.339 1.268 1.00 0.00 C ATOM 682 C CYS A 50 18.073 -12.864 1.305 1.00 0.00 C ATOM 683 O CYS A 50 18.004 -13.521 0.266 1.00 0.00 O ATOM 684 CB CYS A 50 16.972 -10.770 2.116 1.00 0.00 C ATOM 685 SG CYS A 50 15.344 -10.810 1.299 1.00 0.00 S ATOM 0 H CYS A 50 17.131 -11.064 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 50 19.063 -11.006 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.912 -11.331 3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.209 -9.739 2.379 1.00 0.00 H new ATOM 690 N LYS A 51 18.119 -13.423 2.510 1.00 0.00 N ATOM 691 CA LYS A 51 18.090 -14.870 2.685 1.00 0.00 C ATOM 692 C LYS A 51 16.656 -15.374 2.805 1.00 0.00 C ATOM 693 O LYS A 51 16.362 -16.523 2.471 1.00 0.00 O ATOM 694 CB LYS A 51 18.889 -15.270 3.928 1.00 0.00 C ATOM 695 CG LYS A 51 20.264 -14.630 4.000 1.00 0.00 C ATOM 696 CD LYS A 51 21.237 -15.488 4.790 1.00 0.00 C ATOM 697 CE LYS A 51 20.556 -16.160 5.972 1.00 0.00 C ATOM 698 NZ LYS A 51 21.527 -16.502 7.050 1.00 0.00 N ATOM 0 H LYS A 51 18.177 -12.895 3.381 1.00 0.00 H new ATOM 0 HA LYS A 51 18.545 -15.327 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.323 -14.995 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.001 -16.354 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.648 -14.477 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.185 -13.647 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.667 -16.247 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.061 -14.870 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.787 -15.499 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.053 -17.067 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.024 -16.958 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.247 -17.153 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.988 -15.634 7.390 1.00 0.00 H new ATOM 712 N ARG A 52 15.766 -14.509 3.281 1.00 0.00 N ATOM 713 CA ARG A 52 14.363 -14.868 3.443 1.00 0.00 C ATOM 714 C ARG A 52 13.910 -15.811 2.333 1.00 0.00 C ATOM 715 O ARG A 52 14.217 -15.596 1.160 1.00 0.00 O ATOM 716 CB ARG A 52 13.490 -13.611 3.447 1.00 0.00 C ATOM 717 CG ARG A 52 12.052 -13.869 3.865 1.00 0.00 C ATOM 718 CD ARG A 52 11.911 -13.913 5.378 1.00 0.00 C ATOM 719 NE ARG A 52 12.148 -15.252 5.911 1.00 0.00 N ATOM 720 CZ ARG A 52 11.296 -16.261 5.768 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.158 -16.085 5.110 1.00 0.00 N ATOM 722 NH2 ARG A 52 11.583 -17.451 6.282 1.00 0.00 N ATOM 0 H ARG A 52 15.992 -13.555 3.561 1.00 0.00 H new ATOM 0 HA ARG A 52 14.254 -15.381 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.929 -12.876 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.496 -13.172 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.409 -13.087 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.712 -14.813 3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.616 -13.214 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.911 -13.583 5.659 1.00 0.00 H new ATOM 0 HE ARG A 52 13.015 -15.422 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.935 -15.173 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.506 -16.862 5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.458 -17.591 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.928 -18.225 6.172 1.00 0.00 H new ATOM 736 N ARG A 53 13.181 -16.855 2.711 1.00 0.00 N ATOM 737 CA ARG A 53 12.688 -17.832 1.747 1.00 0.00 C ATOM 738 C ARG A 53 11.420 -18.509 2.259 1.00 0.00 C ATOM 739 O ARG A 53 11.385 -19.020 3.379 1.00 0.00 O ATOM 740 CB ARG A 53 13.761 -18.884 1.461 1.00 0.00 C ATOM 741 CG ARG A 53 13.731 -19.414 0.037 1.00 0.00 C ATOM 742 CD ARG A 53 14.487 -18.499 -0.914 1.00 0.00 C ATOM 743 NE ARG A 53 15.934 -18.638 -0.772 1.00 0.00 N ATOM 744 CZ ARG A 53 16.810 -17.804 -1.322 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.388 -16.776 -2.045 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.111 -17.997 -1.147 1.00 0.00 N ATOM 0 H ARG A 53 12.918 -17.047 3.678 1.00 0.00 H new ATOM 0 HA ARG A 53 12.450 -17.305 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.742 -18.453 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.634 -19.717 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.170 -20.411 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.697 -19.511 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.200 -18.726 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.202 -17.464 -0.725 1.00 0.00 H new ATOM 0 HE ARG A 53 16.292 -19.418 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.389 -16.624 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.063 -16.137 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.439 -18.786 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.783 -17.356 -1.569 1.00 0.00 H new ATOM 760 N THR A 54 10.379 -18.509 1.432 1.00 0.00 N ATOM 761 CA THR A 54 9.109 -19.121 1.801 1.00 0.00 C ATOM 762 C THR A 54 8.502 -19.879 0.626 1.00 0.00 C ATOM 763 O THR A 54 8.561 -19.424 -0.517 1.00 0.00 O ATOM 764 CB THR A 54 8.101 -18.067 2.294 1.00 0.00 C ATOM 765 OG1 THR A 54 6.903 -18.709 2.747 1.00 0.00 O ATOM 766 CG2 THR A 54 7.764 -17.081 1.186 1.00 0.00 C ATOM 0 H THR A 54 10.391 -18.091 0.501 1.00 0.00 H new ATOM 0 HA THR A 54 9.318 -19.820 2.611 1.00 0.00 H new ATOM 0 HB THR A 54 8.556 -17.520 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.756 -18.497 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.050 -16.346 1.558 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.672 -16.573 0.862 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.327 -17.616 0.343 1.00 0.00 H new ATOM 774 N THR A 55 7.918 -21.039 0.913 1.00 0.00 N ATOM 775 CA THR A 55 7.300 -21.860 -0.120 1.00 0.00 C ATOM 776 C THR A 55 5.877 -21.400 -0.409 1.00 0.00 C ATOM 777 O THR A 55 5.370 -21.577 -1.517 1.00 0.00 O ATOM 778 CB THR A 55 7.276 -23.346 0.284 1.00 0.00 C ATOM 779 OG1 THR A 55 6.380 -23.541 1.383 1.00 0.00 O ATOM 780 CG2 THR A 55 8.668 -23.825 0.667 1.00 0.00 C ATOM 0 H THR A 55 7.861 -21.431 1.853 1.00 0.00 H new ATOM 0 HA THR A 55 7.905 -21.746 -1.019 1.00 0.00 H new ATOM 0 HB THR A 55 6.932 -23.927 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.369 -24.489 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.626 -24.877 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.341 -23.703 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.036 -23.239 1.509 1.00 0.00 H new ATOM 788 N ASP A 56 5.235 -20.810 0.593 1.00 0.00 N ATOM 789 CA ASP A 56 3.868 -20.323 0.446 1.00 0.00 C ATOM 790 C ASP A 56 3.825 -19.095 -0.458 1.00 0.00 C ATOM 791 O ASP A 56 4.198 -17.996 -0.048 1.00 0.00 O ATOM 792 CB ASP A 56 3.274 -19.987 1.814 1.00 0.00 C ATOM 793 CG ASP A 56 1.759 -20.050 1.819 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.176 -20.372 0.763 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.156 -19.777 2.878 1.00 0.00 O ATOM 0 H ASP A 56 5.640 -20.657 1.517 1.00 0.00 H new ATOM 0 HA ASP A 56 3.274 -21.112 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.666 -20.681 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.594 -18.988 2.110 1.00 0.00 H new ATOM 800 N PHE A 57 3.365 -19.289 -1.689 1.00 0.00 N ATOM 801 CA PHE A 57 3.273 -18.198 -2.652 1.00 0.00 C ATOM 802 C PHE A 57 2.733 -16.933 -1.991 1.00 0.00 C ATOM 803 O PHE A 57 3.038 -15.819 -2.416 1.00 0.00 O ATOM 804 CB PHE A 57 2.373 -18.598 -3.824 1.00 0.00 C ATOM 805 CG PHE A 57 2.099 -17.472 -4.780 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.092 -16.563 -5.105 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.846 -17.323 -5.354 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.842 -15.526 -5.983 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.589 -16.289 -6.233 1.00 0.00 C ATOM 810 CZ PHE A 57 1.589 -15.389 -6.549 1.00 0.00 C ATOM 0 H PHE A 57 3.050 -20.192 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 57 4.276 -17.992 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.840 -19.420 -4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.426 -18.972 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.074 -16.666 -4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.061 -18.024 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.625 -14.823 -6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.392 -16.184 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.392 -14.580 -7.237 1.00 0.00 H new ATOM 820 N SER A 58 1.927 -17.115 -0.950 1.00 0.00 N ATOM 821 CA SER A 58 1.340 -15.989 -0.232 1.00 0.00 C ATOM 822 C SER A 58 2.394 -15.268 0.602 1.00 0.00 C ATOM 823 O SER A 58 2.493 -14.041 0.571 1.00 0.00 O ATOM 824 CB SER A 58 0.203 -16.470 0.670 1.00 0.00 C ATOM 825 OG SER A 58 -0.671 -15.404 1.003 1.00 0.00 O ATOM 0 H SER A 58 1.665 -18.031 -0.585 1.00 0.00 H new ATOM 0 HA SER A 58 0.941 -15.289 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.356 -17.259 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.616 -16.904 1.581 1.00 0.00 H new ATOM 0 HG SER A 58 -1.390 -15.738 1.579 1.00 0.00 H new ATOM 831 N ASP A 59 3.181 -16.038 1.346 1.00 0.00 N ATOM 832 CA ASP A 59 4.228 -15.474 2.188 1.00 0.00 C ATOM 833 C ASP A 59 5.288 -14.776 1.342 1.00 0.00 C ATOM 834 O ASP A 59 5.780 -13.705 1.701 1.00 0.00 O ATOM 835 CB ASP A 59 4.877 -16.569 3.037 1.00 0.00 C ATOM 836 CG ASP A 59 3.984 -17.022 4.176 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.759 -17.126 3.965 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.514 -17.273 5.279 1.00 0.00 O ATOM 0 H ASP A 59 3.113 -17.055 1.383 1.00 0.00 H new ATOM 0 HA ASP A 59 3.770 -14.737 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.115 -17.423 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.819 -16.200 3.442 1.00 0.00 H new ATOM 843 N PHE A 60 5.639 -15.389 0.216 1.00 0.00 N ATOM 844 CA PHE A 60 6.642 -14.828 -0.681 1.00 0.00 C ATOM 845 C PHE A 60 6.337 -13.365 -0.991 1.00 0.00 C ATOM 846 O PHE A 60 7.243 -12.536 -1.084 1.00 0.00 O ATOM 847 CB PHE A 60 6.703 -15.634 -1.980 1.00 0.00 C ATOM 848 CG PHE A 60 7.158 -14.829 -3.164 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.507 -14.640 -3.413 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.234 -14.261 -4.027 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.929 -13.900 -4.502 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.649 -13.521 -5.118 1.00 0.00 C ATOM 853 CZ PHE A 60 7.998 -13.339 -5.355 1.00 0.00 C ATOM 0 H PHE A 60 5.243 -16.275 -0.097 1.00 0.00 H new ATOM 0 HA PHE A 60 7.610 -14.882 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.379 -16.478 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.716 -16.047 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.238 -15.076 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.178 -14.398 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.984 -13.761 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.920 -13.085 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.324 -12.759 -6.206 1.00 0.00 H new ATOM 863 N LEU A 61 5.056 -13.055 -1.149 1.00 0.00 N ATOM 864 CA LEU A 61 4.628 -11.693 -1.449 1.00 0.00 C ATOM 865 C LEU A 61 4.615 -10.836 -0.187 1.00 0.00 C ATOM 866 O LEU A 61 4.616 -9.608 -0.258 1.00 0.00 O ATOM 867 CB LEU A 61 3.240 -11.701 -2.089 1.00 0.00 C ATOM 868 CG LEU A 61 3.094 -12.534 -3.363 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.627 -12.677 -3.742 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.882 -11.907 -4.504 1.00 0.00 C ATOM 0 H LEU A 61 4.294 -13.729 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 61 5.341 -11.262 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.525 -12.070 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.961 -10.672 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 61 3.498 -13.528 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.542 -13.273 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.089 -13.171 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.198 -11.690 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.766 -12.513 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.508 -10.901 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.937 -11.857 -4.233 1.00 0.00 H new ATOM 882 N SER A 62 4.601 -11.494 0.968 1.00 0.00 N ATOM 883 CA SER A 62 4.585 -10.793 2.247 1.00 0.00 C ATOM 884 C SER A 62 6.002 -10.448 2.695 1.00 0.00 C ATOM 885 O SER A 62 6.222 -9.447 3.377 1.00 0.00 O ATOM 886 CB SER A 62 3.894 -11.647 3.312 1.00 0.00 C ATOM 887 OG SER A 62 3.325 -10.837 4.324 1.00 0.00 O ATOM 0 H SER A 62 4.600 -12.511 1.044 1.00 0.00 H new ATOM 0 HA SER A 62 4.028 -9.865 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.117 -12.254 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.614 -12.335 3.755 1.00 0.00 H new ATOM 0 HG SER A 62 2.888 -11.406 4.992 1.00 0.00 H new ATOM 893 N ILE A 63 6.959 -11.285 2.307 1.00 0.00 N ATOM 894 CA ILE A 63 8.354 -11.069 2.668 1.00 0.00 C ATOM 895 C ILE A 63 8.693 -9.582 2.693 1.00 0.00 C ATOM 896 O ILE A 63 8.906 -8.965 1.650 1.00 0.00 O ATOM 897 CB ILE A 63 9.306 -11.783 1.690 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.170 -13.301 1.829 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.743 -11.350 1.937 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.806 -14.071 0.693 1.00 0.00 C ATOM 0 H ILE A 63 6.793 -12.118 1.743 1.00 0.00 H new ATOM 0 HA ILE A 63 8.489 -11.487 3.666 1.00 0.00 H new ATOM 0 HB ILE A 63 9.033 -11.504 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.625 -13.614 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.113 -13.559 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.403 -11.864 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.828 -10.273 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.029 -11.603 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.671 -15.140 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.335 -13.787 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.871 -13.842 0.649 1.00 0.00 H new ATOM 912 N VAL A 64 8.738 -9.011 3.893 1.00 0.00 N ATOM 913 CA VAL A 64 9.054 -7.597 4.055 1.00 0.00 C ATOM 914 C VAL A 64 10.406 -7.260 3.436 1.00 0.00 C ATOM 915 O VAL A 64 11.320 -8.082 3.433 1.00 0.00 O ATOM 916 CB VAL A 64 9.066 -7.192 5.541 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.747 -8.262 6.380 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.752 -5.846 5.720 1.00 0.00 C ATOM 0 H VAL A 64 8.560 -9.506 4.767 1.00 0.00 H new ATOM 0 HA VAL A 64 8.273 -7.037 3.539 1.00 0.00 H new ATOM 0 HB VAL A 64 8.035 -7.097 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.746 -7.959 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.209 -9.204 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.775 -8.391 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.752 -5.575 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.780 -5.911 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.217 -5.086 5.150 1.00 0.00 H new ATOM 928 N GLY A 65 10.523 -6.044 2.911 1.00 0.00 N ATOM 929 CA GLY A 65 11.767 -5.619 2.296 1.00 0.00 C ATOM 930 C GLY A 65 12.955 -5.775 3.223 1.00 0.00 C ATOM 931 O GLY A 65 12.841 -5.564 4.431 1.00 0.00 O ATOM 0 H GLY A 65 9.779 -5.346 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.938 -6.201 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.681 -4.575 1.993 1.00 0.00 H new ATOM 935 N CYS A 66 14.099 -6.147 2.659 1.00 0.00 N ATOM 936 CA CYS A 66 15.314 -6.334 3.443 1.00 0.00 C ATOM 937 C CYS A 66 16.215 -5.105 3.353 1.00 0.00 C ATOM 938 O CYS A 66 17.188 -4.977 4.097 1.00 0.00 O ATOM 939 CB CYS A 66 16.073 -7.572 2.960 1.00 0.00 C ATOM 940 SG CYS A 66 16.673 -7.454 1.244 1.00 0.00 S ATOM 0 H CYS A 66 14.210 -6.325 1.661 1.00 0.00 H new ATOM 0 HA CYS A 66 15.025 -6.476 4.484 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.923 -7.744 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.421 -8.441 3.047 1.00 0.00 H new ATOM 945 N THR A 67 15.882 -4.201 2.436 1.00 0.00 N ATOM 946 CA THR A 67 16.660 -2.983 2.247 1.00 0.00 C ATOM 947 C THR A 67 15.866 -1.753 2.673 1.00 0.00 C ATOM 948 O THR A 67 14.646 -1.811 2.830 1.00 0.00 O ATOM 949 CB THR A 67 17.094 -2.816 0.779 1.00 0.00 C ATOM 950 OG1 THR A 67 17.868 -3.949 0.365 1.00 0.00 O ATOM 951 CG2 THR A 67 17.910 -1.545 0.597 1.00 0.00 C ATOM 0 H THR A 67 15.079 -4.290 1.813 1.00 0.00 H new ATOM 0 HA THR A 67 17.548 -3.074 2.872 1.00 0.00 H new ATOM 0 HB THR A 67 16.197 -2.744 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.821 -3.723 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.205 -1.449 -0.448 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.309 -0.682 0.885 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.801 -1.592 1.223 1.00 0.00 H new ATOM 959 N LYS A 68 16.566 -0.639 2.858 1.00 0.00 N ATOM 960 CA LYS A 68 15.927 0.608 3.264 1.00 0.00 C ATOM 961 C LYS A 68 16.299 1.743 2.316 1.00 0.00 C ATOM 962 O LYS A 68 17.428 1.819 1.834 1.00 0.00 O ATOM 963 CB LYS A 68 16.333 0.970 4.695 1.00 0.00 C ATOM 964 CG LYS A 68 15.509 0.265 5.758 1.00 0.00 C ATOM 965 CD LYS A 68 14.282 1.074 6.141 1.00 0.00 C ATOM 966 CE LYS A 68 13.472 0.379 7.223 1.00 0.00 C ATOM 967 NZ LYS A 68 12.184 1.079 7.487 1.00 0.00 N ATOM 0 H LYS A 68 17.576 -0.574 2.733 1.00 0.00 H new ATOM 0 HA LYS A 68 14.847 0.464 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.385 0.722 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.238 2.048 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.200 -0.714 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.124 0.094 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.589 2.059 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.658 1.229 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.272 -0.649 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.056 0.334 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.824 0.803 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.337 2.107 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.490 0.816 6.758 1.00 0.00 H new ATOM 981 N GLY A 69 15.340 2.626 2.053 1.00 0.00 N ATOM 982 CA GLY A 69 15.587 3.747 1.165 1.00 0.00 C ATOM 983 C GLY A 69 14.368 4.632 0.996 1.00 0.00 C ATOM 984 O GLY A 69 13.502 4.682 1.870 1.00 0.00 O ATOM 0 H GLY A 69 14.397 2.585 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.412 4.342 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.898 3.372 0.190 1.00 0.00 H new ATOM 988 N ARG A 70 14.300 5.334 -0.131 1.00 0.00 N ATOM 989 CA ARG A 70 13.181 6.224 -0.410 1.00 0.00 C ATOM 990 C ARG A 70 12.222 5.593 -1.416 1.00 0.00 C ATOM 991 O ARG A 70 12.635 5.147 -2.487 1.00 0.00 O ATOM 992 CB ARG A 70 13.688 7.565 -0.945 1.00 0.00 C ATOM 993 CG ARG A 70 14.862 8.127 -0.162 1.00 0.00 C ATOM 994 CD ARG A 70 15.130 9.580 -0.526 1.00 0.00 C ATOM 995 NE ARG A 70 16.034 9.701 -1.667 1.00 0.00 N ATOM 996 CZ ARG A 70 16.281 10.849 -2.288 1.00 0.00 C ATOM 997 NH1 ARG A 70 15.698 11.967 -1.880 1.00 0.00 N ATOM 998 NH2 ARG A 70 17.115 10.879 -3.320 1.00 0.00 N ATOM 0 H ARG A 70 15.007 5.303 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 70 12.643 6.393 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.982 7.443 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.871 8.286 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.659 8.050 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.752 7.531 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.187 10.076 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.559 10.096 0.333 1.00 0.00 H new ATOM 0 HE ARG A 70 16.500 8.859 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.057 11.948 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.890 12.847 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.566 10.021 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.305 11.760 -3.797 1.00 0.00 H new ATOM 1012 N HIS A 71 10.941 5.558 -1.063 1.00 0.00 N ATOM 1013 CA HIS A 71 9.924 4.982 -1.935 1.00 0.00 C ATOM 1014 C HIS A 71 10.066 5.509 -3.360 1.00 0.00 C ATOM 1015 O HIS A 71 10.229 6.709 -3.574 1.00 0.00 O ATOM 1016 CB HIS A 71 8.525 5.297 -1.401 1.00 0.00 C ATOM 1017 CG HIS A 71 8.292 4.804 -0.006 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.726 3.579 0.275 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.556 5.378 1.191 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.648 3.422 1.584 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.146 4.499 2.163 1.00 0.00 N ATOM 0 H HIS A 71 10.583 5.921 -0.180 1.00 0.00 H new ATOM 0 HA HIS A 71 10.065 3.901 -1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.369 6.375 -1.427 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.783 4.852 -2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.005 6.347 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.245 2.559 2.094 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.215 4.653 3.169 1.00 0.00 H new ATOM 1029 N ASN A 72 10.005 4.602 -4.330 1.00 0.00 N ATOM 1030 CA ASN A 72 10.130 4.976 -5.734 1.00 0.00 C ATOM 1031 C ASN A 72 8.766 5.300 -6.334 1.00 0.00 C ATOM 1032 O ASN A 72 7.969 4.404 -6.612 1.00 0.00 O ATOM 1033 CB ASN A 72 10.792 3.847 -6.527 1.00 0.00 C ATOM 1034 CG ASN A 72 9.905 2.623 -6.643 1.00 0.00 C ATOM 1035 OD1 ASN A 72 9.109 2.333 -5.749 1.00 0.00 O ATOM 1036 ND2 ASN A 72 10.036 1.899 -7.748 1.00 0.00 N ATOM 0 H ASN A 72 9.870 3.604 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 72 10.754 5.868 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.042 4.206 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.729 3.569 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.464 1.065 -7.882 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.709 2.177 -8.463 1.00 0.00 H new ATOM 1043 N SER A 73 8.503 6.589 -6.531 1.00 0.00 N ATOM 1044 CA SER A 73 7.233 7.032 -7.094 1.00 0.00 C ATOM 1045 C SER A 73 7.219 6.852 -8.609 1.00 0.00 C ATOM 1046 O SER A 73 6.285 7.278 -9.286 1.00 0.00 O ATOM 1047 CB SER A 73 6.981 8.499 -6.742 1.00 0.00 C ATOM 1048 OG SER A 73 8.056 9.319 -7.167 1.00 0.00 O ATOM 0 H SER A 73 9.152 7.344 -6.309 1.00 0.00 H new ATOM 0 HA SER A 73 6.439 6.420 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.056 8.835 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.847 8.600 -5.665 1.00 0.00 H new ATOM 0 HG SER A 73 7.753 10.249 -7.231 1.00 0.00 H new ATOM 1054 N GLU A 74 8.262 6.217 -9.133 1.00 0.00 N ATOM 1055 CA GLU A 74 8.370 5.980 -10.568 1.00 0.00 C ATOM 1056 C GLU A 74 8.290 4.489 -10.881 1.00 0.00 C ATOM 1057 O GLU A 74 8.735 3.653 -10.094 1.00 0.00 O ATOM 1058 CB GLU A 74 9.682 6.556 -11.105 1.00 0.00 C ATOM 1059 CG GLU A 74 10.868 5.619 -10.947 1.00 0.00 C ATOM 1060 CD GLU A 74 12.184 6.274 -11.320 1.00 0.00 C ATOM 1061 OE1 GLU A 74 12.250 6.898 -12.401 1.00 0.00 O ATOM 1062 OE2 GLU A 74 13.146 6.164 -10.533 1.00 0.00 O ATOM 0 H GLU A 74 9.044 5.857 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 74 7.535 6.481 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.558 6.797 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.897 7.491 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.918 5.274 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.716 4.738 -11.570 1.00 0.00 H new ATOM 1069 N LYS A 75 7.720 4.163 -12.036 1.00 0.00 N ATOM 1070 CA LYS A 75 7.582 2.773 -12.456 1.00 0.00 C ATOM 1071 C LYS A 75 8.901 2.236 -13.002 1.00 0.00 C ATOM 1072 O LYS A 75 8.884 1.313 -13.816 1.00 0.00 O ATOM 1073 CB LYS A 75 6.488 2.647 -13.519 1.00 0.00 C ATOM 1074 CG LYS A 75 5.099 2.438 -12.941 1.00 0.00 C ATOM 1075 CD LYS A 75 4.019 2.882 -13.913 1.00 0.00 C ATOM 1076 CE LYS A 75 3.830 4.391 -13.887 1.00 0.00 C ATOM 1077 NZ LYS A 75 4.859 5.092 -14.704 1.00 0.00 N ATOM 0 H LYS A 75 7.346 4.843 -12.698 1.00 0.00 H new ATOM 0 HA LYS A 75 7.303 2.182 -11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.485 3.547 -14.134 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.728 1.812 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.960 1.385 -12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.004 2.996 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.284 2.565 -14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.078 2.392 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.837 4.639 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.880 4.746 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.435 5.928 -15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.645 5.390 -14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.217 4.448 -15.438 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.359 2.011 -0.574 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.136 -8.911 0.172 1.00 0.00 ZN