USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 CYS SG : rot 154:sc= 1.78 USER MOD Set 1.2: A 77 CYS SG : rot 39:sc= -0.188 USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.138 X(o=0.25,f=-0.066) USER MOD Set 1.4: A 94 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 95 HIS : no HE2:sc= -1.47 K(o=0.25,f=-0.32) USER MOD Set 2.1: A 75 ASN : amide:sc= 0.168 K(o=0.36,f=-0.62) USER MOD Set 2.2: A 91 LYS NZ :NH3+ 173:sc= 0.192 (180deg=0) USER MOD Set 3.1: A 44 CYS SG : rot -137:sc= -1.98 USER MOD Set 3.2: A 47 CYS SG : rot 80:sc= -0.489! USER MOD Set 3.3: A 60 HIS : no HD1:sc= -0.017 K(o=-4.8,f=-3.2) USER MOD Set 3.4: A 64 HIS : no HD1:sc= -2.29! K(o=-4.8!,f=-2.8) USER MOD Set 4.1: A 51 CYS SG : rot 120:sc= -0.528 USER MOD Set 4.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 27 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.01) USER MOD Set 6.1: A 16 CYS SG : rot 176:sc= 0.165 USER MOD Set 6.2: A 19 CYS SG : rot 51:sc= 0.191 USER MOD Set 6.3: A 32 HIS : no HE2:sc= 0.0219 X(o=-0.51,f=-0.57) USER MOD Set 6.4: A 36 HIS : no HD1:sc= -0.89 X(o=-0.51,f=-0.31) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.4) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -120:sc= 0.202 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0261) USER MOD Single : A 43 GLN : amide:sc= -0.72 K(o=-0.72,f=-1.8!) USER MOD Single : A 50 THR OG1 : rot 142:sc= 0.00194 USER MOD Single : A 53 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.57) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.206 (180deg=-0.206) USER MOD Single : A 58 ASN : amide:sc= 0.0429 X(o=0.043,f=0) USER MOD Single : A 61 MET CE :methyl -170:sc= -0.204 (180deg=-0.332) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.0171 (180deg=-0.186) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -34:sc= 0.152 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.194) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 157:sc= 0.682 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0092) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.656 -11.957 15.576 1.00 0.00 N ATOM 37 CA ARG A 12 14.033 -11.013 16.507 1.00 0.00 C ATOM 38 C ARG A 12 14.058 -9.621 15.865 1.00 0.00 C ATOM 39 O ARG A 12 15.084 -8.927 15.943 1.00 0.00 O ATOM 40 CB ARG A 12 14.797 -10.972 17.868 1.00 0.00 C ATOM 41 CG ARG A 12 14.165 -10.036 18.935 1.00 0.00 C ATOM 42 CD ARG A 12 15.174 -9.524 19.981 1.00 0.00 C ATOM 43 NE ARG A 12 15.825 -10.617 20.742 1.00 0.00 N ATOM 44 CZ ARG A 12 17.151 -10.791 20.869 1.00 0.00 C ATOM 45 NH1 ARG A 12 18.015 -10.032 20.196 1.00 0.00 N ATOM 46 NH2 ARG A 12 17.619 -11.752 21.657 1.00 0.00 N ATOM 0 HA ARG A 12 13.010 -11.331 16.708 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.846 -11.983 18.273 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.823 -10.652 17.685 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.710 -9.182 18.433 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.364 -10.570 19.446 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.940 -8.932 19.480 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.662 -8.859 20.677 1.00 0.00 H new ATOM 0 HE ARG A 12 15.217 -11.291 21.207 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.673 -9.303 19.570 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.018 -10.180 20.307 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.972 -12.356 22.164 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.625 -11.886 21.755 1.00 0.00 H new ATOM 60 N ASP A 13 12.956 -9.270 15.174 1.00 0.00 N ATOM 61 CA ASP A 13 12.711 -7.927 14.621 1.00 0.00 C ATOM 62 C ASP A 13 13.840 -7.488 13.672 1.00 0.00 C ATOM 63 O ASP A 13 14.849 -6.914 14.098 1.00 0.00 O ATOM 64 CB ASP A 13 12.491 -6.889 15.744 1.00 0.00 C ATOM 65 CG ASP A 13 11.293 -7.220 16.650 1.00 0.00 C ATOM 66 OD1 ASP A 13 11.464 -7.972 17.637 1.00 0.00 O ATOM 67 OD2 ASP A 13 10.167 -6.757 16.369 1.00 0.00 O ATOM 0 H ASP A 13 12.198 -9.925 14.982 1.00 0.00 H new ATOM 0 HA ASP A 13 11.794 -7.982 14.034 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.393 -6.826 16.353 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.339 -5.907 15.297 1.00 0.00 H new ATOM 72 N TYR A 14 13.659 -7.818 12.399 1.00 0.00 N ATOM 73 CA TYR A 14 14.639 -7.559 11.336 1.00 0.00 C ATOM 74 C TYR A 14 14.593 -6.093 10.908 1.00 0.00 C ATOM 75 O TYR A 14 13.556 -5.585 10.459 1.00 0.00 O ATOM 76 CB TYR A 14 14.387 -8.502 10.137 1.00 0.00 C ATOM 77 CG TYR A 14 14.801 -9.947 10.430 1.00 0.00 C ATOM 78 CD1 TYR A 14 13.974 -10.809 11.147 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.040 -10.436 10.018 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.369 -12.099 11.436 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.435 -11.721 10.309 1.00 0.00 C ATOM 82 CZ TYR A 14 15.602 -12.549 11.013 1.00 0.00 C ATOM 83 OH TYR A 14 15.998 -13.829 11.295 1.00 0.00 O ATOM 0 H TYR A 14 12.814 -8.281 12.064 1.00 0.00 H new ATOM 0 HA TYR A 14 15.638 -7.760 11.722 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.329 -8.477 9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.939 -8.138 9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.008 -10.462 11.482 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.703 -9.793 9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.715 -12.754 11.992 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.401 -12.077 9.983 1.00 0.00 H new ATOM 0 HH TYR A 14 16.892 -13.984 10.924 1.00 0.00 H new ATOM 93 N ILE A 15 15.750 -5.429 11.034 1.00 0.00 N ATOM 94 CA ILE A 15 15.881 -3.987 10.864 1.00 0.00 C ATOM 95 C ILE A 15 16.723 -3.701 9.605 1.00 0.00 C ATOM 96 O ILE A 15 17.888 -4.093 9.524 1.00 0.00 O ATOM 97 CB ILE A 15 16.547 -3.311 12.127 1.00 0.00 C ATOM 98 CG1 ILE A 15 15.926 -3.822 13.461 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.462 -1.769 12.046 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.459 -3.515 13.630 1.00 0.00 C ATOM 0 H ILE A 15 16.631 -5.891 11.260 1.00 0.00 H new ATOM 0 HA ILE A 15 14.884 -3.561 10.751 1.00 0.00 H new ATOM 0 HB ILE A 15 17.598 -3.601 12.122 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.067 -4.901 13.522 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.474 -3.381 14.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 16.928 -1.332 12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 15 16.981 -1.422 11.152 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.417 -1.464 12.000 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.113 -3.908 14.586 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.308 -2.436 13.605 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.895 -3.979 12.821 1.00 0.00 H new ATOM 112 N CYS A 16 16.086 -3.039 8.627 1.00 0.00 N ATOM 113 CA CYS A 16 16.736 -2.528 7.397 1.00 0.00 C ATOM 114 C CYS A 16 17.904 -1.548 7.730 1.00 0.00 C ATOM 115 O CYS A 16 18.753 -1.304 6.865 1.00 0.00 O ATOM 116 CB CYS A 16 15.669 -1.841 6.500 1.00 0.00 C ATOM 117 SG CYS A 16 16.248 -1.274 4.866 1.00 0.00 S ATOM 0 H CYS A 16 15.087 -2.837 8.664 1.00 0.00 H new ATOM 0 HA CYS A 16 17.172 -3.368 6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.845 -2.538 6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.267 -0.983 7.039 1.00 0.00 H new ATOM 0 HG CYS A 16 15.244 -0.800 4.190 1.00 0.00 H new ATOM 122 N GLU A 17 17.832 -0.931 8.957 1.00 0.00 N ATOM 123 CA GLU A 17 18.940 -0.207 9.683 1.00 0.00 C ATOM 124 C GLU A 17 18.611 1.292 9.850 1.00 0.00 C ATOM 125 O GLU A 17 19.074 1.943 10.796 1.00 0.00 O ATOM 126 CB GLU A 17 20.360 -0.408 9.066 1.00 0.00 C ATOM 127 CG GLU A 17 21.522 0.182 9.889 1.00 0.00 C ATOM 128 CD GLU A 17 22.892 -0.004 9.211 1.00 0.00 C ATOM 129 OE1 GLU A 17 23.190 0.732 8.240 1.00 0.00 O ATOM 130 OE2 GLU A 17 23.676 -0.893 9.630 1.00 0.00 O ATOM 0 H GLU A 17 16.963 -0.924 9.491 1.00 0.00 H new ATOM 0 HA GLU A 17 18.988 -0.672 10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.534 -1.476 8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.374 0.041 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.343 1.245 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.541 -0.290 10.871 1.00 0.00 H new ATOM 137 N TYR A 18 17.764 1.815 8.960 1.00 0.00 N ATOM 138 CA TYR A 18 17.379 3.239 8.940 1.00 0.00 C ATOM 139 C TYR A 18 15.858 3.345 8.780 1.00 0.00 C ATOM 140 O TYR A 18 15.174 4.067 9.515 1.00 0.00 O ATOM 141 CB TYR A 18 18.094 3.993 7.792 1.00 0.00 C ATOM 142 CG TYR A 18 17.940 5.517 7.910 1.00 0.00 C ATOM 143 CD1 TYR A 18 18.279 6.165 9.105 1.00 0.00 C ATOM 144 CD2 TYR A 18 17.442 6.300 6.869 1.00 0.00 C ATOM 145 CE1 TYR A 18 18.133 7.523 9.250 1.00 0.00 C ATOM 146 CE2 TYR A 18 17.293 7.667 7.016 1.00 0.00 C ATOM 147 CZ TYR A 18 17.636 8.273 8.205 1.00 0.00 C ATOM 148 OH TYR A 18 17.479 9.633 8.351 1.00 0.00 O ATOM 0 H TYR A 18 17.320 1.263 8.226 1.00 0.00 H new ATOM 0 HA TYR A 18 17.683 3.701 9.879 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.153 3.736 7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 18 17.689 3.662 6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 18 18.664 5.584 9.930 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.169 5.832 5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.406 8.002 10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 18 16.908 8.259 6.199 1.00 0.00 H new ATOM 0 HH TYR A 18 17.119 10.012 7.522 1.00 0.00 H new ATOM 158 N CYS A 19 15.351 2.596 7.798 1.00 0.00 N ATOM 159 CA CYS A 19 13.915 2.567 7.444 1.00 0.00 C ATOM 160 C CYS A 19 13.329 1.177 7.721 1.00 0.00 C ATOM 161 O CYS A 19 12.983 0.423 6.799 1.00 0.00 O ATOM 162 CB CYS A 19 13.745 3.006 5.973 1.00 0.00 C ATOM 163 SG CYS A 19 15.102 2.445 4.912 1.00 0.00 S ATOM 0 H CYS A 19 15.924 1.985 7.216 1.00 0.00 H new ATOM 0 HA CYS A 19 13.357 3.269 8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 19 12.803 2.615 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 19 13.680 4.093 5.928 1.00 0.00 H new ATOM 0 HG CYS A 19 15.288 1.170 5.083 1.00 0.00 H new ATOM 168 N ALA A 20 13.334 0.811 9.015 1.00 0.00 N ATOM 169 CA ALA A 20 12.545 -0.307 9.552 1.00 0.00 C ATOM 170 C ALA A 20 12.442 -0.197 11.069 1.00 0.00 C ATOM 171 O ALA A 20 13.455 -0.345 11.759 1.00 0.00 O ATOM 172 CB ALA A 20 13.149 -1.663 9.183 1.00 0.00 C ATOM 0 H ALA A 20 13.892 1.289 9.723 1.00 0.00 H new ATOM 0 HA ALA A 20 11.552 -0.245 9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.534 -2.461 9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.185 -1.762 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.159 -1.734 9.588 1.00 0.00 H new ATOM 178 N ARG A 21 11.225 0.057 11.587 1.00 0.00 N ATOM 179 CA ARG A 21 10.999 -0.048 13.031 1.00 0.00 C ATOM 180 C ARG A 21 11.108 -1.538 13.423 1.00 0.00 C ATOM 181 O ARG A 21 11.743 -1.863 14.434 1.00 0.00 O ATOM 182 CB ARG A 21 9.656 0.586 13.494 1.00 0.00 C ATOM 183 CG ARG A 21 8.368 -0.084 12.957 1.00 0.00 C ATOM 184 CD ARG A 21 7.114 0.295 13.778 1.00 0.00 C ATOM 185 NE ARG A 21 7.290 -0.025 15.208 1.00 0.00 N ATOM 186 CZ ARG A 21 7.261 -1.257 15.747 1.00 0.00 C ATOM 187 NH1 ARG A 21 6.975 -2.325 15.008 1.00 0.00 N ATOM 188 NH2 ARG A 21 7.526 -1.409 17.038 1.00 0.00 N ATOM 0 H ARG A 21 10.408 0.329 11.041 1.00 0.00 H new ATOM 0 HA ARG A 21 11.762 0.532 13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.625 0.567 14.583 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.649 1.634 13.193 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.218 0.206 11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.493 -1.167 12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.911 1.360 13.664 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.247 -0.238 13.388 1.00 0.00 H new ATOM 0 HE ARG A 21 7.448 0.757 15.844 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.773 -2.218 14.014 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.958 -3.251 15.435 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.749 -0.596 17.612 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.507 -2.339 17.457 1.00 0.00 H new ATOM 202 N ALA A 22 10.462 -2.426 12.617 1.00 0.00 N ATOM 203 CA ALA A 22 10.810 -3.859 12.529 1.00 0.00 C ATOM 204 C ALA A 22 10.024 -4.547 11.405 1.00 0.00 C ATOM 205 O ALA A 22 8.891 -4.168 11.109 1.00 0.00 O ATOM 206 CB ALA A 22 10.506 -4.565 13.845 1.00 0.00 C ATOM 0 H ALA A 22 9.685 -2.160 12.012 1.00 0.00 H new ATOM 0 HA ALA A 22 11.877 -3.925 12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.769 -5.620 13.761 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.088 -4.109 14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.444 -4.473 14.071 1.00 0.00 H new ATOM 212 N PHE A 23 10.639 -5.566 10.801 1.00 0.00 N ATOM 213 CA PHE A 23 9.962 -6.527 9.918 1.00 0.00 C ATOM 214 C PHE A 23 10.085 -7.918 10.547 1.00 0.00 C ATOM 215 O PHE A 23 11.075 -8.210 11.223 1.00 0.00 O ATOM 216 CB PHE A 23 10.579 -6.525 8.498 1.00 0.00 C ATOM 217 CG PHE A 23 10.268 -5.273 7.671 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.113 -5.201 6.885 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.130 -4.179 7.663 1.00 0.00 C ATOM 220 CE1 PHE A 23 8.839 -4.080 6.130 1.00 0.00 C ATOM 221 CE2 PHE A 23 10.848 -3.057 6.904 1.00 0.00 C ATOM 222 CZ PHE A 23 9.705 -3.008 6.139 1.00 0.00 C ATOM 0 H PHE A 23 11.636 -5.752 10.911 1.00 0.00 H new ATOM 0 HA PHE A 23 8.914 -6.245 9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.661 -6.628 8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.219 -7.400 7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.427 -6.035 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.031 -4.207 8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.942 -4.042 5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.527 -2.217 6.912 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.487 -2.131 5.547 1.00 0.00 H new ATOM 232 N LYS A 24 9.075 -8.769 10.332 1.00 0.00 N ATOM 233 CA LYS A 24 9.030 -10.129 10.904 1.00 0.00 C ATOM 234 C LYS A 24 10.141 -11.043 10.347 1.00 0.00 C ATOM 235 O LYS A 24 10.562 -11.997 11.019 1.00 0.00 O ATOM 236 CB LYS A 24 7.635 -10.756 10.650 1.00 0.00 C ATOM 237 CG LYS A 24 7.401 -12.126 11.330 1.00 0.00 C ATOM 238 CD LYS A 24 5.970 -12.682 11.136 1.00 0.00 C ATOM 239 CE LYS A 24 4.889 -11.751 11.714 1.00 0.00 C ATOM 240 NZ LYS A 24 3.531 -12.334 11.610 1.00 0.00 N ATOM 0 H LYS A 24 8.264 -8.539 9.758 1.00 0.00 H new ATOM 0 HA LYS A 24 9.205 -10.040 11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.872 -10.060 10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.496 -10.872 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.117 -12.845 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.602 -12.031 12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.784 -12.832 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.896 -13.659 11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.113 -11.543 12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.914 -10.797 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.837 -11.672 12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.304 -12.509 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.497 -13.231 12.135 1.00 0.00 H new ATOM 254 N SER A 25 10.628 -10.748 9.133 1.00 0.00 N ATOM 255 CA SER A 25 11.611 -11.601 8.455 1.00 0.00 C ATOM 256 C SER A 25 12.576 -10.782 7.590 1.00 0.00 C ATOM 257 O SER A 25 12.274 -9.647 7.199 1.00 0.00 O ATOM 258 CB SER A 25 10.885 -12.655 7.592 1.00 0.00 C ATOM 259 OG SER A 25 10.047 -13.492 8.376 1.00 0.00 O ATOM 0 H SER A 25 10.355 -9.922 8.600 1.00 0.00 H new ATOM 0 HA SER A 25 12.203 -12.102 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.288 -12.153 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.621 -13.265 7.068 1.00 0.00 H new ATOM 0 HG SER A 25 9.603 -14.145 7.796 1.00 0.00 H new ATOM 265 N SER A 26 13.750 -11.380 7.342 1.00 0.00 N ATOM 266 CA SER A 26 14.751 -10.883 6.372 1.00 0.00 C ATOM 267 C SER A 26 14.163 -10.795 4.944 1.00 0.00 C ATOM 268 O SER A 26 14.463 -9.862 4.195 1.00 0.00 O ATOM 269 CB SER A 26 15.979 -11.821 6.404 1.00 0.00 C ATOM 270 OG SER A 26 15.590 -13.178 6.269 1.00 0.00 O ATOM 0 H SER A 26 14.040 -12.236 7.814 1.00 0.00 H new ATOM 0 HA SER A 26 15.050 -9.873 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.665 -11.555 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.519 -11.686 7.341 1.00 0.00 H new ATOM 0 HG SER A 26 16.385 -13.750 6.291 1.00 0.00 H new ATOM 276 N HIS A 27 13.310 -11.778 4.604 1.00 0.00 N ATOM 277 CA HIS A 27 12.604 -11.845 3.304 1.00 0.00 C ATOM 278 C HIS A 27 11.550 -10.722 3.219 1.00 0.00 C ATOM 279 O HIS A 27 11.365 -10.107 2.171 1.00 0.00 O ATOM 280 CB HIS A 27 11.917 -13.223 3.127 1.00 0.00 C ATOM 281 CG HIS A 27 12.827 -14.428 3.236 1.00 0.00 C ATOM 282 ND1 HIS A 27 13.020 -15.324 2.207 1.00 0.00 N ATOM 283 CD2 HIS A 27 13.545 -14.915 4.284 1.00 0.00 C ATOM 284 CE1 HIS A 27 13.813 -16.297 2.609 1.00 0.00 C ATOM 285 NE2 HIS A 27 14.142 -16.074 3.863 1.00 0.00 N ATOM 0 H HIS A 27 13.087 -12.555 5.225 1.00 0.00 H new ATOM 0 HA HIS A 27 13.335 -11.715 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.131 -13.315 3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.432 -13.244 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.629 -14.471 5.265 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.138 -17.135 2.010 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.745 -16.669 4.431 1.00 0.00 H new ATOM 294 N ASN A 28 10.878 -10.483 4.362 1.00 0.00 N ATOM 295 CA ASN A 28 9.837 -9.440 4.522 1.00 0.00 C ATOM 296 C ASN A 28 10.423 -8.038 4.239 1.00 0.00 C ATOM 297 O ASN A 28 9.880 -7.266 3.435 1.00 0.00 O ATOM 298 CB ASN A 28 9.270 -9.526 5.970 1.00 0.00 C ATOM 299 CG ASN A 28 8.064 -8.634 6.295 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.877 -8.240 7.447 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.227 -8.329 5.313 1.00 0.00 N ATOM 0 H ASN A 28 11.043 -11.016 5.216 1.00 0.00 H new ATOM 0 HA ASN A 28 9.032 -9.606 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.989 -10.561 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.073 -9.278 6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.405 -7.755 5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.405 -8.668 4.368 1.00 0.00 H new ATOM 308 N LEU A 29 11.550 -7.745 4.906 1.00 0.00 N ATOM 309 CA LEU A 29 12.281 -6.469 4.764 1.00 0.00 C ATOM 310 C LEU A 29 12.872 -6.333 3.359 1.00 0.00 C ATOM 311 O LEU A 29 12.950 -5.226 2.840 1.00 0.00 O ATOM 312 CB LEU A 29 13.362 -6.340 5.909 1.00 0.00 C ATOM 313 CG LEU A 29 14.877 -6.681 5.609 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.647 -5.508 4.942 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.605 -7.143 6.893 1.00 0.00 C ATOM 0 H LEU A 29 11.986 -8.390 5.565 1.00 0.00 H new ATOM 0 HA LEU A 29 11.589 -5.635 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.327 -5.313 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.042 -6.981 6.730 1.00 0.00 H new ATOM 0 HG LEU A 29 14.867 -7.500 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.680 -5.806 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.173 -5.254 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.629 -4.640 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.645 -7.371 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.566 -6.349 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.117 -8.035 7.287 1.00 0.00 H new ATOM 327 N ALA A 30 13.280 -7.474 2.764 1.00 0.00 N ATOM 328 CA ALA A 30 13.870 -7.535 1.398 1.00 0.00 C ATOM 329 C ALA A 30 12.912 -6.977 0.323 1.00 0.00 C ATOM 330 O ALA A 30 13.359 -6.387 -0.665 1.00 0.00 O ATOM 331 CB ALA A 30 14.276 -8.978 1.041 1.00 0.00 C ATOM 0 H ALA A 30 13.212 -8.386 3.215 1.00 0.00 H new ATOM 0 HA ALA A 30 14.759 -6.904 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.704 -8.998 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 30 15.014 -9.336 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.397 -9.622 1.073 1.00 0.00 H new ATOM 337 N VAL A 31 11.593 -7.168 0.542 1.00 0.00 N ATOM 338 CA VAL A 31 10.548 -6.686 -0.388 1.00 0.00 C ATOM 339 C VAL A 31 10.489 -5.139 -0.376 1.00 0.00 C ATOM 340 O VAL A 31 10.335 -4.509 -1.422 1.00 0.00 O ATOM 341 CB VAL A 31 9.138 -7.295 -0.051 1.00 0.00 C ATOM 342 CG1 VAL A 31 8.076 -6.919 -1.126 1.00 0.00 C ATOM 343 CG2 VAL A 31 9.230 -8.832 0.130 1.00 0.00 C ATOM 0 H VAL A 31 11.225 -7.655 1.359 1.00 0.00 H new ATOM 0 HA VAL A 31 10.817 -7.023 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 31 8.810 -6.860 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.115 -7.358 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.978 -5.835 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.391 -7.300 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.243 -9.231 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.597 -9.285 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.915 -9.062 0.946 1.00 0.00 H new ATOM 353 N HIS A 32 10.623 -4.550 0.821 1.00 0.00 N ATOM 354 CA HIS A 32 10.683 -3.087 1.008 1.00 0.00 C ATOM 355 C HIS A 32 12.035 -2.552 0.492 1.00 0.00 C ATOM 356 O HIS A 32 12.105 -1.483 -0.116 1.00 0.00 O ATOM 357 CB HIS A 32 10.437 -2.739 2.526 1.00 0.00 C ATOM 358 CG HIS A 32 11.257 -1.584 3.072 1.00 0.00 C ATOM 359 ND1 HIS A 32 10.856 -0.271 3.066 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.518 -1.586 3.566 1.00 0.00 C ATOM 361 CE1 HIS A 32 11.864 0.466 3.542 1.00 0.00 C ATOM 362 NE2 HIS A 32 12.914 -0.278 3.857 1.00 0.00 N ATOM 0 H HIS A 32 10.693 -5.075 1.693 1.00 0.00 H new ATOM 0 HA HIS A 32 9.899 -2.598 0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.380 -2.508 2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.648 -3.626 3.123 1.00 0.00 H new ATOM 0 HD1 HIS A 32 9.950 0.079 2.754 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.126 -2.466 3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.827 1.539 3.656 1.00 0.00 H new ATOM 370 N ARG A 33 13.097 -3.335 0.763 1.00 0.00 N ATOM 371 CA ARG A 33 14.499 -3.007 0.444 1.00 0.00 C ATOM 372 C ARG A 33 14.728 -2.907 -1.085 1.00 0.00 C ATOM 373 O ARG A 33 15.775 -2.461 -1.503 1.00 0.00 O ATOM 374 CB ARG A 33 15.431 -4.080 1.083 1.00 0.00 C ATOM 375 CG ARG A 33 16.945 -3.749 1.099 1.00 0.00 C ATOM 376 CD ARG A 33 17.814 -4.938 1.554 1.00 0.00 C ATOM 377 NE ARG A 33 19.261 -4.624 1.505 1.00 0.00 N ATOM 378 CZ ARG A 33 20.191 -5.315 0.819 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.858 -6.355 0.062 1.00 0.00 N ATOM 380 NH2 ARG A 33 21.464 -4.945 0.891 1.00 0.00 N ATOM 0 H ARG A 33 13.000 -4.240 1.224 1.00 0.00 H new ATOM 0 HA ARG A 33 14.736 -2.028 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.106 -4.248 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 33 15.291 -5.019 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.255 -3.440 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.120 -2.903 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.539 -5.219 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.609 -5.800 0.919 1.00 0.00 H new ATOM 0 HE ARG A 33 19.580 -3.814 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.882 -6.643 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.578 -6.865 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.731 -4.143 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.175 -5.462 0.375 1.00 0.00 H new ATOM 394 N MET A 34 13.693 -3.256 -1.886 1.00 0.00 N ATOM 395 CA MET A 34 13.685 -3.183 -3.384 1.00 0.00 C ATOM 396 C MET A 34 14.224 -1.839 -3.992 1.00 0.00 C ATOM 397 O MET A 34 14.540 -1.770 -5.187 1.00 0.00 O ATOM 398 CB MET A 34 12.237 -3.404 -3.881 1.00 0.00 C ATOM 399 CG MET A 34 11.261 -2.259 -3.574 1.00 0.00 C ATOM 400 SD MET A 34 9.587 -2.622 -4.124 1.00 0.00 S ATOM 401 CE MET A 34 8.774 -1.062 -3.839 1.00 0.00 C ATOM 0 H MET A 34 12.813 -3.606 -1.507 1.00 0.00 H new ATOM 0 HA MET A 34 14.371 -3.959 -3.723 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.260 -3.562 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.851 -4.320 -3.433 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.255 -2.068 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.610 -1.347 -4.058 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.728 -1.138 -4.135 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.835 -0.808 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.262 -0.285 -4.427 1.00 0.00 H new ATOM 411 N ILE A 35 14.326 -0.811 -3.130 1.00 0.00 N ATOM 412 CA ILE A 35 14.865 0.509 -3.452 1.00 0.00 C ATOM 413 C ILE A 35 16.420 0.483 -3.311 1.00 0.00 C ATOM 414 O ILE A 35 17.143 0.809 -4.259 1.00 0.00 O ATOM 415 CB ILE A 35 14.171 1.629 -2.539 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.005 2.951 -2.489 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.840 1.117 -1.115 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.136 3.693 -3.814 1.00 0.00 C ATOM 0 H ILE A 35 14.023 -0.886 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 35 14.637 0.769 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 35 13.221 1.861 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.548 3.621 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.005 2.716 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.372 1.916 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.157 0.270 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.758 0.803 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.732 4.594 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.624 3.049 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.145 3.968 -4.177 1.00 0.00 H new ATOM 430 N HIS A 36 16.912 0.059 -2.128 1.00 0.00 N ATOM 431 CA HIS A 36 18.370 0.070 -1.779 1.00 0.00 C ATOM 432 C HIS A 36 19.022 -1.329 -1.866 1.00 0.00 C ATOM 433 O HIS A 36 20.198 -1.468 -1.509 1.00 0.00 O ATOM 434 CB HIS A 36 18.621 0.697 -0.353 1.00 0.00 C ATOM 435 CG HIS A 36 17.404 0.919 0.512 1.00 0.00 C ATOM 436 ND1 HIS A 36 16.817 2.144 0.655 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.678 0.068 1.303 1.00 0.00 C ATOM 438 CE1 HIS A 36 15.809 2.024 1.505 1.00 0.00 C ATOM 439 NE2 HIS A 36 15.664 0.785 1.940 1.00 0.00 N ATOM 0 H HIS A 36 16.320 -0.303 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 36 18.848 0.699 -2.530 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.310 0.048 0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.124 1.655 -0.486 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.861 -0.990 1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.177 2.846 1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 36 14.967 0.431 2.595 1.00 0.00 H new ATOM 447 N THR A 37 18.278 -2.340 -2.328 1.00 0.00 N ATOM 448 CA THR A 37 18.706 -3.763 -2.235 1.00 0.00 C ATOM 449 C THR A 37 19.997 -4.031 -3.025 1.00 0.00 C ATOM 450 O THR A 37 20.825 -4.851 -2.603 1.00 0.00 O ATOM 451 CB THR A 37 17.579 -4.758 -2.676 1.00 0.00 C ATOM 452 OG1 THR A 37 18.017 -6.123 -2.535 1.00 0.00 O ATOM 453 CG2 THR A 37 17.097 -4.516 -4.114 1.00 0.00 C ATOM 0 H THR A 37 17.370 -2.210 -2.774 1.00 0.00 H new ATOM 0 HA THR A 37 18.911 -3.943 -1.180 1.00 0.00 H new ATOM 0 HB THR A 37 16.734 -4.573 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.991 -6.567 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.317 -5.235 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.699 -3.505 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.933 -4.636 -4.803 1.00 0.00 H new ATOM 461 N GLY A 38 20.158 -3.351 -4.180 1.00 0.00 N ATOM 462 CA GLY A 38 21.319 -3.547 -5.058 1.00 0.00 C ATOM 463 C GLY A 38 21.173 -4.772 -5.968 1.00 0.00 C ATOM 464 O GLY A 38 21.798 -4.844 -7.033 1.00 0.00 O ATOM 0 H GLY A 38 19.492 -2.659 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.459 -2.658 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 38 22.216 -3.657 -4.448 1.00 0.00 H new ATOM 468 N GLU A 39 20.357 -5.749 -5.522 1.00 0.00 N ATOM 469 CA GLU A 39 20.029 -6.977 -6.241 1.00 0.00 C ATOM 470 C GLU A 39 18.497 -7.086 -6.254 1.00 0.00 C ATOM 471 O GLU A 39 17.905 -7.594 -5.295 1.00 0.00 O ATOM 472 CB GLU A 39 20.677 -8.203 -5.524 1.00 0.00 C ATOM 473 CG GLU A 39 22.196 -8.065 -5.277 1.00 0.00 C ATOM 474 CD GLU A 39 22.783 -9.199 -4.426 1.00 0.00 C ATOM 475 OE1 GLU A 39 22.780 -9.089 -3.183 1.00 0.00 O ATOM 476 OE2 GLU A 39 23.247 -10.211 -4.989 1.00 0.00 O ATOM 0 H GLU A 39 19.895 -5.693 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 39 20.416 -6.960 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.177 -8.355 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.498 -9.096 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.711 -8.038 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.391 -7.113 -4.784 1.00 0.00 H new ATOM 483 N LYS A 40 17.871 -6.496 -7.290 1.00 0.00 N ATOM 484 CA LYS A 40 16.392 -6.484 -7.471 1.00 0.00 C ATOM 485 C LYS A 40 15.821 -7.929 -7.415 1.00 0.00 C ATOM 486 O LYS A 40 16.158 -8.746 -8.288 1.00 0.00 O ATOM 487 CB LYS A 40 16.016 -5.807 -8.816 1.00 0.00 C ATOM 488 CG LYS A 40 16.474 -4.335 -8.943 1.00 0.00 C ATOM 489 CD LYS A 40 16.120 -3.714 -10.318 1.00 0.00 C ATOM 490 CE LYS A 40 16.820 -4.404 -11.505 1.00 0.00 C ATOM 491 NZ LYS A 40 18.297 -4.293 -11.422 1.00 0.00 N ATOM 0 H LYS A 40 18.372 -6.010 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 40 15.952 -5.908 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.453 -6.382 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.934 -5.850 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.010 -3.745 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.552 -4.280 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.041 -3.765 -10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.391 -2.658 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.537 -5.456 -11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.475 -3.958 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.724 -4.695 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.566 -3.292 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.638 -4.814 -10.589 1.00 0.00 H new ATOM 505 N PRO A 41 15.009 -8.284 -6.351 1.00 0.00 N ATOM 506 CA PRO A 41 14.533 -9.675 -6.134 1.00 0.00 C ATOM 507 C PRO A 41 13.628 -10.171 -7.294 1.00 0.00 C ATOM 508 O PRO A 41 14.025 -11.053 -8.073 1.00 0.00 O ATOM 509 CB PRO A 41 13.787 -9.605 -4.759 1.00 0.00 C ATOM 510 CG PRO A 41 13.416 -8.158 -4.591 1.00 0.00 C ATOM 511 CD PRO A 41 14.508 -7.365 -5.283 1.00 0.00 C ATOM 0 HA PRO A 41 15.345 -10.402 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.903 -10.242 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.427 -9.945 -3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.442 -7.951 -5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.349 -7.892 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.120 -6.438 -5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.302 -7.091 -4.589 1.00 0.00 H new ATOM 519 N LEU A 42 12.440 -9.563 -7.418 1.00 0.00 N ATOM 520 CA LEU A 42 11.418 -9.932 -8.407 1.00 0.00 C ATOM 521 C LEU A 42 10.687 -8.655 -8.851 1.00 0.00 C ATOM 522 O LEU A 42 9.762 -8.199 -8.169 1.00 0.00 O ATOM 523 CB LEU A 42 10.418 -10.963 -7.795 1.00 0.00 C ATOM 524 CG LEU A 42 10.979 -12.394 -7.500 1.00 0.00 C ATOM 525 CD1 LEU A 42 9.992 -13.229 -6.655 1.00 0.00 C ATOM 526 CD2 LEU A 42 11.362 -13.114 -8.813 1.00 0.00 C ATOM 0 H LEU A 42 12.157 -8.785 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 42 11.887 -10.402 -9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.031 -10.550 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.572 -11.062 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 42 11.886 -12.283 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.416 -14.216 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.813 -12.727 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.050 -13.334 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.750 -14.107 -8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.481 -13.206 -9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.126 -12.538 -9.334 1.00 0.00 H new ATOM 538 N GLN A 43 11.113 -8.073 -9.987 1.00 0.00 N ATOM 539 CA GLN A 43 10.561 -6.806 -10.507 1.00 0.00 C ATOM 540 C GLN A 43 10.240 -6.932 -12.009 1.00 0.00 C ATOM 541 O GLN A 43 10.968 -7.593 -12.761 1.00 0.00 O ATOM 542 CB GLN A 43 11.558 -5.636 -10.269 1.00 0.00 C ATOM 543 CG GLN A 43 11.057 -4.255 -10.768 1.00 0.00 C ATOM 544 CD GLN A 43 12.102 -3.135 -10.681 1.00 0.00 C ATOM 545 OE1 GLN A 43 12.948 -3.129 -9.799 1.00 0.00 O ATOM 546 NE2 GLN A 43 12.054 -2.189 -11.614 1.00 0.00 N ATOM 0 H GLN A 43 11.850 -8.467 -10.571 1.00 0.00 H new ATOM 0 HA GLN A 43 9.637 -6.591 -9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.771 -5.568 -9.202 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.499 -5.869 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.731 -4.352 -11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.183 -3.966 -10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.335 -2.222 -12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.736 -1.430 -11.607 1.00 0.00 H new ATOM 555 N CYS A 44 9.132 -6.286 -12.421 1.00 0.00 N ATOM 556 CA CYS A 44 8.708 -6.178 -13.827 1.00 0.00 C ATOM 557 C CYS A 44 9.740 -5.385 -14.634 1.00 0.00 C ATOM 558 O CYS A 44 9.894 -4.182 -14.439 1.00 0.00 O ATOM 559 CB CYS A 44 7.321 -5.499 -13.900 1.00 0.00 C ATOM 560 SG CYS A 44 6.807 -4.927 -15.560 1.00 0.00 S ATOM 0 H CYS A 44 8.497 -5.818 -11.774 1.00 0.00 H new ATOM 0 HA CYS A 44 8.635 -7.177 -14.257 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.573 -6.200 -13.529 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.319 -4.644 -13.224 1.00 0.00 H new ATOM 0 HG CYS A 44 6.277 -3.744 -15.466 1.00 0.00 H new ATOM 565 N GLU A 45 10.452 -6.082 -15.532 1.00 0.00 N ATOM 566 CA GLU A 45 11.515 -5.496 -16.372 1.00 0.00 C ATOM 567 C GLU A 45 10.928 -4.840 -17.663 1.00 0.00 C ATOM 568 O GLU A 45 11.595 -4.756 -18.706 1.00 0.00 O ATOM 569 CB GLU A 45 12.544 -6.625 -16.703 1.00 0.00 C ATOM 570 CG GLU A 45 13.905 -6.144 -17.238 1.00 0.00 C ATOM 571 CD GLU A 45 14.854 -7.298 -17.594 1.00 0.00 C ATOM 572 OE1 GLU A 45 14.737 -7.849 -18.708 1.00 0.00 O ATOM 573 OE2 GLU A 45 15.705 -7.679 -16.757 1.00 0.00 O ATOM 0 H GLU A 45 10.307 -7.078 -15.699 1.00 0.00 H new ATOM 0 HA GLU A 45 12.017 -4.693 -15.833 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.715 -7.213 -15.801 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.099 -7.294 -17.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.744 -5.528 -18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.379 -5.509 -16.490 1.00 0.00 H new ATOM 580 N ILE A 46 9.674 -4.339 -17.570 1.00 0.00 N ATOM 581 CA ILE A 46 8.960 -3.688 -18.684 1.00 0.00 C ATOM 582 C ILE A 46 8.689 -2.236 -18.279 1.00 0.00 C ATOM 583 O ILE A 46 9.096 -1.294 -18.965 1.00 0.00 O ATOM 584 CB ILE A 46 7.613 -4.431 -19.021 1.00 0.00 C ATOM 585 CG1 ILE A 46 7.881 -5.919 -19.404 1.00 0.00 C ATOM 586 CG2 ILE A 46 6.835 -3.690 -20.136 1.00 0.00 C ATOM 587 CD1 ILE A 46 8.866 -6.116 -20.546 1.00 0.00 C ATOM 0 H ILE A 46 9.128 -4.378 -16.710 1.00 0.00 H new ATOM 0 HA ILE A 46 9.573 -3.727 -19.585 1.00 0.00 H new ATOM 0 HB ILE A 46 6.989 -4.427 -18.127 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.255 -6.444 -18.525 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.934 -6.386 -19.675 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.909 -4.224 -20.350 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.602 -2.677 -19.806 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.445 -3.647 -21.038 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.989 -7.181 -20.741 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.487 -5.625 -21.442 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.829 -5.683 -20.275 1.00 0.00 H new ATOM 599 N CYS A 47 8.005 -2.075 -17.134 1.00 0.00 N ATOM 600 CA CYS A 47 7.888 -0.801 -16.444 1.00 0.00 C ATOM 601 C CYS A 47 8.653 -1.055 -15.155 1.00 0.00 C ATOM 602 O CYS A 47 9.852 -1.360 -15.215 1.00 0.00 O ATOM 603 CB CYS A 47 6.380 -0.381 -16.259 1.00 0.00 C ATOM 604 SG CYS A 47 5.390 -1.357 -15.065 1.00 0.00 S ATOM 0 H CYS A 47 7.517 -2.839 -16.666 1.00 0.00 H new ATOM 0 HA CYS A 47 8.298 0.053 -16.983 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.354 0.663 -15.948 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.890 -0.436 -17.231 1.00 0.00 H new ATOM 0 HG CYS A 47 5.649 -0.955 -13.856 1.00 0.00 H new ATOM 609 N GLY A 48 8.010 -0.982 -14.012 1.00 0.00 N ATOM 610 CA GLY A 48 8.460 -1.663 -12.810 1.00 0.00 C ATOM 611 C GLY A 48 7.252 -2.106 -11.999 1.00 0.00 C ATOM 612 O GLY A 48 6.153 -1.577 -12.225 1.00 0.00 O ATOM 0 H GLY A 48 7.152 -0.445 -13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.071 -2.526 -13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.087 -0.999 -12.216 1.00 0.00 H new ATOM 616 N PHE A 49 7.430 -3.028 -11.038 1.00 0.00 N ATOM 617 CA PHE A 49 6.368 -3.583 -10.204 1.00 0.00 C ATOM 618 C PHE A 49 7.083 -4.687 -9.457 1.00 0.00 C ATOM 619 O PHE A 49 7.480 -5.682 -10.081 1.00 0.00 O ATOM 620 CB PHE A 49 5.193 -4.176 -11.035 1.00 0.00 C ATOM 621 CG PHE A 49 4.088 -4.856 -10.214 1.00 0.00 C ATOM 622 CD1 PHE A 49 4.164 -6.210 -9.894 1.00 0.00 C ATOM 623 CD2 PHE A 49 2.978 -4.142 -9.766 1.00 0.00 C ATOM 624 CE1 PHE A 49 3.176 -6.832 -9.155 1.00 0.00 C ATOM 625 CE2 PHE A 49 1.990 -4.762 -9.028 1.00 0.00 C ATOM 626 CZ PHE A 49 2.088 -6.105 -8.722 1.00 0.00 C ATOM 0 H PHE A 49 8.348 -3.415 -10.819 1.00 0.00 H new ATOM 0 HA PHE A 49 5.906 -2.826 -9.570 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.745 -3.375 -11.624 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.598 -4.902 -11.740 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.013 -6.786 -10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.890 -3.091 -9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.256 -7.883 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.136 -4.194 -8.688 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.313 -6.585 -8.144 1.00 0.00 H new ATOM 636 N THR A 50 7.247 -4.543 -8.153 1.00 0.00 N ATOM 637 CA THR A 50 8.046 -5.473 -7.379 1.00 0.00 C ATOM 638 C THR A 50 7.129 -6.215 -6.407 1.00 0.00 C ATOM 639 O THR A 50 6.233 -5.620 -5.800 1.00 0.00 O ATOM 640 CB THR A 50 9.190 -4.759 -6.587 1.00 0.00 C ATOM 641 OG1 THR A 50 9.792 -3.736 -7.407 1.00 0.00 O ATOM 642 CG2 THR A 50 10.287 -5.748 -6.135 1.00 0.00 C ATOM 0 H THR A 50 6.834 -3.786 -7.607 1.00 0.00 H new ATOM 0 HA THR A 50 8.522 -6.168 -8.070 1.00 0.00 H new ATOM 0 HB THR A 50 8.740 -4.318 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.006 -2.956 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.061 -5.208 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.848 -6.507 -5.487 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.727 -6.227 -7.009 1.00 0.00 H new ATOM 650 N CYS A 51 7.363 -7.503 -6.291 1.00 0.00 N ATOM 651 CA CYS A 51 6.591 -8.390 -5.410 1.00 0.00 C ATOM 652 C CYS A 51 7.487 -9.474 -4.813 1.00 0.00 C ATOM 653 O CYS A 51 8.593 -9.728 -5.299 1.00 0.00 O ATOM 654 CB CYS A 51 5.420 -9.028 -6.192 1.00 0.00 C ATOM 655 SG CYS A 51 4.371 -10.112 -5.203 1.00 0.00 S ATOM 0 H CYS A 51 8.101 -7.982 -6.807 1.00 0.00 H new ATOM 0 HA CYS A 51 6.185 -7.796 -4.591 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.805 -8.233 -6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.825 -9.598 -7.029 1.00 0.00 H new ATOM 0 HG CYS A 51 3.153 -9.657 -5.204 1.00 0.00 H new ATOM 661 N ARG A 52 6.988 -10.086 -3.733 1.00 0.00 N ATOM 662 CA ARG A 52 7.642 -11.214 -3.057 1.00 0.00 C ATOM 663 C ARG A 52 7.433 -12.519 -3.854 1.00 0.00 C ATOM 664 O ARG A 52 8.288 -13.416 -3.849 1.00 0.00 O ATOM 665 CB ARG A 52 7.047 -11.357 -1.638 1.00 0.00 C ATOM 666 CG ARG A 52 7.719 -12.429 -0.754 1.00 0.00 C ATOM 667 CD ARG A 52 7.046 -12.573 0.618 1.00 0.00 C ATOM 668 NE ARG A 52 6.975 -11.299 1.346 1.00 0.00 N ATOM 669 CZ ARG A 52 6.321 -11.112 2.490 1.00 0.00 C ATOM 670 NH1 ARG A 52 5.732 -12.117 3.122 1.00 0.00 N ATOM 671 NH2 ARG A 52 6.257 -9.901 3.003 1.00 0.00 N ATOM 0 H ARG A 52 6.108 -9.809 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 52 8.714 -11.025 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.117 -10.394 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.987 -11.594 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.692 -13.389 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.769 -12.172 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.039 -12.969 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.598 -13.299 1.215 1.00 0.00 H new ATOM 0 HE ARG A 52 7.463 -10.498 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.774 -13.059 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.237 -11.949 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.705 -9.120 2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.759 -9.744 3.879 1.00 0.00 H new ATOM 685 N GLN A 53 6.280 -12.610 -4.537 1.00 0.00 N ATOM 686 CA GLN A 53 5.894 -13.784 -5.333 1.00 0.00 C ATOM 687 C GLN A 53 6.017 -13.458 -6.829 1.00 0.00 C ATOM 688 O GLN A 53 5.396 -12.500 -7.313 1.00 0.00 O ATOM 689 CB GLN A 53 4.450 -14.220 -4.978 1.00 0.00 C ATOM 690 CG GLN A 53 3.975 -15.510 -5.685 1.00 0.00 C ATOM 691 CD GLN A 53 2.572 -15.961 -5.270 1.00 0.00 C ATOM 692 OE1 GLN A 53 2.127 -15.719 -4.144 1.00 0.00 O ATOM 693 NE2 GLN A 53 1.872 -16.647 -6.163 1.00 0.00 N ATOM 0 H GLN A 53 5.585 -11.864 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 53 6.563 -14.613 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.383 -14.367 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.767 -13.409 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.991 -15.349 -6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.682 -16.312 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.265 -16.832 -7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.941 -16.990 -5.927 1.00 0.00 H new ATOM 702 N LYS A 54 6.837 -14.256 -7.531 1.00 0.00 N ATOM 703 CA LYS A 54 7.064 -14.154 -8.988 1.00 0.00 C ATOM 704 C LYS A 54 5.743 -14.087 -9.773 1.00 0.00 C ATOM 705 O LYS A 54 5.582 -13.224 -10.616 1.00 0.00 O ATOM 706 CB LYS A 54 7.912 -15.359 -9.478 1.00 0.00 C ATOM 707 CG LYS A 54 8.172 -15.413 -11.005 1.00 0.00 C ATOM 708 CD LYS A 54 8.976 -16.663 -11.436 1.00 0.00 C ATOM 709 CE LYS A 54 10.391 -16.694 -10.835 1.00 0.00 C ATOM 710 NZ LYS A 54 11.194 -15.507 -11.242 1.00 0.00 N ATOM 0 H LYS A 54 7.373 -15.007 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 54 7.604 -13.226 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.873 -15.338 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.411 -16.280 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.218 -15.402 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.713 -14.517 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.437 -17.560 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.047 -16.687 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.323 -16.731 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.901 -17.603 -11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.141 -15.566 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.281 -15.485 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.721 -14.640 -10.916 1.00 0.00 H new ATOM 724 N ALA A 55 4.812 -14.994 -9.442 1.00 0.00 N ATOM 725 CA ALA A 55 3.511 -15.134 -10.147 1.00 0.00 C ATOM 726 C ALA A 55 2.715 -13.800 -10.232 1.00 0.00 C ATOM 727 O ALA A 55 1.996 -13.568 -11.208 1.00 0.00 O ATOM 728 CB ALA A 55 2.665 -16.234 -9.492 1.00 0.00 C ATOM 0 H ALA A 55 4.932 -15.657 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 55 3.739 -15.419 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.715 -16.325 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.200 -17.182 -9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.478 -15.977 -8.449 1.00 0.00 H new ATOM 734 N SER A 56 2.869 -12.935 -9.211 1.00 0.00 N ATOM 735 CA SER A 56 2.170 -11.630 -9.156 1.00 0.00 C ATOM 736 C SER A 56 2.607 -10.707 -10.318 1.00 0.00 C ATOM 737 O SER A 56 1.770 -10.266 -11.122 1.00 0.00 O ATOM 738 CB SER A 56 2.424 -10.946 -7.797 1.00 0.00 C ATOM 739 OG SER A 56 1.690 -9.736 -7.665 1.00 0.00 O ATOM 0 H SER A 56 3.473 -13.115 -8.409 1.00 0.00 H new ATOM 0 HA SER A 56 1.101 -11.815 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.149 -11.627 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.489 -10.738 -7.689 1.00 0.00 H new ATOM 0 HG SER A 56 1.877 -9.334 -6.791 1.00 0.00 H new ATOM 745 N LEU A 57 3.928 -10.457 -10.427 1.00 0.00 N ATOM 746 CA LEU A 57 4.500 -9.606 -11.491 1.00 0.00 C ATOM 747 C LEU A 57 4.525 -10.329 -12.840 1.00 0.00 C ATOM 748 O LEU A 57 4.498 -9.682 -13.877 1.00 0.00 O ATOM 749 CB LEU A 57 5.930 -9.109 -11.145 1.00 0.00 C ATOM 750 CG LEU A 57 6.998 -10.215 -10.816 1.00 0.00 C ATOM 751 CD1 LEU A 57 8.365 -9.900 -11.452 1.00 0.00 C ATOM 752 CD2 LEU A 57 7.131 -10.429 -9.290 1.00 0.00 C ATOM 0 H LEU A 57 4.624 -10.836 -9.785 1.00 0.00 H new ATOM 0 HA LEU A 57 3.844 -8.738 -11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.298 -8.519 -11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.860 -8.438 -10.289 1.00 0.00 H new ATOM 0 HG LEU A 57 6.642 -11.146 -11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.074 -10.689 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.257 -9.841 -12.535 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.732 -8.947 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.877 -11.200 -9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.440 -9.497 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.170 -10.742 -8.881 1.00 0.00 H new ATOM 764 N ASN A 58 4.670 -11.654 -12.803 1.00 0.00 N ATOM 765 CA ASN A 58 4.633 -12.537 -13.990 1.00 0.00 C ATOM 766 C ASN A 58 3.386 -12.316 -14.856 1.00 0.00 C ATOM 767 O ASN A 58 3.499 -12.121 -16.071 1.00 0.00 O ATOM 768 CB ASN A 58 4.735 -14.016 -13.550 1.00 0.00 C ATOM 769 CG ASN A 58 4.711 -15.027 -14.704 1.00 0.00 C ATOM 770 OD1 ASN A 58 5.743 -15.365 -15.278 1.00 0.00 O ATOM 771 ND2 ASN A 58 3.537 -15.538 -15.027 1.00 0.00 N ATOM 0 H ASN A 58 4.820 -12.163 -11.932 1.00 0.00 H new ATOM 0 HA ASN A 58 5.491 -12.281 -14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.657 -14.151 -12.985 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.911 -14.238 -12.872 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.470 -16.233 -15.771 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.697 -15.238 -14.533 1.00 0.00 H new ATOM 778 N TRP A 59 2.209 -12.290 -14.219 1.00 0.00 N ATOM 779 CA TRP A 59 0.943 -12.108 -14.947 1.00 0.00 C ATOM 780 C TRP A 59 0.782 -10.629 -15.326 1.00 0.00 C ATOM 781 O TRP A 59 0.361 -10.328 -16.437 1.00 0.00 O ATOM 782 CB TRP A 59 -0.270 -12.621 -14.125 1.00 0.00 C ATOM 783 CG TRP A 59 -0.233 -14.113 -13.814 1.00 0.00 C ATOM 784 CD1 TRP A 59 -0.522 -14.709 -12.613 1.00 0.00 C ATOM 785 CD2 TRP A 59 0.104 -15.195 -14.716 1.00 0.00 C ATOM 786 NE1 TRP A 59 -0.368 -16.066 -12.703 1.00 0.00 N ATOM 787 CE2 TRP A 59 0.017 -16.387 -13.976 1.00 0.00 C ATOM 788 CE3 TRP A 59 0.487 -15.276 -16.069 1.00 0.00 C ATOM 789 CZ2 TRP A 59 0.284 -17.634 -14.539 1.00 0.00 C ATOM 790 CZ3 TRP A 59 0.754 -16.516 -16.622 1.00 0.00 C ATOM 791 CH2 TRP A 59 0.651 -17.676 -15.855 1.00 0.00 C ATOM 0 H TRP A 59 2.105 -12.392 -13.209 1.00 0.00 H new ATOM 0 HA TRP A 59 0.973 -12.705 -15.858 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.318 -12.068 -13.187 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.185 -12.399 -14.674 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.828 -14.182 -11.722 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.516 -16.731 -11.944 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.571 -14.381 -16.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.203 -18.538 -13.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.046 -16.586 -17.660 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.866 -18.631 -16.312 1.00 0.00 H new ATOM 802 N HIS A 60 1.117 -9.726 -14.372 1.00 0.00 N ATOM 803 CA HIS A 60 1.261 -8.267 -14.620 1.00 0.00 C ATOM 804 C HIS A 60 2.098 -7.922 -15.901 1.00 0.00 C ATOM 805 O HIS A 60 1.755 -6.979 -16.622 1.00 0.00 O ATOM 806 CB HIS A 60 1.874 -7.585 -13.352 1.00 0.00 C ATOM 807 CG HIS A 60 2.384 -6.185 -13.561 1.00 0.00 C ATOM 808 ND1 HIS A 60 1.615 -5.054 -13.530 1.00 0.00 N ATOM 809 CD2 HIS A 60 3.615 -5.785 -13.902 1.00 0.00 C ATOM 810 CE1 HIS A 60 2.399 -4.024 -13.875 1.00 0.00 C ATOM 811 NE2 HIS A 60 3.641 -4.414 -14.118 1.00 0.00 N ATOM 0 H HIS A 60 1.296 -9.989 -13.403 1.00 0.00 H new ATOM 0 HA HIS A 60 0.263 -7.875 -14.813 1.00 0.00 H new ATOM 0 HB2 HIS A 60 1.117 -7.566 -12.568 1.00 0.00 H new ATOM 0 HB3 HIS A 60 2.695 -8.203 -12.988 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.470 -6.438 -13.996 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.060 -3.001 -13.946 1.00 0.00 H new ATOM 0 HE2 HIS A 60 4.435 -3.839 -14.399 1.00 0.00 H new ATOM 819 N MET A 61 3.208 -8.642 -16.149 1.00 0.00 N ATOM 820 CA MET A 61 4.034 -8.430 -17.365 1.00 0.00 C ATOM 821 C MET A 61 3.321 -8.937 -18.627 1.00 0.00 C ATOM 822 O MET A 61 3.337 -8.274 -19.667 1.00 0.00 O ATOM 823 CB MET A 61 5.438 -9.067 -17.211 1.00 0.00 C ATOM 824 CG MET A 61 6.337 -8.356 -16.195 1.00 0.00 C ATOM 825 SD MET A 61 7.983 -9.077 -16.062 1.00 0.00 S ATOM 826 CE MET A 61 7.626 -10.703 -15.392 1.00 0.00 C ATOM 0 H MET A 61 3.557 -9.374 -15.530 1.00 0.00 H new ATOM 0 HA MET A 61 4.173 -7.355 -17.482 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.322 -10.109 -16.912 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.934 -9.067 -18.182 1.00 0.00 H new ATOM 0 HG2 MET A 61 6.430 -7.307 -16.476 1.00 0.00 H new ATOM 0 HG3 MET A 61 5.857 -8.382 -15.217 1.00 0.00 H new ATOM 0 HE1 MET A 61 8.557 -11.186 -15.095 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.975 -10.604 -14.523 1.00 0.00 H new ATOM 0 HE3 MET A 61 7.129 -11.308 -16.150 1.00 0.00 H new ATOM 836 N LYS A 62 2.706 -10.119 -18.519 1.00 0.00 N ATOM 837 CA LYS A 62 1.845 -10.680 -19.583 1.00 0.00 C ATOM 838 C LYS A 62 0.628 -9.753 -19.895 1.00 0.00 C ATOM 839 O LYS A 62 0.066 -9.807 -20.994 1.00 0.00 O ATOM 840 CB LYS A 62 1.383 -12.118 -19.214 1.00 0.00 C ATOM 841 CG LYS A 62 0.953 -12.974 -20.431 1.00 0.00 C ATOM 842 CD LYS A 62 0.460 -14.391 -20.045 1.00 0.00 C ATOM 843 CE LYS A 62 -0.867 -14.370 -19.267 1.00 0.00 C ATOM 844 NZ LYS A 62 -1.967 -13.775 -20.062 1.00 0.00 N ATOM 0 H LYS A 62 2.786 -10.718 -17.697 1.00 0.00 H new ATOM 0 HA LYS A 62 2.440 -10.738 -20.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.194 -12.627 -18.694 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.548 -12.052 -18.516 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.159 -12.455 -20.968 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.795 -13.065 -21.117 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.336 -14.986 -20.950 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.222 -14.884 -19.441 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.136 -15.387 -18.981 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.738 -13.803 -18.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.874 -13.947 -19.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.813 -12.751 -20.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.987 -14.210 -21.007 1.00 0.00 H new ATOM 858 N LYS A 63 0.226 -8.939 -18.895 1.00 0.00 N ATOM 859 CA LYS A 63 -0.800 -7.875 -19.080 1.00 0.00 C ATOM 860 C LYS A 63 -0.310 -6.817 -20.108 1.00 0.00 C ATOM 861 O LYS A 63 -1.113 -6.314 -20.911 1.00 0.00 O ATOM 862 CB LYS A 63 -1.205 -7.180 -17.749 1.00 0.00 C ATOM 863 CG LYS A 63 -1.882 -8.088 -16.692 1.00 0.00 C ATOM 864 CD LYS A 63 -3.214 -8.719 -17.165 1.00 0.00 C ATOM 865 CE LYS A 63 -4.309 -7.679 -17.470 1.00 0.00 C ATOM 866 NZ LYS A 63 -5.594 -8.327 -17.801 1.00 0.00 N ATOM 0 H LYS A 63 0.595 -8.994 -17.946 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.692 -8.371 -19.462 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.312 -6.741 -17.304 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.882 -6.358 -17.982 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.192 -8.885 -16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.068 -7.503 -15.791 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.028 -9.313 -18.060 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.576 -9.403 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.441 -7.025 -16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.993 -7.050 -18.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.309 -7.599 -18.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.472 -8.932 -18.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.907 -8.908 -16.997 1.00 0.00 H new ATOM 880 N HIS A 64 1.004 -6.473 -20.072 1.00 0.00 N ATOM 881 CA HIS A 64 1.648 -5.602 -21.104 1.00 0.00 C ATOM 882 C HIS A 64 1.655 -6.292 -22.489 1.00 0.00 C ATOM 883 O HIS A 64 1.662 -5.612 -23.524 1.00 0.00 O ATOM 884 CB HIS A 64 3.122 -5.232 -20.737 1.00 0.00 C ATOM 885 CG HIS A 64 3.331 -4.435 -19.473 1.00 0.00 C ATOM 886 ND1 HIS A 64 3.121 -3.078 -19.385 1.00 0.00 N ATOM 887 CD2 HIS A 64 3.862 -4.800 -18.275 1.00 0.00 C ATOM 888 CE1 HIS A 64 3.533 -2.671 -18.181 1.00 0.00 C ATOM 889 NE2 HIS A 64 3.993 -3.680 -17.471 1.00 0.00 N ATOM 0 H HIS A 64 1.643 -6.784 -19.340 1.00 0.00 H new ATOM 0 HA HIS A 64 1.052 -4.690 -21.138 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.693 -6.157 -20.653 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.547 -4.669 -21.568 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.138 -5.806 -17.995 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.494 -1.649 -17.835 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.369 -3.644 -16.523 1.00 0.00 H new ATOM 1020 N SER A 73 -8.238 3.183 -24.722 1.00 0.00 N ATOM 1021 CA SER A 73 -8.618 4.177 -23.727 1.00 0.00 C ATOM 1022 C SER A 73 -9.677 5.100 -24.321 1.00 0.00 C ATOM 1023 O SER A 73 -9.455 5.726 -25.360 1.00 0.00 O ATOM 1024 CB SER A 73 -7.375 4.983 -23.263 1.00 0.00 C ATOM 1025 OG SER A 73 -6.637 5.479 -24.370 1.00 0.00 O ATOM 0 HA SER A 73 -9.033 3.677 -22.852 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.693 5.814 -22.634 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.734 4.347 -22.652 1.00 0.00 H new ATOM 0 HG SER A 73 -6.684 4.837 -25.109 1.00 0.00 H new ATOM 1031 N CYS A 74 -10.837 5.151 -23.676 1.00 0.00 N ATOM 1032 CA CYS A 74 -11.846 6.183 -23.951 1.00 0.00 C ATOM 1033 C CYS A 74 -11.335 7.526 -23.383 1.00 0.00 C ATOM 1034 O CYS A 74 -10.838 7.563 -22.251 1.00 0.00 O ATOM 1035 CB CYS A 74 -13.217 5.824 -23.333 1.00 0.00 C ATOM 1036 SG CYS A 74 -14.268 7.286 -23.067 1.00 0.00 S ATOM 0 H CYS A 74 -11.109 4.486 -22.952 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.994 6.257 -25.028 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.735 5.123 -23.988 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.061 5.315 -22.382 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.519 6.933 -23.097 1.00 0.00 H new ATOM 1041 N ASN A 75 -11.479 8.605 -24.173 1.00 0.00 N ATOM 1042 CA ASN A 75 -10.945 9.955 -23.843 1.00 0.00 C ATOM 1043 C ASN A 75 -11.505 10.531 -22.522 1.00 0.00 C ATOM 1044 O ASN A 75 -10.838 11.327 -21.852 1.00 0.00 O ATOM 1045 CB ASN A 75 -11.248 10.929 -25.011 1.00 0.00 C ATOM 1046 CG ASN A 75 -10.627 10.484 -26.336 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -11.241 9.741 -27.107 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -9.408 10.928 -26.607 1.00 0.00 N ATOM 0 H ASN A 75 -11.971 8.573 -25.066 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.870 9.845 -23.702 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.328 11.016 -25.133 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.875 11.921 -24.756 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.948 10.657 -27.476 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.930 11.541 -25.947 1.00 0.00 H new ATOM 1055 N ILE A 76 -12.718 10.104 -22.144 1.00 0.00 N ATOM 1056 CA ILE A 76 -13.470 10.711 -21.031 1.00 0.00 C ATOM 1057 C ILE A 76 -13.601 9.715 -19.871 1.00 0.00 C ATOM 1058 O ILE A 76 -13.506 10.092 -18.701 1.00 0.00 O ATOM 1059 CB ILE A 76 -14.905 11.197 -21.494 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -14.817 11.956 -22.874 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -15.579 12.065 -20.396 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -15.994 12.855 -23.203 1.00 0.00 C ATOM 0 H ILE A 76 -13.206 9.332 -22.597 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.913 11.585 -20.693 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.536 10.321 -21.642 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.909 12.559 -22.879 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.714 11.217 -23.669 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.563 12.386 -20.739 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.686 11.479 -19.483 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.962 12.940 -20.194 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.831 13.327 -24.172 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -16.907 12.261 -23.238 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.090 13.624 -22.436 1.00 0.00 H new ATOM 1074 N CYS A 77 -13.812 8.425 -20.222 1.00 0.00 N ATOM 1075 CA CYS A 77 -14.010 7.356 -19.240 1.00 0.00 C ATOM 1076 C CYS A 77 -13.494 6.035 -19.828 1.00 0.00 C ATOM 1077 O CYS A 77 -14.276 5.177 -20.250 1.00 0.00 O ATOM 1078 CB CYS A 77 -15.499 7.272 -18.791 1.00 0.00 C ATOM 1079 SG CYS A 77 -16.730 6.659 -20.018 1.00 0.00 S ATOM 0 H CYS A 77 -13.848 8.107 -21.190 1.00 0.00 H new ATOM 0 HA CYS A 77 -13.438 7.574 -18.338 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -15.549 6.626 -17.914 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -15.810 8.267 -18.472 1.00 0.00 H new ATOM 0 HG CYS A 77 -16.213 5.679 -20.698 1.00 0.00 H new ATOM 1084 N GLY A 78 -12.160 6.011 -20.066 1.00 0.00 N ATOM 1085 CA GLY A 78 -11.373 4.798 -20.383 1.00 0.00 C ATOM 1086 C GLY A 78 -11.792 3.513 -19.675 1.00 0.00 C ATOM 1087 O GLY A 78 -11.169 3.100 -18.694 1.00 0.00 O ATOM 0 H GLY A 78 -11.589 6.856 -20.042 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.425 4.628 -21.458 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.329 4.996 -20.142 1.00 0.00 H new ATOM 1091 N LYS A 79 -12.875 2.910 -20.179 1.00 0.00 N ATOM 1092 CA LYS A 79 -13.362 1.600 -19.745 1.00 0.00 C ATOM 1093 C LYS A 79 -12.381 0.476 -20.165 1.00 0.00 C ATOM 1094 O LYS A 79 -12.287 -0.540 -19.470 1.00 0.00 O ATOM 1095 CB LYS A 79 -14.792 1.385 -20.333 1.00 0.00 C ATOM 1096 CG LYS A 79 -15.643 0.311 -19.625 1.00 0.00 C ATOM 1097 CD LYS A 79 -15.346 -1.134 -20.098 1.00 0.00 C ATOM 1098 CE LYS A 79 -16.010 -2.200 -19.219 1.00 0.00 C ATOM 1099 NZ LYS A 79 -15.568 -3.563 -19.586 1.00 0.00 N ATOM 0 H LYS A 79 -13.446 3.328 -20.913 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.419 1.563 -18.657 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.329 2.333 -20.295 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.697 1.114 -21.385 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.471 0.374 -18.551 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.698 0.528 -19.792 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.690 -1.252 -21.125 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.268 -1.295 -20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.772 -2.009 -18.173 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.093 -2.130 -19.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.038 -4.258 -18.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.818 -3.754 -20.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.537 -3.637 -19.468 1.00 0.00 H new ATOM 1113 N LYS A 80 -11.644 0.707 -21.291 1.00 0.00 N ATOM 1114 CA LYS A 80 -10.733 -0.275 -21.925 1.00 0.00 C ATOM 1115 C LYS A 80 -11.541 -1.356 -22.665 1.00 0.00 C ATOM 1116 O LYS A 80 -12.240 -2.175 -22.056 1.00 0.00 O ATOM 1117 CB LYS A 80 -9.698 -0.908 -20.932 1.00 0.00 C ATOM 1118 CG LYS A 80 -8.442 -0.050 -20.640 1.00 0.00 C ATOM 1119 CD LYS A 80 -8.741 1.388 -20.174 1.00 0.00 C ATOM 1120 CE LYS A 80 -7.476 2.138 -19.725 1.00 0.00 C ATOM 1121 NZ LYS A 80 -6.405 2.138 -20.760 1.00 0.00 N ATOM 0 H LYS A 80 -11.672 1.598 -21.786 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.135 0.278 -22.649 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.204 -1.112 -19.989 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.375 -1.868 -21.335 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.847 -0.549 -19.875 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.831 -0.006 -21.541 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.216 1.938 -20.986 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.453 1.358 -19.350 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.738 3.167 -19.480 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.093 1.681 -18.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.665 2.819 -20.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.991 1.187 -20.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.810 2.409 -21.679 1.00 0.00 H new ATOM 1135 N PHE A 81 -11.435 -1.317 -23.998 1.00 0.00 N ATOM 1136 CA PHE A 81 -12.184 -2.187 -24.921 1.00 0.00 C ATOM 1137 C PHE A 81 -11.193 -3.076 -25.694 1.00 0.00 C ATOM 1138 O PHE A 81 -10.018 -2.730 -25.817 1.00 0.00 O ATOM 1139 CB PHE A 81 -13.023 -1.310 -25.891 1.00 0.00 C ATOM 1140 CG PHE A 81 -13.967 -0.329 -25.185 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -15.266 -0.696 -24.840 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -13.543 0.963 -24.853 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -16.107 0.190 -24.194 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -14.387 1.849 -24.209 1.00 0.00 C ATOM 1145 CZ PHE A 81 -15.667 1.461 -23.880 1.00 0.00 C ATOM 0 H PHE A 81 -10.813 -0.667 -24.479 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.866 -2.830 -24.364 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -12.346 -0.748 -26.534 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -13.610 -1.962 -26.538 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -15.621 -1.687 -25.081 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -12.539 1.273 -25.104 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.111 -0.112 -23.934 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -14.043 2.843 -23.964 1.00 0.00 H new ATOM 0 HZ PHE A 81 -16.327 2.151 -23.376 1.00 0.00 H new ATOM 1155 N GLU A 82 -11.663 -4.233 -26.185 1.00 0.00 N ATOM 1156 CA GLU A 82 -10.817 -5.195 -26.918 1.00 0.00 C ATOM 1157 C GLU A 82 -10.408 -4.686 -28.322 1.00 0.00 C ATOM 1158 O GLU A 82 -9.333 -5.048 -28.816 1.00 0.00 O ATOM 1159 CB GLU A 82 -11.514 -6.589 -27.014 1.00 0.00 C ATOM 1160 CG GLU A 82 -12.746 -6.695 -27.955 1.00 0.00 C ATOM 1161 CD GLU A 82 -13.996 -5.948 -27.459 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -14.092 -4.728 -27.674 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -14.889 -6.579 -26.852 1.00 0.00 O ATOM 0 H GLU A 82 -12.634 -4.529 -26.087 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.897 -5.302 -26.344 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.772 -7.317 -27.342 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.826 -6.882 -26.012 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.472 -6.307 -28.936 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.996 -7.748 -28.087 1.00 0.00 H new ATOM 1170 N LYS A 83 -11.262 -3.855 -28.961 1.00 0.00 N ATOM 1171 CA LYS A 83 -11.010 -3.341 -30.310 1.00 0.00 C ATOM 1172 C LYS A 83 -11.324 -1.841 -30.363 1.00 0.00 C ATOM 1173 O LYS A 83 -12.183 -1.341 -29.613 1.00 0.00 O ATOM 1174 CB LYS A 83 -11.839 -4.149 -31.352 1.00 0.00 C ATOM 1175 CG LYS A 83 -13.364 -4.143 -31.110 1.00 0.00 C ATOM 1176 CD LYS A 83 -14.140 -5.075 -32.076 1.00 0.00 C ATOM 1177 CE LYS A 83 -15.662 -5.029 -31.856 1.00 0.00 C ATOM 1178 NZ LYS A 83 -16.392 -5.888 -32.827 1.00 0.00 N ATOM 0 H LYS A 83 -12.138 -3.528 -28.552 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.957 -3.467 -30.561 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.641 -3.745 -32.345 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.489 -5.181 -31.352 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.563 -4.448 -30.083 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.738 -3.125 -31.219 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.918 -4.791 -33.105 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.790 -6.099 -31.945 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.891 -5.353 -30.841 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.011 -4.000 -31.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.414 -5.828 -32.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.194 -5.563 -33.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.079 -6.874 -32.722 1.00 0.00 H new ATOM 1192 N LYS A 84 -10.612 -1.138 -31.258 1.00 0.00 N ATOM 1193 CA LYS A 84 -10.788 0.307 -31.500 1.00 0.00 C ATOM 1194 C LYS A 84 -12.208 0.615 -31.980 1.00 0.00 C ATOM 1195 O LYS A 84 -12.728 1.695 -31.705 1.00 0.00 O ATOM 1196 CB LYS A 84 -9.768 0.818 -32.551 1.00 0.00 C ATOM 1197 CG LYS A 84 -8.287 0.782 -32.119 1.00 0.00 C ATOM 1198 CD LYS A 84 -7.334 1.330 -33.213 1.00 0.00 C ATOM 1199 CE LYS A 84 -7.595 2.815 -33.557 1.00 0.00 C ATOM 1200 NZ LYS A 84 -6.744 3.298 -34.676 1.00 0.00 N ATOM 0 H LYS A 84 -9.889 -1.560 -31.842 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.615 0.820 -30.554 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.878 0.222 -33.457 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.026 1.844 -32.812 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.164 1.368 -31.208 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.007 -0.244 -31.879 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.303 1.217 -32.878 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.444 0.729 -34.116 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.645 2.944 -33.821 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.411 3.427 -32.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.957 4.298 -34.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.742 3.201 -34.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.937 2.734 -35.528 1.00 0.00 H new ATOM 1214 N ASP A 85 -12.820 -0.353 -32.689 1.00 0.00 N ATOM 1215 CA ASP A 85 -14.229 -0.275 -33.122 1.00 0.00 C ATOM 1216 C ASP A 85 -15.154 0.017 -31.928 1.00 0.00 C ATOM 1217 O ASP A 85 -16.003 0.905 -32.001 1.00 0.00 O ATOM 1218 CB ASP A 85 -14.648 -1.593 -33.823 1.00 0.00 C ATOM 1219 CG ASP A 85 -16.152 -1.654 -34.182 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -16.585 -0.973 -35.127 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -16.914 -2.369 -33.489 1.00 0.00 O ATOM 0 H ASP A 85 -12.351 -1.212 -32.978 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.325 0.546 -33.833 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -14.061 -1.713 -34.733 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.404 -2.434 -33.173 1.00 0.00 H new ATOM 1226 N SER A 86 -14.937 -0.707 -30.808 1.00 0.00 N ATOM 1227 CA SER A 86 -15.732 -0.546 -29.590 1.00 0.00 C ATOM 1228 C SER A 86 -15.494 0.822 -28.907 1.00 0.00 C ATOM 1229 O SER A 86 -16.402 1.359 -28.275 1.00 0.00 O ATOM 1230 CB SER A 86 -15.432 -1.700 -28.634 1.00 0.00 C ATOM 1231 OG SER A 86 -15.779 -2.938 -29.221 1.00 0.00 O ATOM 0 H SER A 86 -14.206 -1.415 -30.732 1.00 0.00 H new ATOM 0 HA SER A 86 -16.786 -0.568 -29.867 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.373 -1.699 -28.375 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.987 -1.564 -27.706 1.00 0.00 H new ATOM 0 HG SER A 86 -15.273 -3.658 -28.790 1.00 0.00 H new ATOM 1237 N VAL A 87 -14.271 1.380 -29.051 1.00 0.00 N ATOM 1238 CA VAL A 87 -13.873 2.651 -28.390 1.00 0.00 C ATOM 1239 C VAL A 87 -14.540 3.848 -29.101 1.00 0.00 C ATOM 1240 O VAL A 87 -15.124 4.732 -28.461 1.00 0.00 O ATOM 1241 CB VAL A 87 -12.299 2.856 -28.382 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -11.894 4.115 -27.563 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -11.555 1.594 -27.869 1.00 0.00 C ATOM 0 H VAL A 87 -13.534 0.968 -29.624 1.00 0.00 H new ATOM 0 HA VAL A 87 -14.209 2.594 -27.355 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.993 3.017 -29.416 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.810 4.226 -27.578 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.355 4.999 -28.003 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.233 4.004 -26.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.480 1.776 -27.879 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.876 1.371 -26.851 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.786 0.747 -28.516 1.00 0.00 H new ATOM 1253 N VAL A 88 -14.453 3.808 -30.437 1.00 0.00 N ATOM 1254 CA VAL A 88 -14.925 4.877 -31.340 1.00 0.00 C ATOM 1255 C VAL A 88 -16.454 4.870 -31.391 1.00 0.00 C ATOM 1256 O VAL A 88 -17.085 5.933 -31.420 1.00 0.00 O ATOM 1257 CB VAL A 88 -14.325 4.705 -32.792 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -14.862 5.786 -33.769 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -12.773 4.711 -32.752 1.00 0.00 C ATOM 0 H VAL A 88 -14.045 3.017 -30.935 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.581 5.835 -30.950 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.653 3.737 -33.170 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.426 5.633 -34.756 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.947 5.709 -33.836 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.590 6.776 -33.402 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.383 4.591 -33.763 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.423 5.657 -32.338 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.422 3.889 -32.128 1.00 0.00 H new ATOM 1269 N ALA A 89 -17.026 3.649 -31.360 1.00 0.00 N ATOM 1270 CA ALA A 89 -18.488 3.453 -31.328 1.00 0.00 C ATOM 1271 C ALA A 89 -19.046 3.999 -30.005 1.00 0.00 C ATOM 1272 O ALA A 89 -20.069 4.679 -29.988 1.00 0.00 O ATOM 1273 CB ALA A 89 -18.865 1.970 -31.501 1.00 0.00 C ATOM 0 H ALA A 89 -16.493 2.780 -31.356 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.928 3.998 -32.163 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -19.950 1.865 -31.472 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.491 1.609 -32.459 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -18.422 1.386 -30.695 1.00 0.00 H new ATOM 1279 N HIS A 90 -18.297 3.735 -28.911 1.00 0.00 N ATOM 1280 CA HIS A 90 -18.676 4.161 -27.542 1.00 0.00 C ATOM 1281 C HIS A 90 -18.585 5.692 -27.386 1.00 0.00 C ATOM 1282 O HIS A 90 -19.395 6.304 -26.691 1.00 0.00 O ATOM 1283 CB HIS A 90 -17.769 3.438 -26.502 1.00 0.00 C ATOM 1284 CG HIS A 90 -17.711 4.078 -25.146 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -18.648 3.899 -24.164 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -16.781 4.914 -24.630 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -18.270 4.616 -23.104 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -17.133 5.250 -23.334 1.00 0.00 N ATOM 0 H HIS A 90 -17.416 3.223 -28.950 1.00 0.00 H new ATOM 0 HA HIS A 90 -19.714 3.881 -27.363 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -18.122 2.413 -26.387 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -16.757 3.383 -26.903 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -19.486 3.321 -24.231 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -15.901 5.265 -25.148 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.822 4.671 -22.177 1.00 0.00 H new ATOM 1296 N LYS A 91 -17.568 6.285 -28.017 1.00 0.00 N ATOM 1297 CA LYS A 91 -17.307 7.732 -27.969 1.00 0.00 C ATOM 1298 C LYS A 91 -18.383 8.484 -28.774 1.00 0.00 C ATOM 1299 O LYS A 91 -18.877 9.516 -28.345 1.00 0.00 O ATOM 1300 CB LYS A 91 -15.887 8.019 -28.520 1.00 0.00 C ATOM 1301 CG LYS A 91 -15.461 9.501 -28.457 1.00 0.00 C ATOM 1302 CD LYS A 91 -14.032 9.729 -29.002 1.00 0.00 C ATOM 1303 CE LYS A 91 -13.608 11.207 -28.968 1.00 0.00 C ATOM 1304 NZ LYS A 91 -12.236 11.395 -29.509 1.00 0.00 N ATOM 0 H LYS A 91 -16.893 5.771 -28.583 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.352 8.083 -26.938 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.167 7.423 -27.959 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.839 7.685 -29.556 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.166 10.103 -29.031 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.512 9.847 -27.425 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.327 9.140 -28.416 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.977 9.364 -30.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.313 11.802 -29.548 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.649 11.574 -27.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.028 12.411 -29.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.547 10.945 -28.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.172 10.960 -30.452 1.00 0.00 H new ATOM 1318 N ALA A 92 -18.748 7.924 -29.939 1.00 0.00 N ATOM 1319 CA ALA A 92 -19.815 8.470 -30.801 1.00 0.00 C ATOM 1320 C ALA A 92 -21.198 8.353 -30.124 1.00 0.00 C ATOM 1321 O ALA A 92 -22.096 9.167 -30.360 1.00 0.00 O ATOM 1322 CB ALA A 92 -19.821 7.740 -32.154 1.00 0.00 C ATOM 0 H ALA A 92 -18.313 7.080 -30.312 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.612 9.528 -30.965 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.611 8.148 -32.784 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -18.858 7.876 -32.645 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -19.999 6.677 -31.993 1.00 0.00 H new ATOM 1328 N LYS A 93 -21.331 7.332 -29.267 1.00 0.00 N ATOM 1329 CA LYS A 93 -22.579 6.968 -28.599 1.00 0.00 C ATOM 1330 C LYS A 93 -22.814 7.843 -27.359 1.00 0.00 C ATOM 1331 O LYS A 93 -23.856 8.498 -27.221 1.00 0.00 O ATOM 1332 CB LYS A 93 -22.465 5.469 -28.210 1.00 0.00 C ATOM 1333 CG LYS A 93 -23.548 4.921 -27.277 1.00 0.00 C ATOM 1334 CD LYS A 93 -23.306 3.437 -26.918 1.00 0.00 C ATOM 1335 CE LYS A 93 -24.347 2.865 -25.946 1.00 0.00 C ATOM 1336 NZ LYS A 93 -25.712 2.857 -26.525 1.00 0.00 N ATOM 0 H LYS A 93 -20.552 6.724 -29.016 1.00 0.00 H new ATOM 0 HA LYS A 93 -23.431 7.129 -29.260 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -22.472 4.877 -29.126 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -21.496 5.312 -27.737 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -23.574 5.515 -26.364 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -24.523 5.025 -27.753 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -23.311 2.845 -27.833 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -22.314 3.335 -26.477 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -24.065 1.848 -25.672 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -24.347 3.454 -25.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -26.372 2.416 -25.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -26.014 3.834 -26.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -25.709 2.316 -27.413 1.00 0.00 H new ATOM 1350 N SER A 94 -21.803 7.871 -26.480 1.00 0.00 N ATOM 1351 CA SER A 94 -21.921 8.399 -25.120 1.00 0.00 C ATOM 1352 C SER A 94 -21.312 9.807 -25.015 1.00 0.00 C ATOM 1353 O SER A 94 -21.568 10.520 -24.035 1.00 0.00 O ATOM 1354 CB SER A 94 -21.222 7.418 -24.133 1.00 0.00 C ATOM 1355 OG SER A 94 -21.405 7.799 -22.776 1.00 0.00 O ATOM 0 H SER A 94 -20.870 7.522 -26.699 1.00 0.00 H new ATOM 0 HA SER A 94 -22.976 8.485 -24.861 1.00 0.00 H new ATOM 0 HB2 SER A 94 -21.616 6.413 -24.283 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.156 7.379 -24.357 1.00 0.00 H new ATOM 0 HG SER A 94 -20.952 7.156 -22.192 1.00 0.00 H new ATOM 1361 N HIS A 95 -20.499 10.211 -26.025 1.00 0.00 N ATOM 1362 CA HIS A 95 -19.732 11.486 -25.975 1.00 0.00 C ATOM 1363 C HIS A 95 -19.771 12.272 -27.334 1.00 0.00 C ATOM 1364 O HIS A 95 -18.705 12.619 -27.868 1.00 0.00 O ATOM 1365 CB HIS A 95 -18.245 11.205 -25.573 1.00 0.00 C ATOM 1366 CG HIS A 95 -18.057 10.279 -24.401 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -18.616 10.469 -23.155 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -17.363 9.127 -24.321 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -18.241 9.442 -22.376 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -17.488 8.602 -23.049 1.00 0.00 N ATOM 0 H HIS A 95 -20.357 9.675 -26.881 1.00 0.00 H new ATOM 0 HA HIS A 95 -20.212 12.113 -25.223 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -17.727 10.783 -26.434 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -17.762 12.155 -25.345 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -19.209 11.250 -22.875 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -16.797 8.683 -25.126 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -18.520 9.323 -21.339 1.00 0.00 H new