USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.351 (180deg=-1.45) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0472 (180deg=-0.295) USER MOD Single : A 3 SER OG : rot -23:sc= 1.42 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0275 (180deg=-0.256) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.182 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.593 F(o=-3!,f=-0.59) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.08) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0349) USER MOD Single : A 19 HIS : no HD1:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -168:sc= -0.427 (180deg=-0.601) USER MOD Single : A 31 MET CE :methyl -130:sc= -3.33! (180deg=-6.15!) USER MOD Single : A 34 THR OG1 : rot -73:sc= 0.183 USER MOD Single : A 37 CYS SG : rot -65:sc= 2.26 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 2.33 (180deg=1.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 69 MET CE :methyl -134:sc= -3.96! (180deg=-6.73!) USER MOD Single : A 76 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.41) USER MOD Single : A 77 HIS :FLIP no HE2:sc= 0.226 F(o=-0.83,f=0.23) USER MOD Single : A 78 HIS :FLIP no HE2:sc= 0.11 F(o=-0.46,f=0.11) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.29) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.168 7.220 13.062 1.00 11.42 N ATOM 2 CA MET A 1 -0.287 7.091 11.595 1.00 65.11 C ATOM 3 C MET A 1 -0.811 5.707 11.227 1.00 5.44 C ATOM 4 O MET A 1 -0.752 4.776 12.036 1.00 3.22 O ATOM 5 CB MET A 1 1.069 7.372 10.921 1.00 30.44 C ATOM 6 CG MET A 1 2.190 6.406 11.290 1.00 2.51 C ATOM 7 SD MET A 1 2.131 4.861 10.360 1.00 2.21 S ATOM 8 CE MET A 1 2.326 5.460 8.681 1.00 54.41 C ATOM 0 H1 MET A 1 0.704 7.737 13.295 1.00 11.42 H new ATOM 0 H2 MET A 1 -0.989 7.741 13.432 1.00 11.42 H new ATOM 0 H3 MET A 1 -0.135 6.274 13.492 1.00 11.42 H new ATOM 0 HA MET A 1 -1.002 7.829 11.232 1.00 65.11 H new ATOM 0 HB2 MET A 1 0.931 7.348 9.840 1.00 30.44 H new ATOM 0 HB3 MET A 1 1.383 8.383 11.180 1.00 30.44 H new ATOM 0 HG2 MET A 1 3.151 6.891 11.116 1.00 2.51 H new ATOM 0 HG3 MET A 1 2.133 6.184 12.356 1.00 2.51 H new ATOM 0 HE1 MET A 1 2.795 4.688 8.071 1.00 54.41 H new ATOM 0 HE2 MET A 1 1.348 5.706 8.267 1.00 54.41 H new ATOM 0 HE3 MET A 1 2.954 6.351 8.683 1.00 54.41 H new ATOM 18 N PHE A 2 -1.332 5.579 10.016 1.00 4.51 N ATOM 19 CA PHE A 2 -1.908 4.324 9.559 1.00 2.01 C ATOM 20 C PHE A 2 -1.025 3.720 8.479 1.00 25.04 C ATOM 21 O PHE A 2 -0.923 4.259 7.378 1.00 3.10 O ATOM 22 CB PHE A 2 -3.324 4.549 9.019 1.00 24.25 C ATOM 23 CG PHE A 2 -4.104 3.281 8.808 1.00 22.34 C ATOM 24 CD1 PHE A 2 -4.034 2.594 7.605 1.00 31.22 C ATOM 25 CD2 PHE A 2 -4.915 2.782 9.813 1.00 41.05 C ATOM 26 CE1 PHE A 2 -4.751 1.431 7.413 1.00 61.21 C ATOM 27 CE2 PHE A 2 -5.637 1.618 9.627 1.00 4.04 C ATOM 28 CZ PHE A 2 -5.557 0.943 8.423 1.00 12.42 C ATOM 0 H PHE A 2 -1.368 6.333 9.330 1.00 4.51 H new ATOM 0 HA PHE A 2 -1.967 3.635 10.401 1.00 2.01 H new ATOM 0 HB2 PHE A 2 -3.870 5.188 9.713 1.00 24.25 H new ATOM 0 HB3 PHE A 2 -3.260 5.087 8.073 1.00 24.25 H new ATOM 0 HD1 PHE A 2 -3.411 2.974 6.809 1.00 31.22 H new ATOM 0 HD2 PHE A 2 -4.984 3.308 10.753 1.00 41.05 H new ATOM 0 HE1 PHE A 2 -4.682 0.903 6.474 1.00 61.21 H new ATOM 0 HE2 PHE A 2 -6.262 1.237 10.421 1.00 4.04 H new ATOM 0 HZ PHE A 2 -6.124 0.036 8.273 1.00 12.42 H new ATOM 38 N SER A 3 -0.381 2.609 8.801 1.00 1.45 N ATOM 39 CA SER A 3 0.539 1.970 7.878 1.00 13.14 C ATOM 40 C SER A 3 -0.202 1.030 6.928 1.00 61.42 C ATOM 41 O SER A 3 -1.271 0.509 7.257 1.00 0.32 O ATOM 42 CB SER A 3 1.601 1.194 8.657 1.00 34.15 C ATOM 43 OG SER A 3 2.121 1.967 9.725 1.00 2.13 O ATOM 0 H SER A 3 -0.480 2.132 9.697 1.00 1.45 H new ATOM 0 HA SER A 3 1.021 2.746 7.283 1.00 13.14 H new ATOM 0 HB2 SER A 3 1.168 0.273 9.048 1.00 34.15 H new ATOM 0 HB3 SER A 3 2.410 0.906 7.986 1.00 34.15 H new ATOM 0 HG SER A 3 1.989 2.919 9.534 1.00 2.13 H new ATOM 49 N LEU A 4 0.389 0.805 5.761 1.00 62.31 N ATOM 50 CA LEU A 4 -0.194 -0.055 4.737 1.00 64.22 C ATOM 51 C LEU A 4 -0.361 -1.489 5.239 1.00 73.12 C ATOM 52 O LEU A 4 -1.281 -2.195 4.833 1.00 72.24 O ATOM 53 CB LEU A 4 0.691 -0.034 3.484 1.00 54.55 C ATOM 54 CG LEU A 4 0.195 -0.882 2.311 1.00 63.14 C ATOM 55 CD1 LEU A 4 -1.179 -0.422 1.854 1.00 35.22 C ATOM 56 CD2 LEU A 4 1.182 -0.819 1.158 1.00 24.31 C ATOM 0 H LEU A 4 1.286 1.213 5.497 1.00 62.31 H new ATOM 0 HA LEU A 4 -1.185 0.328 4.493 1.00 64.22 H new ATOM 0 HB2 LEU A 4 0.789 0.998 3.147 1.00 54.55 H new ATOM 0 HB3 LEU A 4 1.689 -0.375 3.760 1.00 54.55 H new ATOM 0 HG LEU A 4 0.115 -1.915 2.648 1.00 63.14 H new ATOM 0 HD11 LEU A 4 -1.511 -1.040 1.019 1.00 35.22 H new ATOM 0 HD12 LEU A 4 -1.887 -0.515 2.678 1.00 35.22 H new ATOM 0 HD13 LEU A 4 -1.127 0.619 1.536 1.00 35.22 H new ATOM 0 HD21 LEU A 4 0.815 -1.427 0.331 1.00 24.31 H new ATOM 0 HD22 LEU A 4 1.291 0.214 0.828 1.00 24.31 H new ATOM 0 HD23 LEU A 4 2.150 -1.199 1.486 1.00 24.31 H new ATOM 68 N ARG A 5 0.517 -1.899 6.148 1.00 73.41 N ATOM 69 CA ARG A 5 0.509 -3.264 6.671 1.00 61.43 C ATOM 70 C ARG A 5 -0.711 -3.551 7.544 1.00 61.13 C ATOM 71 O ARG A 5 -0.916 -4.684 7.977 1.00 12.51 O ATOM 72 CB ARG A 5 1.800 -3.548 7.456 1.00 50.20 C ATOM 73 CG ARG A 5 2.180 -2.479 8.478 1.00 24.32 C ATOM 74 CD ARG A 5 1.296 -2.498 9.722 1.00 73.31 C ATOM 75 NE ARG A 5 1.705 -1.473 10.679 1.00 41.11 N ATOM 76 CZ ARG A 5 0.903 -0.910 11.584 1.00 11.03 C ATOM 77 NH1 ARG A 5 -0.352 -1.322 11.727 1.00 71.33 N ATOM 78 NH2 ARG A 5 1.374 0.057 12.361 1.00 32.14 N ATOM 0 H ARG A 5 1.247 -1.304 6.540 1.00 73.41 H new ATOM 0 HA ARG A 5 0.454 -3.931 5.810 1.00 61.43 H new ATOM 0 HB2 ARG A 5 1.691 -4.502 7.973 1.00 50.20 H new ATOM 0 HB3 ARG A 5 2.621 -3.661 6.748 1.00 50.20 H new ATOM 0 HG2 ARG A 5 3.219 -2.622 8.776 1.00 24.32 H new ATOM 0 HG3 ARG A 5 2.116 -1.497 8.009 1.00 24.32 H new ATOM 0 HD2 ARG A 5 0.257 -2.337 9.435 1.00 73.31 H new ATOM 0 HD3 ARG A 5 1.348 -3.480 10.193 1.00 73.31 H new ATOM 0 HE ARG A 5 2.677 -1.165 10.653 1.00 41.11 H new ATOM 0 HH11 ARG A 5 -0.711 -2.076 11.141 1.00 71.33 H new ATOM 0 HH12 ARG A 5 -0.956 -0.884 12.422 1.00 71.33 H new ATOM 0 HH21 ARG A 5 2.342 0.364 12.263 1.00 32.14 H new ATOM 0 HH22 ARG A 5 0.768 0.494 13.056 1.00 32.14 H new ATOM 92 N ASP A 6 -1.513 -2.531 7.822 1.00 15.31 N ATOM 93 CA ASP A 6 -2.665 -2.710 8.696 1.00 34.21 C ATOM 94 C ASP A 6 -3.900 -3.099 7.891 1.00 64.12 C ATOM 95 O ASP A 6 -4.917 -3.517 8.447 1.00 41.42 O ATOM 96 CB ASP A 6 -2.935 -1.441 9.499 1.00 61.12 C ATOM 97 CG ASP A 6 -3.755 -1.721 10.741 1.00 73.25 C ATOM 98 OD1 ASP A 6 -4.984 -1.519 10.720 1.00 50.04 O ATOM 99 OD2 ASP A 6 -3.163 -2.150 11.755 1.00 73.25 O ATOM 0 H ASP A 6 -1.390 -1.585 7.461 1.00 15.31 H new ATOM 0 HA ASP A 6 -2.438 -3.518 9.391 1.00 34.21 H new ATOM 0 HB2 ASP A 6 -1.988 -0.984 9.785 1.00 61.12 H new ATOM 0 HB3 ASP A 6 -3.460 -0.720 8.872 1.00 61.12 H new ATOM 105 N ALA A 7 -3.800 -2.972 6.576 1.00 61.41 N ATOM 106 CA ALA A 7 -4.893 -3.343 5.690 1.00 22.21 C ATOM 107 C ALA A 7 -4.760 -4.804 5.277 1.00 64.23 C ATOM 108 O ALA A 7 -3.673 -5.380 5.339 1.00 13.21 O ATOM 109 CB ALA A 7 -4.921 -2.433 4.472 1.00 20.42 C ATOM 0 H ALA A 7 -2.972 -2.615 6.099 1.00 61.41 H new ATOM 0 HA ALA A 7 -5.836 -3.222 6.223 1.00 22.21 H new ATOM 0 HB1 ALA A 7 -5.744 -2.724 3.819 1.00 20.42 H new ATOM 0 HB2 ALA A 7 -5.059 -1.400 4.792 1.00 20.42 H new ATOM 0 HB3 ALA A 7 -3.980 -2.522 3.930 1.00 20.42 H new ATOM 115 N LYS A 8 -5.869 -5.407 4.873 1.00 4.21 N ATOM 116 CA LYS A 8 -5.876 -6.823 4.527 1.00 45.03 C ATOM 117 C LYS A 8 -6.201 -7.026 3.050 1.00 51.13 C ATOM 118 O LYS A 8 -6.503 -6.072 2.332 1.00 4.52 O ATOM 119 CB LYS A 8 -6.878 -7.600 5.394 1.00 32.43 C ATOM 120 CG LYS A 8 -6.375 -7.952 6.793 1.00 53.20 C ATOM 121 CD LYS A 8 -6.151 -6.721 7.658 1.00 34.12 C ATOM 122 CE LYS A 8 -5.791 -7.099 9.088 1.00 10.31 C ATOM 123 NZ LYS A 8 -6.922 -7.765 9.788 1.00 62.22 N ATOM 0 H LYS A 8 -6.772 -4.942 4.777 1.00 4.21 H new ATOM 0 HA LYS A 8 -4.875 -7.210 4.720 1.00 45.03 H new ATOM 0 HB2 LYS A 8 -7.790 -7.010 5.489 1.00 32.43 H new ATOM 0 HB3 LYS A 8 -7.147 -8.521 4.877 1.00 32.43 H new ATOM 0 HG2 LYS A 8 -7.096 -8.608 7.280 1.00 53.20 H new ATOM 0 HG3 LYS A 8 -5.442 -8.509 6.711 1.00 53.20 H new ATOM 0 HD2 LYS A 8 -5.353 -6.115 7.229 1.00 34.12 H new ATOM 0 HD3 LYS A 8 -7.052 -6.107 7.659 1.00 34.12 H new ATOM 0 HE2 LYS A 8 -4.927 -7.763 9.081 1.00 10.31 H new ATOM 0 HE3 LYS A 8 -5.501 -6.204 9.638 1.00 10.31 H new ATOM 0 HZ1 LYS A 8 -6.746 -7.762 10.813 1.00 62.22 H new ATOM 0 HZ2 LYS A 8 -7.805 -7.253 9.587 1.00 62.22 H new ATOM 0 HZ3 LYS A 8 -7.007 -8.746 9.454 1.00 62.22 H new ATOM 137 N CYS A 9 -6.157 -8.279 2.620 1.00 23.00 N ATOM 138 CA CYS A 9 -6.356 -8.636 1.224 1.00 55.13 C ATOM 139 C CYS A 9 -7.779 -8.346 0.751 1.00 73.44 C ATOM 140 O CYS A 9 -8.748 -8.549 1.489 1.00 63.14 O ATOM 141 CB CYS A 9 -6.018 -10.117 1.027 1.00 31.32 C ATOM 142 SG CYS A 9 -6.561 -11.178 2.394 1.00 62.34 S ATOM 0 H CYS A 9 -5.982 -9.077 3.231 1.00 23.00 H new ATOM 0 HA CYS A 9 -5.690 -8.020 0.620 1.00 55.13 H new ATOM 0 HB2 CYS A 9 -6.479 -10.466 0.103 1.00 31.32 H new ATOM 0 HB3 CYS A 9 -4.940 -10.221 0.904 1.00 31.32 H new ATOM 0 HG CYS A 9 -6.236 -12.411 2.142 1.00 62.34 H new ATOM 148 N GLY A 10 -7.884 -7.846 -0.476 1.00 4.21 N ATOM 149 CA GLY A 10 -9.171 -7.576 -1.085 1.00 44.21 C ATOM 150 C GLY A 10 -9.749 -6.239 -0.669 1.00 61.42 C ATOM 151 O GLY A 10 -10.908 -5.941 -0.956 1.00 54.52 O ATOM 0 H GLY A 10 -7.084 -7.620 -1.067 1.00 4.21 H new ATOM 0 HA2 GLY A 10 -9.067 -7.600 -2.170 1.00 44.21 H new ATOM 0 HA3 GLY A 10 -9.869 -8.368 -0.815 1.00 44.21 H new ATOM 155 N GLN A 11 -8.948 -5.435 0.013 1.00 22.44 N ATOM 156 CA GLN A 11 -9.372 -4.101 0.413 1.00 4.30 C ATOM 157 C GLN A 11 -8.623 -3.047 -0.384 1.00 4.10 C ATOM 158 O GLN A 11 -7.460 -3.241 -0.744 1.00 63.53 O ATOM 159 CB GLN A 11 -9.150 -3.881 1.910 1.00 60.02 C ATOM 160 CG GLN A 11 -10.069 -4.712 2.788 1.00 65.45 C ATOM 161 CD GLN A 11 -9.894 -4.411 4.264 1.00 11.45 C ATOM 162 OE1 GLN A 11 -9.020 -5.152 4.924 1.00 40.22 O flip ATOM 163 NE2 GLN A 11 -10.546 -3.524 4.809 1.00 72.13 N flip ATOM 0 H GLN A 11 -8.001 -5.682 0.301 1.00 22.44 H new ATOM 0 HA GLN A 11 -10.439 -4.011 0.207 1.00 4.30 H new ATOM 0 HB2 GLN A 11 -8.115 -4.119 2.154 1.00 60.02 H new ATOM 0 HB3 GLN A 11 -9.298 -2.826 2.140 1.00 60.02 H new ATOM 0 HG2 GLN A 11 -11.104 -4.525 2.503 1.00 65.45 H new ATOM 0 HG3 GLN A 11 -9.876 -5.770 2.611 1.00 65.45 H new ATOM 0 HE21 GLN A 11 -11.211 -2.973 4.266 1.00 72.13 H new ATOM 0 HE22 GLN A 11 -10.422 -3.338 5.804 1.00 72.13 H new ATOM 172 N THR A 12 -9.295 -1.944 -0.671 1.00 54.43 N ATOM 173 CA THR A 12 -8.705 -0.869 -1.446 1.00 54.20 C ATOM 174 C THR A 12 -8.281 0.280 -0.535 1.00 51.33 C ATOM 175 O THR A 12 -9.099 0.839 0.197 1.00 55.03 O ATOM 176 CB THR A 12 -9.701 -0.344 -2.497 1.00 73.40 C ATOM 177 OG1 THR A 12 -10.257 -1.445 -3.231 1.00 24.21 O ATOM 178 CG2 THR A 12 -9.021 0.620 -3.459 1.00 44.41 C ATOM 0 H THR A 12 -10.256 -1.771 -0.376 1.00 54.43 H new ATOM 0 HA THR A 12 -7.827 -1.268 -1.954 1.00 54.20 H new ATOM 0 HB THR A 12 -10.496 0.191 -1.978 1.00 73.40 H new ATOM 0 HG1 THR A 12 -10.891 -1.107 -3.897 1.00 24.21 H new ATOM 0 HG21 THR A 12 -9.746 0.976 -4.191 1.00 44.41 H new ATOM 0 HG22 THR A 12 -8.621 1.468 -2.903 1.00 44.41 H new ATOM 0 HG23 THR A 12 -8.208 0.108 -3.973 1.00 44.41 H new ATOM 186 N VAL A 13 -7.000 0.618 -0.571 1.00 71.34 N ATOM 187 CA VAL A 13 -6.476 1.715 0.227 1.00 73.22 C ATOM 188 C VAL A 13 -5.880 2.790 -0.670 1.00 53.30 C ATOM 189 O VAL A 13 -5.418 2.503 -1.772 1.00 52.42 O ATOM 190 CB VAL A 13 -5.394 1.237 1.221 1.00 64.14 C ATOM 191 CG1 VAL A 13 -5.974 0.245 2.213 1.00 42.21 C ATOM 192 CG2 VAL A 13 -4.211 0.625 0.484 1.00 14.12 C ATOM 0 H VAL A 13 -6.303 0.146 -1.147 1.00 71.34 H new ATOM 0 HA VAL A 13 -7.313 2.124 0.793 1.00 73.22 H new ATOM 0 HB VAL A 13 -5.038 2.107 1.774 1.00 64.14 H new ATOM 0 HG11 VAL A 13 -5.194 -0.078 2.903 1.00 42.21 H new ATOM 0 HG12 VAL A 13 -6.780 0.719 2.773 1.00 42.21 H new ATOM 0 HG13 VAL A 13 -6.365 -0.620 1.677 1.00 42.21 H new ATOM 0 HG21 VAL A 13 -3.463 0.296 1.206 1.00 14.12 H new ATOM 0 HG22 VAL A 13 -4.550 -0.229 -0.102 1.00 14.12 H new ATOM 0 HG23 VAL A 13 -3.772 1.369 -0.180 1.00 14.12 H new ATOM 202 N LYS A 14 -5.905 4.027 -0.211 1.00 61.20 N ATOM 203 CA LYS A 14 -5.270 5.108 -0.943 1.00 62.05 C ATOM 204 C LYS A 14 -4.001 5.549 -0.256 1.00 2.14 C ATOM 205 O LYS A 14 -3.975 5.752 0.958 1.00 70.20 O ATOM 206 CB LYS A 14 -6.194 6.306 -1.094 1.00 32.22 C ATOM 207 CG LYS A 14 -7.309 6.094 -2.089 1.00 5.22 C ATOM 208 CD LYS A 14 -8.099 7.368 -2.310 1.00 70.43 C ATOM 209 CE LYS A 14 -8.558 7.977 -0.992 1.00 63.42 C ATOM 210 NZ LYS A 14 -9.927 8.545 -1.082 1.00 73.41 N ATOM 0 H LYS A 14 -6.355 4.308 0.660 1.00 61.20 H new ATOM 0 HA LYS A 14 -5.035 4.721 -1.935 1.00 62.05 H new ATOM 0 HB2 LYS A 14 -6.627 6.544 -0.122 1.00 32.22 H new ATOM 0 HB3 LYS A 14 -5.605 7.171 -1.401 1.00 32.22 H new ATOM 0 HG2 LYS A 14 -6.893 5.752 -3.037 1.00 5.22 H new ATOM 0 HG3 LYS A 14 -7.974 5.308 -1.731 1.00 5.22 H new ATOM 0 HD2 LYS A 14 -7.485 8.089 -2.851 1.00 70.43 H new ATOM 0 HD3 LYS A 14 -8.966 7.156 -2.935 1.00 70.43 H new ATOM 0 HE2 LYS A 14 -8.534 7.214 -0.214 1.00 63.42 H new ATOM 0 HE3 LYS A 14 -7.861 8.760 -0.693 1.00 63.42 H new ATOM 0 HZ1 LYS A 14 -10.120 9.122 -0.238 1.00 73.41 H new ATOM 0 HZ2 LYS A 14 -10.001 9.139 -1.932 1.00 73.41 H new ATOM 0 HZ3 LYS A 14 -10.621 7.772 -1.138 1.00 73.41 H new ATOM 224 N VAL A 15 -2.958 5.695 -1.043 1.00 4.55 N ATOM 225 CA VAL A 15 -1.683 6.176 -0.537 1.00 44.02 C ATOM 226 C VAL A 15 -1.716 7.690 -0.429 1.00 32.34 C ATOM 227 O VAL A 15 -1.828 8.380 -1.437 1.00 24.11 O ATOM 228 CB VAL A 15 -0.514 5.751 -1.445 1.00 43.33 C ATOM 229 CG1 VAL A 15 0.813 6.239 -0.885 1.00 24.20 C ATOM 230 CG2 VAL A 15 -0.509 4.243 -1.616 1.00 43.21 C ATOM 0 H VAL A 15 -2.964 5.487 -2.042 1.00 4.55 H new ATOM 0 HA VAL A 15 -1.524 5.733 0.446 1.00 44.02 H new ATOM 0 HB VAL A 15 -0.649 6.211 -2.424 1.00 43.33 H new ATOM 0 HG11 VAL A 15 1.623 5.926 -1.544 1.00 24.20 H new ATOM 0 HG12 VAL A 15 0.801 7.327 -0.816 1.00 24.20 H new ATOM 0 HG13 VAL A 15 0.968 5.814 0.107 1.00 24.20 H new ATOM 0 HG21 VAL A 15 0.321 3.953 -2.260 1.00 43.21 H new ATOM 0 HG22 VAL A 15 -0.397 3.767 -0.642 1.00 43.21 H new ATOM 0 HG23 VAL A 15 -1.448 3.925 -2.069 1.00 43.21 H new ATOM 240 N VAL A 16 -1.635 8.206 0.784 1.00 3.43 N ATOM 241 CA VAL A 16 -1.730 9.644 0.987 1.00 14.33 C ATOM 242 C VAL A 16 -0.387 10.260 1.347 1.00 31.03 C ATOM 243 O VAL A 16 -0.047 11.344 0.873 1.00 63.21 O ATOM 244 CB VAL A 16 -2.775 10.002 2.069 1.00 11.23 C ATOM 245 CG1 VAL A 16 -4.181 9.771 1.543 1.00 4.04 C ATOM 246 CG2 VAL A 16 -2.550 9.197 3.339 1.00 73.50 C ATOM 0 H VAL A 16 -1.505 7.660 1.636 1.00 3.43 H new ATOM 0 HA VAL A 16 -2.056 10.064 0.035 1.00 14.33 H new ATOM 0 HB VAL A 16 -2.657 11.058 2.313 1.00 11.23 H new ATOM 0 HG11 VAL A 16 -4.905 10.027 2.316 1.00 4.04 H new ATOM 0 HG12 VAL A 16 -4.349 10.397 0.666 1.00 4.04 H new ATOM 0 HG13 VAL A 16 -4.299 8.723 1.268 1.00 4.04 H new ATOM 0 HG21 VAL A 16 -3.300 9.471 4.081 1.00 73.50 H new ATOM 0 HG22 VAL A 16 -2.632 8.133 3.115 1.00 73.50 H new ATOM 0 HG23 VAL A 16 -1.556 9.409 3.733 1.00 73.50 H new ATOM 256 N LYS A 17 0.381 9.574 2.171 1.00 12.10 N ATOM 257 CA LYS A 17 1.664 10.099 2.603 1.00 53.51 C ATOM 258 C LYS A 17 2.727 9.013 2.579 1.00 33.11 C ATOM 259 O LYS A 17 2.508 7.899 3.048 1.00 43.43 O ATOM 260 CB LYS A 17 1.541 10.691 4.012 1.00 22.31 C ATOM 261 CG LYS A 17 2.721 11.559 4.425 1.00 15.44 C ATOM 262 CD LYS A 17 2.857 12.782 3.528 1.00 34.20 C ATOM 263 CE LYS A 17 1.613 13.654 3.577 1.00 11.31 C ATOM 264 NZ LYS A 17 1.408 14.277 4.913 1.00 14.25 N ATOM 0 H LYS A 17 0.143 8.659 2.553 1.00 12.10 H new ATOM 0 HA LYS A 17 1.966 10.886 1.912 1.00 53.51 H new ATOM 0 HB2 LYS A 17 0.629 11.286 4.067 1.00 22.31 H new ATOM 0 HB3 LYS A 17 1.434 9.877 4.729 1.00 22.31 H new ATOM 0 HG2 LYS A 17 2.595 11.878 5.460 1.00 15.44 H new ATOM 0 HG3 LYS A 17 3.638 10.972 4.382 1.00 15.44 H new ATOM 0 HD2 LYS A 17 3.724 13.366 3.837 1.00 34.20 H new ATOM 0 HD3 LYS A 17 3.038 12.463 2.502 1.00 34.20 H new ATOM 0 HE2 LYS A 17 1.692 14.437 2.823 1.00 11.31 H new ATOM 0 HE3 LYS A 17 0.741 13.052 3.322 1.00 11.31 H new ATOM 0 HZ1 LYS A 17 0.597 14.927 4.872 1.00 14.25 H new ATOM 0 HZ2 LYS A 17 1.221 13.535 5.617 1.00 14.25 H new ATOM 0 HZ3 LYS A 17 2.262 14.805 5.185 1.00 14.25 H new ATOM 278 N LEU A 18 3.873 9.333 2.019 1.00 40.23 N ATOM 279 CA LEU A 18 4.989 8.411 2.003 1.00 3.02 C ATOM 280 C LEU A 18 6.069 8.893 2.953 1.00 71.52 C ATOM 281 O LEU A 18 6.601 9.991 2.794 1.00 23.44 O ATOM 282 CB LEU A 18 5.551 8.268 0.589 1.00 61.02 C ATOM 283 CG LEU A 18 4.615 7.592 -0.413 1.00 50.13 C ATOM 284 CD1 LEU A 18 5.262 7.545 -1.786 1.00 44.03 C ATOM 285 CD2 LEU A 18 4.265 6.190 0.052 1.00 1.14 C ATOM 0 H LEU A 18 4.057 10.228 1.567 1.00 40.23 H new ATOM 0 HA LEU A 18 4.638 7.432 2.330 1.00 3.02 H new ATOM 0 HB2 LEU A 18 5.806 9.259 0.214 1.00 61.02 H new ATOM 0 HB3 LEU A 18 6.479 7.698 0.639 1.00 61.02 H new ATOM 0 HG LEU A 18 3.696 8.175 -0.479 1.00 50.13 H new ATOM 0 HD11 LEU A 18 4.586 7.061 -2.491 1.00 44.03 H new ATOM 0 HD12 LEU A 18 5.473 8.560 -2.124 1.00 44.03 H new ATOM 0 HD13 LEU A 18 6.193 6.980 -1.731 1.00 44.03 H new ATOM 0 HD21 LEU A 18 3.598 5.722 -0.672 1.00 1.14 H new ATOM 0 HD22 LEU A 18 5.176 5.598 0.141 1.00 1.14 H new ATOM 0 HD23 LEU A 18 3.769 6.241 1.021 1.00 1.14 H new ATOM 297 N HIS A 19 6.365 8.086 3.955 1.00 71.20 N ATOM 298 CA HIS A 19 7.403 8.420 4.916 1.00 70.41 C ATOM 299 C HIS A 19 8.679 7.668 4.548 1.00 33.11 C ATOM 300 O HIS A 19 8.679 6.866 3.613 1.00 1.12 O ATOM 301 CB HIS A 19 6.965 8.067 6.348 1.00 25.13 C ATOM 302 CG HIS A 19 5.652 8.669 6.773 1.00 71.13 C ATOM 303 ND1 HIS A 19 5.555 9.852 7.471 1.00 53.24 N ATOM 304 CD2 HIS A 19 4.376 8.225 6.618 1.00 21.42 C ATOM 305 CE1 HIS A 19 4.285 10.110 7.727 1.00 15.05 C ATOM 306 NE2 HIS A 19 3.547 9.140 7.222 1.00 24.52 N ATOM 0 H HIS A 19 5.902 7.194 4.126 1.00 71.20 H new ATOM 0 HA HIS A 19 7.587 9.494 4.884 1.00 70.41 H new ATOM 0 HB2 HIS A 19 6.897 6.983 6.435 1.00 25.13 H new ATOM 0 HB3 HIS A 19 7.740 8.394 7.041 1.00 25.13 H new ATOM 0 HD2 HIS A 19 4.070 7.320 6.113 1.00 21.42 H new ATOM 0 HE1 HIS A 19 3.913 10.972 8.261 1.00 15.05 H new ATOM 0 HE2 HIS A 19 2.530 9.079 7.272 1.00 24.52 H new ATOM 315 N GLY A 20 9.756 7.923 5.272 1.00 63.51 N ATOM 316 CA GLY A 20 11.015 7.256 4.992 1.00 11.55 C ATOM 317 C GLY A 20 12.105 8.241 4.632 1.00 45.30 C ATOM 318 O GLY A 20 11.817 9.353 4.194 1.00 74.33 O ATOM 0 H GLY A 20 9.784 8.581 6.051 1.00 63.51 H new ATOM 0 HA2 GLY A 20 11.321 6.677 5.863 1.00 11.55 H new ATOM 0 HA3 GLY A 20 10.878 6.550 4.173 1.00 11.55 H new ATOM 322 N THR A 21 13.357 7.844 4.808 1.00 65.30 N ATOM 323 CA THR A 21 14.470 8.744 4.569 1.00 61.11 C ATOM 324 C THR A 21 14.886 8.753 3.094 1.00 31.41 C ATOM 325 O THR A 21 15.829 8.069 2.701 1.00 44.30 O ATOM 326 CB THR A 21 15.682 8.376 5.448 1.00 15.02 C ATOM 327 OG1 THR A 21 15.253 8.142 6.798 1.00 63.24 O ATOM 328 CG2 THR A 21 16.724 9.486 5.435 1.00 22.32 C ATOM 0 H THR A 21 13.624 6.908 5.114 1.00 65.30 H new ATOM 0 HA THR A 21 14.129 9.744 4.836 1.00 61.11 H new ATOM 0 HB THR A 21 16.133 7.471 5.041 1.00 15.02 H new ATOM 0 HG1 THR A 21 16.027 7.907 7.351 1.00 63.24 H new ATOM 0 HG21 THR A 21 17.568 9.200 6.063 1.00 22.32 H new ATOM 0 HG22 THR A 21 17.070 9.648 4.414 1.00 22.32 H new ATOM 0 HG23 THR A 21 16.281 10.405 5.819 1.00 22.32 H new ATOM 336 N GLY A 22 14.128 9.494 2.285 1.00 44.15 N ATOM 337 CA GLY A 22 14.493 9.754 0.895 1.00 15.52 C ATOM 338 C GLY A 22 14.481 8.530 -0.009 1.00 35.10 C ATOM 339 O GLY A 22 13.561 8.359 -0.813 1.00 0.41 O ATOM 0 H GLY A 22 13.251 9.927 2.573 1.00 44.15 H new ATOM 0 HA2 GLY A 22 13.807 10.496 0.487 1.00 15.52 H new ATOM 0 HA3 GLY A 22 15.490 10.195 0.872 1.00 15.52 H new ATOM 343 N ALA A 23 15.503 7.688 0.121 1.00 33.35 N ATOM 344 CA ALA A 23 15.698 6.541 -0.765 1.00 63.33 C ATOM 345 C ALA A 23 14.498 5.601 -0.735 1.00 32.24 C ATOM 346 O ALA A 23 14.066 5.101 -1.775 1.00 62.03 O ATOM 347 CB ALA A 23 16.964 5.792 -0.378 1.00 70.23 C ATOM 0 H ALA A 23 16.219 7.780 0.842 1.00 33.35 H new ATOM 0 HA ALA A 23 15.800 6.917 -1.783 1.00 63.33 H new ATOM 0 HB1 ALA A 23 17.100 4.940 -1.044 1.00 70.23 H new ATOM 0 HB2 ALA A 23 17.822 6.459 -0.463 1.00 70.23 H new ATOM 0 HB3 ALA A 23 16.878 5.440 0.650 1.00 70.23 H new ATOM 353 N LEU A 24 13.961 5.374 0.459 1.00 2.31 N ATOM 354 CA LEU A 24 12.794 4.515 0.624 1.00 20.32 C ATOM 355 C LEU A 24 11.629 5.044 -0.209 1.00 72.34 C ATOM 356 O LEU A 24 10.975 4.293 -0.929 1.00 43.33 O ATOM 357 CB LEU A 24 12.396 4.433 2.100 1.00 65.13 C ATOM 358 CG LEU A 24 11.224 3.497 2.411 1.00 65.15 C ATOM 359 CD1 LEU A 24 11.559 2.063 2.029 1.00 13.43 C ATOM 360 CD2 LEU A 24 10.855 3.584 3.880 1.00 1.14 C ATOM 0 H LEU A 24 14.316 5.774 1.328 1.00 2.31 H new ATOM 0 HA LEU A 24 13.047 3.513 0.277 1.00 20.32 H new ATOM 0 HB2 LEU A 24 13.262 4.107 2.675 1.00 65.13 H new ATOM 0 HB3 LEU A 24 12.142 5.435 2.447 1.00 65.13 H new ATOM 0 HG LEU A 24 10.367 3.814 1.817 1.00 65.15 H new ATOM 0 HD11 LEU A 24 10.711 1.418 2.259 1.00 13.43 H new ATOM 0 HD12 LEU A 24 11.775 2.012 0.962 1.00 13.43 H new ATOM 0 HD13 LEU A 24 12.431 1.731 2.592 1.00 13.43 H new ATOM 0 HD21 LEU A 24 10.021 2.913 4.086 1.00 1.14 H new ATOM 0 HD22 LEU A 24 11.712 3.294 4.488 1.00 1.14 H new ATOM 0 HD23 LEU A 24 10.567 4.607 4.123 1.00 1.14 H new ATOM 372 N LYS A 25 11.410 6.353 -0.125 1.00 20.12 N ATOM 373 CA LYS A 25 10.348 7.019 -0.866 1.00 32.31 C ATOM 374 C LYS A 25 10.495 6.795 -2.367 1.00 34.22 C ATOM 375 O LYS A 25 9.523 6.470 -3.048 1.00 22.21 O ATOM 376 CB LYS A 25 10.357 8.517 -0.557 1.00 15.22 C ATOM 377 CG LYS A 25 9.967 8.843 0.875 1.00 75.42 C ATOM 378 CD LYS A 25 10.013 10.337 1.145 1.00 33.15 C ATOM 379 CE LYS A 25 9.609 10.651 2.573 1.00 24.14 C ATOM 380 NZ LYS A 25 9.723 12.099 2.875 1.00 41.32 N ATOM 0 H LYS A 25 11.964 6.980 0.459 1.00 20.12 H new ATOM 0 HA LYS A 25 9.396 6.590 -0.553 1.00 32.31 H new ATOM 0 HB2 LYS A 25 11.353 8.914 -0.753 1.00 15.22 H new ATOM 0 HB3 LYS A 25 9.672 9.024 -1.236 1.00 15.22 H new ATOM 0 HG2 LYS A 25 8.963 8.469 1.073 1.00 75.42 H new ATOM 0 HG3 LYS A 25 10.640 8.329 1.561 1.00 75.42 H new ATOM 0 HD2 LYS A 25 11.019 10.712 0.959 1.00 33.15 H new ATOM 0 HD3 LYS A 25 9.347 10.854 0.454 1.00 33.15 H new ATOM 0 HE2 LYS A 25 8.582 10.325 2.740 1.00 24.14 H new ATOM 0 HE3 LYS A 25 10.238 10.086 3.261 1.00 24.14 H new ATOM 0 HZ1 LYS A 25 9.438 12.272 3.860 1.00 41.32 H new ATOM 0 HZ2 LYS A 25 10.708 12.405 2.741 1.00 41.32 H new ATOM 0 HZ3 LYS A 25 9.103 12.637 2.236 1.00 41.32 H new ATOM 394 N ARG A 26 11.714 6.951 -2.877 1.00 44.32 N ATOM 395 CA ARG A 26 11.969 6.788 -4.307 1.00 25.44 C ATOM 396 C ARG A 26 11.646 5.369 -4.740 1.00 73.14 C ATOM 397 O ARG A 26 11.031 5.150 -5.776 1.00 14.03 O ATOM 398 CB ARG A 26 13.433 7.075 -4.644 1.00 13.43 C ATOM 399 CG ARG A 26 13.685 7.232 -6.140 1.00 51.13 C ATOM 400 CD ARG A 26 15.170 7.230 -6.473 1.00 20.11 C ATOM 401 NE ARG A 26 15.409 7.419 -7.906 1.00 71.00 N ATOM 402 CZ ARG A 26 16.186 6.629 -8.653 1.00 22.24 C ATOM 403 NH1 ARG A 26 16.798 5.584 -8.113 1.00 14.33 N ATOM 404 NH2 ARG A 26 16.350 6.887 -9.944 1.00 42.31 N ATOM 0 H ARG A 26 12.538 7.189 -2.325 1.00 44.32 H new ATOM 0 HA ARG A 26 11.332 7.498 -4.835 1.00 25.44 H new ATOM 0 HB2 ARG A 26 13.745 7.985 -4.132 1.00 13.43 H new ATOM 0 HB3 ARG A 26 14.053 6.265 -4.261 1.00 13.43 H new ATOM 0 HG2 ARG A 26 13.192 6.422 -6.677 1.00 51.13 H new ATOM 0 HG3 ARG A 26 13.237 8.163 -6.487 1.00 51.13 H new ATOM 0 HD2 ARG A 26 15.668 8.022 -5.914 1.00 20.11 H new ATOM 0 HD3 ARG A 26 15.613 6.287 -6.152 1.00 20.11 H new ATOM 0 HE ARG A 26 14.951 8.207 -8.365 1.00 71.00 H new ATOM 0 HH11 ARG A 26 16.677 5.379 -7.121 1.00 14.33 H new ATOM 0 HH12 ARG A 26 17.390 4.985 -8.689 1.00 14.33 H new ATOM 0 HH21 ARG A 26 15.883 7.689 -10.367 1.00 42.31 H new ATOM 0 HH22 ARG A 26 16.943 6.283 -10.513 1.00 42.31 H new ATOM 418 N ARG A 27 12.072 4.417 -3.928 1.00 51.04 N ATOM 419 CA ARG A 27 11.864 3.007 -4.212 1.00 74.21 C ATOM 420 C ARG A 27 10.374 2.681 -4.251 1.00 15.21 C ATOM 421 O ARG A 27 9.914 1.926 -5.107 1.00 14.55 O ATOM 422 CB ARG A 27 12.574 2.169 -3.153 1.00 41.44 C ATOM 423 CG ARG A 27 12.468 0.675 -3.370 1.00 54.03 C ATOM 424 CD ARG A 27 13.419 -0.073 -2.461 1.00 74.43 C ATOM 425 NE ARG A 27 14.815 0.215 -2.781 1.00 14.33 N ATOM 426 CZ ARG A 27 15.847 -0.178 -2.033 1.00 34.33 C ATOM 427 NH1 ARG A 27 15.641 -0.889 -0.931 1.00 22.20 N ATOM 428 NH2 ARG A 27 17.084 0.130 -2.404 1.00 10.55 N ATOM 0 H ARG A 27 12.570 4.598 -3.056 1.00 51.04 H new ATOM 0 HA ARG A 27 12.281 2.772 -5.191 1.00 74.21 H new ATOM 0 HB2 ARG A 27 13.628 2.448 -3.131 1.00 41.44 H new ATOM 0 HB3 ARG A 27 12.160 2.413 -2.175 1.00 41.44 H new ATOM 0 HG2 ARG A 27 11.446 0.348 -3.181 1.00 54.03 H new ATOM 0 HG3 ARG A 27 12.691 0.438 -4.410 1.00 54.03 H new ATOM 0 HD2 ARG A 27 13.220 0.199 -1.424 1.00 74.43 H new ATOM 0 HD3 ARG A 27 13.239 -1.144 -2.550 1.00 74.43 H new ATOM 0 HE ARG A 27 15.012 0.749 -3.627 1.00 14.33 H new ATOM 0 HH11 ARG A 27 14.691 -1.136 -0.654 1.00 22.20 H new ATOM 0 HH12 ARG A 27 16.433 -1.188 -0.361 1.00 22.20 H new ATOM 0 HH21 ARG A 27 17.242 0.665 -3.258 1.00 10.55 H new ATOM 0 HH22 ARG A 27 17.876 -0.168 -1.835 1.00 10.55 H new ATOM 442 N ILE A 28 9.629 3.275 -3.329 1.00 11.11 N ATOM 443 CA ILE A 28 8.187 3.095 -3.269 1.00 74.45 C ATOM 444 C ILE A 28 7.509 3.718 -4.492 1.00 32.20 C ATOM 445 O ILE A 28 6.710 3.068 -5.173 1.00 12.14 O ATOM 446 CB ILE A 28 7.610 3.712 -1.974 1.00 53.31 C ATOM 447 CG1 ILE A 28 8.181 3.000 -0.743 1.00 41.44 C ATOM 448 CG2 ILE A 28 6.094 3.632 -1.968 1.00 74.34 C ATOM 449 CD1 ILE A 28 7.775 3.635 0.571 1.00 15.41 C ATOM 0 H ILE A 28 10.004 3.890 -2.607 1.00 11.11 H new ATOM 0 HA ILE A 28 7.985 2.024 -3.266 1.00 74.45 H new ATOM 0 HB ILE A 28 7.900 4.762 -1.939 1.00 53.31 H new ATOM 0 HG12 ILE A 28 7.853 1.961 -0.751 1.00 41.44 H new ATOM 0 HG13 ILE A 28 9.269 2.991 -0.811 1.00 41.44 H new ATOM 0 HG21 ILE A 28 5.710 4.072 -1.048 1.00 74.34 H new ATOM 0 HG22 ILE A 28 5.697 4.178 -2.824 1.00 74.34 H new ATOM 0 HG23 ILE A 28 5.784 2.589 -2.028 1.00 74.34 H new ATOM 0 HD11 ILE A 28 8.217 3.077 1.397 1.00 15.41 H new ATOM 0 HD12 ILE A 28 8.127 4.666 0.601 1.00 15.41 H new ATOM 0 HD13 ILE A 28 6.689 3.619 0.662 1.00 15.41 H new ATOM 461 N MET A 29 7.860 4.966 -4.784 1.00 2.52 N ATOM 462 CA MET A 29 7.266 5.693 -5.904 1.00 42.44 C ATOM 463 C MET A 29 7.656 5.068 -7.238 1.00 71.44 C ATOM 464 O MET A 29 6.872 5.073 -8.187 1.00 31.40 O ATOM 465 CB MET A 29 7.683 7.166 -5.878 1.00 4.34 C ATOM 466 CG MET A 29 7.108 7.940 -4.704 1.00 63.33 C ATOM 467 SD MET A 29 7.548 9.690 -4.731 1.00 3.42 S ATOM 468 CE MET A 29 9.332 9.598 -4.580 1.00 24.24 C ATOM 0 H MET A 29 8.555 5.498 -4.260 1.00 2.52 H new ATOM 0 HA MET A 29 6.183 5.630 -5.797 1.00 42.44 H new ATOM 0 HB2 MET A 29 8.771 7.226 -5.845 1.00 4.34 H new ATOM 0 HB3 MET A 29 7.366 7.641 -6.806 1.00 4.34 H new ATOM 0 HG2 MET A 29 6.022 7.844 -4.709 1.00 63.33 H new ATOM 0 HG3 MET A 29 7.463 7.496 -3.774 1.00 63.33 H new ATOM 0 HE1 MET A 29 9.731 10.590 -4.368 1.00 24.24 H new ATOM 0 HE2 MET A 29 9.594 8.921 -3.767 1.00 24.24 H new ATOM 0 HE3 MET A 29 9.757 9.227 -5.513 1.00 24.24 H new ATOM 478 N ASP A 30 8.865 4.531 -7.296 1.00 33.31 N ATOM 479 CA ASP A 30 9.382 3.885 -8.501 1.00 42.13 C ATOM 480 C ASP A 30 8.518 2.696 -8.912 1.00 74.42 C ATOM 481 O ASP A 30 8.305 2.448 -10.099 1.00 34.44 O ATOM 482 CB ASP A 30 10.825 3.426 -8.266 1.00 32.12 C ATOM 483 CG ASP A 30 11.385 2.612 -9.413 1.00 3.12 C ATOM 484 OD1 ASP A 30 11.832 3.211 -10.414 1.00 50.40 O ATOM 485 OD2 ASP A 30 11.406 1.368 -9.308 1.00 42.33 O ATOM 0 H ASP A 30 9.518 4.529 -6.512 1.00 33.31 H new ATOM 0 HA ASP A 30 9.357 4.613 -9.311 1.00 42.13 H new ATOM 0 HB2 ASP A 30 11.456 4.300 -8.107 1.00 32.12 H new ATOM 0 HB3 ASP A 30 10.867 2.832 -7.353 1.00 32.12 H new ATOM 491 N MET A 31 8.010 1.971 -7.925 1.00 51.13 N ATOM 492 CA MET A 31 7.198 0.790 -8.190 1.00 71.13 C ATOM 493 C MET A 31 5.820 1.181 -8.712 1.00 4.41 C ATOM 494 O MET A 31 5.168 0.405 -9.409 1.00 33.14 O ATOM 495 CB MET A 31 7.062 -0.062 -6.925 1.00 40.30 C ATOM 496 CG MET A 31 8.372 -0.690 -6.470 1.00 34.33 C ATOM 497 SD MET A 31 8.197 -1.640 -4.945 1.00 13.15 S ATOM 498 CE MET A 31 7.669 -0.359 -3.811 1.00 41.12 C ATOM 0 H MET A 31 8.145 2.179 -6.936 1.00 51.13 H new ATOM 0 HA MET A 31 7.700 0.201 -8.958 1.00 71.13 H new ATOM 0 HB2 MET A 31 6.667 0.558 -6.120 1.00 40.30 H new ATOM 0 HB3 MET A 31 6.333 -0.852 -7.106 1.00 40.30 H new ATOM 0 HG2 MET A 31 8.751 -1.342 -7.258 1.00 34.33 H new ATOM 0 HG3 MET A 31 9.114 0.095 -6.321 1.00 34.33 H new ATOM 0 HE1 MET A 31 8.285 -0.392 -2.912 1.00 41.12 H new ATOM 0 HE2 MET A 31 7.775 0.615 -4.288 1.00 41.12 H new ATOM 0 HE3 MET A 31 6.625 -0.519 -3.541 1.00 41.12 H new ATOM 508 N GLY A 32 5.388 2.392 -8.383 1.00 60.41 N ATOM 509 CA GLY A 32 4.088 2.860 -8.827 1.00 23.50 C ATOM 510 C GLY A 32 3.288 3.482 -7.704 1.00 44.33 C ATOM 511 O GLY A 32 2.354 4.250 -7.945 1.00 33.13 O ATOM 0 H GLY A 32 5.914 3.058 -7.817 1.00 60.41 H new ATOM 0 HA2 GLY A 32 4.220 3.591 -9.624 1.00 23.50 H new ATOM 0 HA3 GLY A 32 3.529 2.025 -9.250 1.00 23.50 H new ATOM 515 N ILE A 33 3.659 3.150 -6.475 1.00 14.45 N ATOM 516 CA ILE A 33 2.974 3.662 -5.297 1.00 23.55 C ATOM 517 C ILE A 33 3.200 5.165 -5.160 1.00 71.23 C ATOM 518 O ILE A 33 4.311 5.612 -4.876 1.00 53.22 O ATOM 519 CB ILE A 33 3.464 2.952 -4.019 1.00 64.24 C ATOM 520 CG1 ILE A 33 3.349 1.433 -4.179 1.00 2.15 C ATOM 521 CG2 ILE A 33 2.665 3.423 -2.813 1.00 0.34 C ATOM 522 CD1 ILE A 33 3.913 0.653 -3.011 1.00 44.33 C ATOM 0 H ILE A 33 4.437 2.523 -6.268 1.00 14.45 H new ATOM 0 HA ILE A 33 1.909 3.466 -5.421 1.00 23.55 H new ATOM 0 HB ILE A 33 4.512 3.205 -3.858 1.00 64.24 H new ATOM 0 HG12 ILE A 33 2.299 1.169 -4.308 1.00 2.15 H new ATOM 0 HG13 ILE A 33 3.868 1.132 -5.089 1.00 2.15 H new ATOM 0 HG21 ILE A 33 3.022 2.913 -1.918 1.00 0.34 H new ATOM 0 HG22 ILE A 33 2.790 4.499 -2.692 1.00 0.34 H new ATOM 0 HG23 ILE A 33 1.610 3.195 -2.964 1.00 0.34 H new ATOM 0 HD11 ILE A 33 3.796 -0.415 -3.196 1.00 44.33 H new ATOM 0 HD12 ILE A 33 4.971 0.887 -2.894 1.00 44.33 H new ATOM 0 HD13 ILE A 33 3.379 0.924 -2.100 1.00 44.33 H new ATOM 534 N THR A 34 2.144 5.935 -5.370 1.00 24.31 N ATOM 535 CA THR A 34 2.240 7.383 -5.374 1.00 13.22 C ATOM 536 C THR A 34 1.108 8.016 -4.570 1.00 31.04 C ATOM 537 O THR A 34 0.120 7.358 -4.245 1.00 12.21 O ATOM 538 CB THR A 34 2.218 7.923 -6.819 1.00 55.42 C ATOM 539 OG1 THR A 34 1.278 7.172 -7.600 1.00 72.00 O ATOM 540 CG2 THR A 34 3.597 7.840 -7.455 1.00 3.35 C ATOM 0 H THR A 34 1.205 5.576 -5.541 1.00 24.31 H new ATOM 0 HA THR A 34 3.187 7.651 -4.905 1.00 13.22 H new ATOM 0 HB THR A 34 1.918 8.971 -6.790 1.00 55.42 H new ATOM 0 HG1 THR A 34 1.643 6.281 -7.783 1.00 72.00 H new ATOM 0 HG21 THR A 34 3.552 8.227 -8.473 1.00 3.35 H new ATOM 0 HG22 THR A 34 4.303 8.432 -6.872 1.00 3.35 H new ATOM 0 HG23 THR A 34 3.926 6.801 -7.476 1.00 3.35 H new ATOM 548 N ARG A 35 1.255 9.292 -4.251 1.00 40.23 N ATOM 549 CA ARG A 35 0.251 10.007 -3.477 1.00 61.31 C ATOM 550 C ARG A 35 -1.032 10.179 -4.283 1.00 33.11 C ATOM 551 O ARG A 35 -1.053 10.866 -5.308 1.00 52.23 O ATOM 552 CB ARG A 35 0.790 11.369 -3.045 1.00 13.22 C ATOM 553 CG ARG A 35 1.912 11.280 -2.023 1.00 44.30 C ATOM 554 CD ARG A 35 2.687 12.582 -1.937 1.00 53.44 C ATOM 555 NE ARG A 35 3.425 12.854 -3.173 1.00 64.22 N ATOM 556 CZ ARG A 35 4.338 13.813 -3.303 1.00 55.05 C ATOM 557 NH1 ARG A 35 4.605 14.624 -2.286 1.00 3.21 N ATOM 558 NH2 ARG A 35 4.976 13.964 -4.459 1.00 23.14 N ATOM 0 H ARG A 35 2.062 9.856 -4.517 1.00 40.23 H new ATOM 0 HA ARG A 35 0.021 9.420 -2.588 1.00 61.31 H new ATOM 0 HB2 ARG A 35 1.151 11.904 -3.924 1.00 13.22 H new ATOM 0 HB3 ARG A 35 -0.026 11.958 -2.627 1.00 13.22 H new ATOM 0 HG2 ARG A 35 1.497 11.037 -1.045 1.00 44.30 H new ATOM 0 HG3 ARG A 35 2.589 10.469 -2.293 1.00 44.30 H new ATOM 0 HD2 ARG A 35 1.999 13.403 -1.736 1.00 53.44 H new ATOM 0 HD3 ARG A 35 3.383 12.537 -1.100 1.00 53.44 H new ATOM 0 HE ARG A 35 3.226 12.271 -3.986 1.00 64.22 H new ATOM 0 HH11 ARG A 35 4.109 14.513 -1.401 1.00 3.21 H new ATOM 0 HH12 ARG A 35 5.306 15.358 -2.389 1.00 3.21 H new ATOM 0 HH21 ARG A 35 4.765 13.346 -5.242 1.00 23.14 H new ATOM 0 HH22 ARG A 35 5.677 14.698 -4.563 1.00 23.14 H new ATOM 572 N GLY A 36 -2.093 9.534 -3.821 1.00 14.41 N ATOM 573 CA GLY A 36 -3.382 9.639 -4.469 1.00 3.42 C ATOM 574 C GLY A 36 -3.738 8.410 -5.284 1.00 22.31 C ATOM 575 O GLY A 36 -4.821 8.346 -5.868 1.00 71.10 O ATOM 0 H GLY A 36 -2.081 8.932 -2.998 1.00 14.41 H new ATOM 0 HA2 GLY A 36 -4.150 9.802 -3.713 1.00 3.42 H new ATOM 0 HA3 GLY A 36 -3.385 10.513 -5.120 1.00 3.42 H new ATOM 579 N CYS A 37 -2.842 7.431 -5.336 1.00 20.11 N ATOM 580 CA CYS A 37 -3.139 6.194 -6.041 1.00 50.11 C ATOM 581 C CYS A 37 -3.869 5.234 -5.111 1.00 52.33 C ATOM 582 O CYS A 37 -3.552 5.145 -3.920 1.00 14.14 O ATOM 583 CB CYS A 37 -1.867 5.531 -6.583 1.00 13.50 C ATOM 584 SG CYS A 37 -0.809 4.785 -5.320 1.00 63.12 S ATOM 0 H CYS A 37 -1.918 7.469 -4.905 1.00 20.11 H new ATOM 0 HA CYS A 37 -3.775 6.437 -6.892 1.00 50.11 H new ATOM 0 HB2 CYS A 37 -2.152 4.761 -7.300 1.00 13.50 H new ATOM 0 HB3 CYS A 37 -1.289 6.277 -7.128 1.00 13.50 H new ATOM 0 HG CYS A 37 -0.339 5.715 -4.543 1.00 63.12 H new ATOM 590 N GLU A 38 -4.850 4.535 -5.649 1.00 34.15 N ATOM 591 CA GLU A 38 -5.598 3.563 -4.876 1.00 65.13 C ATOM 592 C GLU A 38 -5.113 2.156 -5.194 1.00 43.52 C ATOM 593 O GLU A 38 -5.077 1.737 -6.351 1.00 25.23 O ATOM 594 CB GLU A 38 -7.101 3.714 -5.125 1.00 62.51 C ATOM 595 CG GLU A 38 -7.473 3.866 -6.591 1.00 21.34 C ATOM 596 CD GLU A 38 -8.887 4.367 -6.778 1.00 71.24 C ATOM 597 OE1 GLU A 38 -9.167 5.519 -6.381 1.00 64.20 O ATOM 598 OE2 GLU A 38 -9.717 3.634 -7.353 1.00 21.24 O ATOM 0 H GLU A 38 -5.148 4.623 -6.621 1.00 34.15 H new ATOM 0 HA GLU A 38 -5.426 3.745 -3.815 1.00 65.13 H new ATOM 0 HB2 GLU A 38 -7.615 2.843 -4.719 1.00 62.51 H new ATOM 0 HB3 GLU A 38 -7.464 4.583 -4.577 1.00 62.51 H new ATOM 0 HG2 GLU A 38 -6.779 4.557 -7.069 1.00 21.34 H new ATOM 0 HG3 GLU A 38 -7.362 2.905 -7.093 1.00 21.34 H new ATOM 606 N ILE A 39 -4.722 1.449 -4.154 1.00 50.13 N ATOM 607 CA ILE A 39 -4.128 0.136 -4.278 1.00 51.34 C ATOM 608 C ILE A 39 -4.958 -0.873 -3.509 1.00 21.12 C ATOM 609 O ILE A 39 -5.224 -0.688 -2.322 1.00 22.31 O ATOM 610 CB ILE A 39 -2.696 0.122 -3.703 1.00 15.15 C ATOM 611 CG1 ILE A 39 -1.844 1.224 -4.339 1.00 25.41 C ATOM 612 CG2 ILE A 39 -2.056 -1.244 -3.911 1.00 43.22 C ATOM 613 CD1 ILE A 39 -0.471 1.354 -3.718 1.00 71.44 C ATOM 0 H ILE A 39 -4.809 1.773 -3.191 1.00 50.13 H new ATOM 0 HA ILE A 39 -4.095 -0.120 -5.337 1.00 51.34 H new ATOM 0 HB ILE A 39 -2.752 0.317 -2.632 1.00 15.15 H new ATOM 0 HG12 ILE A 39 -1.735 1.020 -5.404 1.00 25.41 H new ATOM 0 HG13 ILE A 39 -2.367 2.176 -4.249 1.00 25.41 H new ATOM 0 HG21 ILE A 39 -1.046 -1.239 -3.501 1.00 43.22 H new ATOM 0 HG22 ILE A 39 -2.650 -2.005 -3.405 1.00 43.22 H new ATOM 0 HG23 ILE A 39 -2.013 -1.467 -4.977 1.00 43.22 H new ATOM 0 HD11 ILE A 39 0.079 2.153 -4.216 1.00 71.44 H new ATOM 0 HD12 ILE A 39 -0.572 1.588 -2.658 1.00 71.44 H new ATOM 0 HD13 ILE A 39 0.070 0.415 -3.832 1.00 71.44 H new ATOM 625 N TYR A 40 -5.394 -1.920 -4.176 1.00 72.11 N ATOM 626 CA TYR A 40 -6.039 -3.009 -3.474 1.00 52.44 C ATOM 627 C TYR A 40 -5.009 -4.098 -3.208 1.00 43.04 C ATOM 628 O TYR A 40 -4.245 -4.482 -4.100 1.00 61.44 O ATOM 629 CB TYR A 40 -7.257 -3.557 -4.241 1.00 54.13 C ATOM 630 CG TYR A 40 -6.936 -4.446 -5.421 1.00 71.11 C ATOM 631 CD1 TYR A 40 -6.665 -3.909 -6.671 1.00 35.14 C ATOM 632 CD2 TYR A 40 -6.914 -5.830 -5.281 1.00 62.14 C ATOM 633 CE1 TYR A 40 -6.385 -4.722 -7.748 1.00 35.34 C ATOM 634 CE2 TYR A 40 -6.631 -6.651 -6.354 1.00 61.51 C ATOM 635 CZ TYR A 40 -6.365 -6.092 -7.587 1.00 73.42 C ATOM 636 OH TYR A 40 -6.076 -6.902 -8.661 1.00 23.41 O ATOM 0 H TYR A 40 -5.316 -2.040 -5.186 1.00 72.11 H new ATOM 0 HA TYR A 40 -6.427 -2.635 -2.527 1.00 52.44 H new ATOM 0 HB2 TYR A 40 -7.881 -4.118 -3.545 1.00 54.13 H new ATOM 0 HB3 TYR A 40 -7.851 -2.714 -4.594 1.00 54.13 H new ATOM 0 HD1 TYR A 40 -6.674 -2.837 -6.802 1.00 35.14 H new ATOM 0 HD2 TYR A 40 -7.122 -6.269 -4.317 1.00 62.14 H new ATOM 0 HE1 TYR A 40 -6.182 -4.288 -8.716 1.00 35.34 H new ATOM 0 HE2 TYR A 40 -6.618 -7.724 -6.229 1.00 61.51 H new ATOM 0 HH TYR A 40 -6.102 -7.840 -8.379 1.00 23.41 H new ATOM 646 N ILE A 41 -4.955 -4.560 -1.975 1.00 21.42 N ATOM 647 CA ILE A 41 -3.981 -5.568 -1.595 1.00 2.05 C ATOM 648 C ILE A 41 -4.462 -6.947 -2.032 1.00 2.50 C ATOM 649 O ILE A 41 -5.578 -7.352 -1.715 1.00 32.13 O ATOM 650 CB ILE A 41 -3.717 -5.555 -0.075 1.00 41.41 C ATOM 651 CG1 ILE A 41 -3.433 -4.125 0.398 1.00 73.41 C ATOM 652 CG2 ILE A 41 -2.543 -6.463 0.265 1.00 23.30 C ATOM 653 CD1 ILE A 41 -3.137 -4.018 1.879 1.00 1.03 C ATOM 0 H ILE A 41 -5.571 -4.256 -1.221 1.00 21.42 H new ATOM 0 HA ILE A 41 -3.042 -5.335 -2.098 1.00 2.05 H new ATOM 0 HB ILE A 41 -4.605 -5.926 0.437 1.00 41.41 H new ATOM 0 HG12 ILE A 41 -2.586 -3.729 -0.162 1.00 73.41 H new ATOM 0 HG13 ILE A 41 -4.292 -3.497 0.163 1.00 73.41 H new ATOM 0 HG21 ILE A 41 -2.368 -6.444 1.341 1.00 23.30 H new ATOM 0 HG22 ILE A 41 -2.769 -7.482 -0.048 1.00 23.30 H new ATOM 0 HG23 ILE A 41 -1.650 -6.113 -0.254 1.00 23.30 H new ATOM 0 HD11 ILE A 41 -2.946 -2.976 2.138 1.00 1.03 H new ATOM 0 HD12 ILE A 41 -3.992 -4.383 2.448 1.00 1.03 H new ATOM 0 HD13 ILE A 41 -2.259 -4.618 2.119 1.00 1.03 H new ATOM 665 N ARG A 42 -3.623 -7.653 -2.770 1.00 22.34 N ATOM 666 CA ARG A 42 -3.983 -8.956 -3.299 1.00 20.34 C ATOM 667 C ARG A 42 -3.921 -9.998 -2.188 1.00 63.04 C ATOM 668 O ARG A 42 -4.881 -10.729 -1.963 1.00 55.22 O ATOM 669 CB ARG A 42 -3.047 -9.334 -4.453 1.00 43.23 C ATOM 670 CG ARG A 42 -3.575 -10.444 -5.352 1.00 51.54 C ATOM 671 CD ARG A 42 -4.935 -10.084 -5.936 1.00 12.53 C ATOM 672 NE ARG A 42 -5.206 -10.781 -7.193 1.00 31.32 N ATOM 673 CZ ARG A 42 -6.288 -11.526 -7.423 1.00 63.24 C ATOM 674 NH1 ARG A 42 -7.125 -11.817 -6.436 1.00 65.51 N ATOM 675 NH2 ARG A 42 -6.509 -12.012 -8.640 1.00 43.45 N ATOM 0 H ARG A 42 -2.683 -7.343 -3.017 1.00 22.34 H new ATOM 0 HA ARG A 42 -5.002 -8.919 -3.685 1.00 20.34 H new ATOM 0 HB2 ARG A 42 -2.862 -8.448 -5.060 1.00 43.23 H new ATOM 0 HB3 ARG A 42 -2.087 -9.643 -4.040 1.00 43.23 H new ATOM 0 HG2 ARG A 42 -2.867 -10.628 -6.160 1.00 51.54 H new ATOM 0 HG3 ARG A 42 -3.655 -11.369 -4.782 1.00 51.54 H new ATOM 0 HD2 ARG A 42 -5.714 -10.328 -5.213 1.00 12.53 H new ATOM 0 HD3 ARG A 42 -4.982 -9.008 -6.103 1.00 12.53 H new ATOM 0 HE ARG A 42 -4.522 -10.691 -7.944 1.00 31.32 H new ATOM 0 HH11 ARG A 42 -6.943 -11.470 -5.494 1.00 65.51 H new ATOM 0 HH12 ARG A 42 -7.951 -12.387 -6.619 1.00 65.51 H new ATOM 0 HH21 ARG A 42 -5.852 -11.815 -9.395 1.00 43.45 H new ATOM 0 HH22 ARG A 42 -7.336 -12.582 -8.819 1.00 43.45 H new ATOM 689 N LYS A 43 -2.799 -10.043 -1.479 1.00 35.33 N ATOM 690 CA LYS A 43 -2.630 -10.970 -0.363 1.00 42.24 C ATOM 691 C LYS A 43 -1.613 -10.452 0.641 1.00 44.51 C ATOM 692 O LYS A 43 -0.554 -9.950 0.266 1.00 24.21 O ATOM 693 CB LYS A 43 -2.191 -12.356 -0.850 1.00 22.21 C ATOM 694 CG LYS A 43 -3.345 -13.301 -1.145 1.00 34.23 C ATOM 695 CD LYS A 43 -2.846 -14.701 -1.460 1.00 44.23 C ATOM 696 CE LYS A 43 -3.991 -15.692 -1.574 1.00 11.21 C ATOM 697 NZ LYS A 43 -3.503 -17.062 -1.873 1.00 24.21 N ATOM 0 H LYS A 43 -1.990 -9.447 -1.657 1.00 35.33 H new ATOM 0 HA LYS A 43 -3.601 -11.053 0.124 1.00 42.24 H new ATOM 0 HB2 LYS A 43 -1.590 -12.240 -1.752 1.00 22.21 H new ATOM 0 HB3 LYS A 43 -1.548 -12.808 -0.095 1.00 22.21 H new ATOM 0 HG2 LYS A 43 -4.017 -13.337 -0.287 1.00 34.23 H new ATOM 0 HG3 LYS A 43 -3.923 -12.921 -1.987 1.00 34.23 H new ATOM 0 HD2 LYS A 43 -2.284 -14.686 -2.394 1.00 44.23 H new ATOM 0 HD3 LYS A 43 -2.159 -15.027 -0.679 1.00 44.23 H new ATOM 0 HE2 LYS A 43 -4.557 -15.702 -0.643 1.00 11.21 H new ATOM 0 HE3 LYS A 43 -4.675 -15.370 -2.359 1.00 11.21 H new ATOM 0 HZ1 LYS A 43 -4.312 -17.711 -1.944 1.00 24.21 H new ATOM 0 HZ2 LYS A 43 -2.984 -17.057 -2.774 1.00 24.21 H new ATOM 0 HZ3 LYS A 43 -2.870 -17.379 -1.111 1.00 24.21 H new ATOM 711 N VAL A 44 -1.952 -10.568 1.914 1.00 42.41 N ATOM 712 CA VAL A 44 -1.026 -10.260 2.990 1.00 51.35 C ATOM 713 C VAL A 44 -0.659 -11.544 3.713 1.00 12.33 C ATOM 714 O VAL A 44 -1.533 -12.221 4.259 1.00 34.43 O ATOM 715 CB VAL A 44 -1.629 -9.267 4.010 1.00 15.33 C ATOM 716 CG1 VAL A 44 -0.616 -8.919 5.091 1.00 22.42 C ATOM 717 CG2 VAL A 44 -2.122 -8.014 3.312 1.00 30.02 C ATOM 0 H VAL A 44 -2.872 -10.877 2.229 1.00 42.41 H new ATOM 0 HA VAL A 44 -0.145 -9.795 2.547 1.00 51.35 H new ATOM 0 HB VAL A 44 -2.482 -9.749 4.488 1.00 15.33 H new ATOM 0 HG11 VAL A 44 -1.063 -8.219 5.797 1.00 22.42 H new ATOM 0 HG12 VAL A 44 -0.320 -9.826 5.618 1.00 22.42 H new ATOM 0 HG13 VAL A 44 0.262 -8.462 4.634 1.00 22.42 H new ATOM 0 HG21 VAL A 44 -2.542 -7.329 4.048 1.00 30.02 H new ATOM 0 HG22 VAL A 44 -1.289 -7.531 2.801 1.00 30.02 H new ATOM 0 HG23 VAL A 44 -2.889 -8.280 2.585 1.00 30.02 H new ATOM 727 N ALA A 45 0.615 -11.901 3.686 1.00 64.23 N ATOM 728 CA ALA A 45 1.076 -13.098 4.371 1.00 11.43 C ATOM 729 C ALA A 45 1.004 -12.898 5.882 1.00 50.12 C ATOM 730 O ALA A 45 1.276 -11.805 6.380 1.00 52.22 O ATOM 731 CB ALA A 45 2.496 -13.439 3.945 1.00 2.42 C ATOM 0 H ALA A 45 1.346 -11.382 3.199 1.00 64.23 H new ATOM 0 HA ALA A 45 0.427 -13.930 4.098 1.00 11.43 H new ATOM 0 HB1 ALA A 45 2.827 -14.337 4.467 1.00 2.42 H new ATOM 0 HB2 ALA A 45 2.521 -13.614 2.869 1.00 2.42 H new ATOM 0 HB3 ALA A 45 3.159 -12.610 4.193 1.00 2.42 H new ATOM 737 N PRO A 46 0.655 -13.956 6.633 1.00 60.35 N ATOM 738 CA PRO A 46 0.533 -13.898 8.099 1.00 13.43 C ATOM 739 C PRO A 46 1.863 -13.587 8.782 1.00 5.23 C ATOM 740 O PRO A 46 1.911 -13.289 9.973 1.00 2.44 O ATOM 741 CB PRO A 46 0.053 -15.304 8.483 1.00 22.42 C ATOM 742 CG PRO A 46 -0.498 -15.883 7.225 1.00 41.30 C ATOM 743 CD PRO A 46 0.322 -15.292 6.116 1.00 55.42 C ATOM 0 HA PRO A 46 -0.144 -13.104 8.414 1.00 13.43 H new ATOM 0 HB2 PRO A 46 0.873 -15.909 8.869 1.00 22.42 H new ATOM 0 HB3 PRO A 46 -0.707 -15.262 9.263 1.00 22.42 H new ATOM 0 HG2 PRO A 46 -0.426 -16.971 7.229 1.00 41.30 H new ATOM 0 HG3 PRO A 46 -1.553 -15.634 7.108 1.00 41.30 H new ATOM 0 HD2 PRO A 46 1.216 -15.882 5.915 1.00 55.42 H new ATOM 0 HD3 PRO A 46 -0.239 -15.236 5.183 1.00 55.42 H new ATOM 751 N LEU A 47 2.936 -13.655 8.007 1.00 0.14 N ATOM 752 CA LEU A 47 4.272 -13.357 8.501 1.00 41.34 C ATOM 753 C LEU A 47 4.504 -11.850 8.517 1.00 0.12 C ATOM 754 O LEU A 47 5.497 -11.366 9.058 1.00 53.01 O ATOM 755 CB LEU A 47 5.312 -14.021 7.600 1.00 25.31 C ATOM 756 CG LEU A 47 5.067 -15.499 7.307 1.00 22.35 C ATOM 757 CD1 LEU A 47 6.026 -15.998 6.238 1.00 65.45 C ATOM 758 CD2 LEU A 47 5.203 -16.327 8.576 1.00 4.52 C ATOM 0 H LEU A 47 2.905 -13.917 7.022 1.00 0.14 H new ATOM 0 HA LEU A 47 4.366 -13.743 9.516 1.00 41.34 H new ATOM 0 HB2 LEU A 47 5.349 -13.480 6.654 1.00 25.31 H new ATOM 0 HB3 LEU A 47 6.292 -13.917 8.065 1.00 25.31 H new ATOM 0 HG LEU A 47 4.049 -15.610 6.934 1.00 22.35 H new ATOM 0 HD11 LEU A 47 5.836 -17.053 6.043 1.00 65.45 H new ATOM 0 HD12 LEU A 47 5.878 -15.427 5.321 1.00 65.45 H new ATOM 0 HD13 LEU A 47 7.052 -15.872 6.582 1.00 65.45 H new ATOM 0 HD21 LEU A 47 5.025 -17.377 8.346 1.00 4.52 H new ATOM 0 HD22 LEU A 47 6.208 -16.210 8.981 1.00 4.52 H new ATOM 0 HD23 LEU A 47 4.474 -15.988 9.312 1.00 4.52 H new ATOM 770 N GLY A 48 3.585 -11.116 7.901 1.00 54.13 N ATOM 771 CA GLY A 48 3.735 -9.682 7.777 1.00 30.23 C ATOM 772 C GLY A 48 4.428 -9.311 6.486 1.00 11.43 C ATOM 773 O GLY A 48 4.446 -8.148 6.081 1.00 54.22 O ATOM 0 H GLY A 48 2.734 -11.493 7.483 1.00 54.13 H new ATOM 0 HA2 GLY A 48 2.755 -9.207 7.815 1.00 30.23 H new ATOM 0 HA3 GLY A 48 4.307 -9.300 8.622 1.00 30.23 H new ATOM 777 N ASP A 49 5.000 -10.316 5.843 1.00 25.40 N ATOM 778 CA ASP A 49 5.689 -10.143 4.577 1.00 44.33 C ATOM 779 C ASP A 49 5.788 -11.485 3.867 1.00 33.52 C ATOM 780 O ASP A 49 5.823 -12.532 4.515 1.00 30.11 O ATOM 781 CB ASP A 49 7.097 -9.565 4.788 1.00 70.51 C ATOM 782 CG ASP A 49 8.074 -10.572 5.370 1.00 20.22 C ATOM 783 OD1 ASP A 49 8.034 -10.816 6.596 1.00 43.23 O ATOM 784 OD2 ASP A 49 8.899 -11.116 4.607 1.00 62.04 O ATOM 0 H ASP A 49 4.999 -11.277 6.186 1.00 25.40 H new ATOM 0 HA ASP A 49 5.120 -9.441 3.967 1.00 44.33 H new ATOM 0 HB2 ASP A 49 7.482 -9.204 3.834 1.00 70.51 H new ATOM 0 HB3 ASP A 49 7.034 -8.703 5.453 1.00 70.51 H new ATOM 790 N PRO A 50 5.807 -11.480 2.530 1.00 30.33 N ATOM 791 CA PRO A 50 5.648 -10.266 1.737 1.00 15.51 C ATOM 792 C PRO A 50 4.179 -9.900 1.529 1.00 71.12 C ATOM 793 O PRO A 50 3.290 -10.748 1.628 1.00 52.11 O ATOM 794 CB PRO A 50 6.298 -10.644 0.410 1.00 21.11 C ATOM 795 CG PRO A 50 6.056 -12.110 0.279 1.00 21.41 C ATOM 796 CD PRO A 50 6.011 -12.667 1.680 1.00 61.24 C ATOM 0 HA PRO A 50 6.090 -9.393 2.217 1.00 15.51 H new ATOM 0 HB2 PRO A 50 5.855 -10.093 -0.420 1.00 21.11 H new ATOM 0 HB3 PRO A 50 7.364 -10.416 0.411 1.00 21.11 H new ATOM 0 HG2 PRO A 50 5.120 -12.303 -0.245 1.00 21.41 H new ATOM 0 HG3 PRO A 50 6.849 -12.583 -0.301 1.00 21.41 H new ATOM 0 HD2 PRO A 50 5.200 -13.386 1.798 1.00 61.24 H new ATOM 0 HD3 PRO A 50 6.936 -13.185 1.933 1.00 61.24 H new ATOM 804 N ILE A 51 3.936 -8.634 1.246 1.00 43.42 N ATOM 805 CA ILE A 51 2.596 -8.154 0.972 1.00 2.12 C ATOM 806 C ILE A 51 2.419 -7.969 -0.526 1.00 10.21 C ATOM 807 O ILE A 51 3.138 -7.196 -1.160 1.00 40.45 O ATOM 808 CB ILE A 51 2.299 -6.830 1.708 1.00 50.23 C ATOM 809 CG1 ILE A 51 2.450 -7.024 3.221 1.00 24.13 C ATOM 810 CG2 ILE A 51 0.902 -6.327 1.364 1.00 3.51 C ATOM 811 CD1 ILE A 51 2.199 -5.769 4.028 1.00 52.53 C ATOM 0 H ILE A 51 4.657 -7.914 1.200 1.00 43.42 H new ATOM 0 HA ILE A 51 1.889 -8.898 1.339 1.00 2.12 H new ATOM 0 HB ILE A 51 3.018 -6.079 1.381 1.00 50.23 H new ATOM 0 HG12 ILE A 51 1.758 -7.800 3.549 1.00 24.13 H new ATOM 0 HG13 ILE A 51 3.457 -7.385 3.432 1.00 24.13 H new ATOM 0 HG21 ILE A 51 0.711 -5.393 1.892 1.00 3.51 H new ATOM 0 HG22 ILE A 51 0.831 -6.157 0.290 1.00 3.51 H new ATOM 0 HG23 ILE A 51 0.164 -7.071 1.664 1.00 3.51 H new ATOM 0 HD11 ILE A 51 2.325 -5.987 5.089 1.00 52.53 H new ATOM 0 HD12 ILE A 51 2.908 -4.997 3.730 1.00 52.53 H new ATOM 0 HD13 ILE A 51 1.183 -5.418 3.848 1.00 52.53 H new ATOM 823 N GLN A 52 1.481 -8.705 -1.089 1.00 55.03 N ATOM 824 CA GLN A 52 1.236 -8.677 -2.520 1.00 73.12 C ATOM 825 C GLN A 52 0.189 -7.623 -2.844 1.00 30.45 C ATOM 826 O GLN A 52 -0.967 -7.756 -2.449 1.00 64.43 O ATOM 827 CB GLN A 52 0.744 -10.047 -2.995 1.00 72.33 C ATOM 828 CG GLN A 52 1.556 -11.216 -2.462 1.00 51.33 C ATOM 829 CD GLN A 52 2.978 -11.250 -2.988 1.00 43.14 C ATOM 830 OE1 GLN A 52 3.247 -11.848 -4.027 1.00 34.50 O ATOM 831 NE2 GLN A 52 3.901 -10.624 -2.275 1.00 51.43 N ATOM 0 H GLN A 52 0.869 -9.337 -0.572 1.00 55.03 H new ATOM 0 HA GLN A 52 2.167 -8.433 -3.032 1.00 73.12 H new ATOM 0 HB2 GLN A 52 -0.296 -10.173 -2.693 1.00 72.33 H new ATOM 0 HB3 GLN A 52 0.764 -10.071 -4.085 1.00 72.33 H new ATOM 0 HG2 GLN A 52 1.580 -11.166 -1.373 1.00 51.33 H new ATOM 0 HG3 GLN A 52 1.056 -12.147 -2.727 1.00 51.33 H new ATOM 0 HE21 GLN A 52 3.640 -10.138 -1.417 1.00 51.43 H new ATOM 0 HE22 GLN A 52 4.873 -10.628 -2.583 1.00 51.43 H new ATOM 840 N ILE A 53 0.588 -6.580 -3.553 1.00 61.42 N ATOM 841 CA ILE A 53 -0.334 -5.513 -3.921 1.00 62.52 C ATOM 842 C ILE A 53 -0.415 -5.371 -5.435 1.00 51.53 C ATOM 843 O ILE A 53 0.456 -5.856 -6.156 1.00 14.32 O ATOM 844 CB ILE A 53 0.072 -4.158 -3.302 1.00 24.31 C ATOM 845 CG1 ILE A 53 1.508 -3.796 -3.697 1.00 4.13 C ATOM 846 CG2 ILE A 53 -0.080 -4.198 -1.786 1.00 62.50 C ATOM 847 CD1 ILE A 53 1.941 -2.425 -3.230 1.00 71.12 C ATOM 0 H ILE A 53 1.543 -6.447 -3.886 1.00 61.42 H new ATOM 0 HA ILE A 53 -1.311 -5.790 -3.526 1.00 62.52 H new ATOM 0 HB ILE A 53 -0.592 -3.386 -3.691 1.00 24.31 H new ATOM 0 HG12 ILE A 53 2.188 -4.542 -3.284 1.00 4.13 H new ATOM 0 HG13 ILE A 53 1.600 -3.846 -4.782 1.00 4.13 H new ATOM 0 HG21 ILE A 53 0.210 -3.235 -1.366 1.00 62.50 H new ATOM 0 HG22 ILE A 53 -1.119 -4.407 -1.530 1.00 62.50 H new ATOM 0 HG23 ILE A 53 0.559 -4.980 -1.377 1.00 62.50 H new ATOM 0 HD11 ILE A 53 2.967 -2.240 -3.547 1.00 71.12 H new ATOM 0 HD12 ILE A 53 1.286 -1.669 -3.663 1.00 71.12 H new ATOM 0 HD13 ILE A 53 1.882 -2.376 -2.143 1.00 71.12 H new ATOM 859 N ASN A 54 -1.461 -4.718 -5.913 1.00 25.15 N ATOM 860 CA ASN A 54 -1.643 -4.515 -7.344 1.00 52.13 C ATOM 861 C ASN A 54 -1.849 -3.038 -7.646 1.00 12.10 C ATOM 862 O ASN A 54 -2.830 -2.435 -7.213 1.00 51.32 O ATOM 863 CB ASN A 54 -2.829 -5.339 -7.851 1.00 2.32 C ATOM 864 CG ASN A 54 -3.023 -5.242 -9.354 1.00 34.44 C ATOM 865 OD1 ASN A 54 -3.731 -4.369 -9.849 1.00 54.10 O ATOM 866 ND2 ASN A 54 -2.406 -6.157 -10.087 1.00 11.31 N ATOM 0 H ASN A 54 -2.198 -4.319 -5.332 1.00 25.15 H new ATOM 0 HA ASN A 54 -0.744 -4.850 -7.862 1.00 52.13 H new ATOM 0 HB2 ASN A 54 -2.682 -6.384 -7.576 1.00 2.32 H new ATOM 0 HB3 ASN A 54 -3.737 -5.003 -7.351 1.00 2.32 H new ATOM 0 HD21 ASN A 54 -2.510 -6.153 -11.102 1.00 11.31 H new ATOM 0 HD22 ASN A 54 -1.827 -6.865 -9.637 1.00 11.31 H new ATOM 873 N VAL A 55 -0.900 -2.458 -8.368 1.00 24.54 N ATOM 874 CA VAL A 55 -0.957 -1.048 -8.726 1.00 33.32 C ATOM 875 C VAL A 55 -0.818 -0.905 -10.235 1.00 51.33 C ATOM 876 O VAL A 55 -0.034 -1.636 -10.850 1.00 2.04 O ATOM 877 CB VAL A 55 0.164 -0.233 -8.036 1.00 71.04 C ATOM 878 CG1 VAL A 55 -0.043 1.262 -8.237 1.00 72.24 C ATOM 879 CG2 VAL A 55 0.259 -0.572 -6.557 1.00 13.33 C ATOM 0 H VAL A 55 -0.076 -2.946 -8.719 1.00 24.54 H new ATOM 0 HA VAL A 55 -1.917 -0.657 -8.389 1.00 33.32 H new ATOM 0 HB VAL A 55 1.109 -0.508 -8.504 1.00 71.04 H new ATOM 0 HG11 VAL A 55 0.759 1.810 -7.742 1.00 72.24 H new ATOM 0 HG12 VAL A 55 -0.035 1.490 -9.303 1.00 72.24 H new ATOM 0 HG13 VAL A 55 -1.002 1.557 -7.810 1.00 72.24 H new ATOM 0 HG21 VAL A 55 1.055 0.016 -6.099 1.00 13.33 H new ATOM 0 HG22 VAL A 55 -0.688 -0.342 -6.069 1.00 13.33 H new ATOM 0 HG23 VAL A 55 0.479 -1.633 -6.440 1.00 13.33 H new ATOM 889 N ARG A 56 -1.583 0.027 -10.817 1.00 51.21 N ATOM 890 CA ARG A 56 -1.607 0.255 -12.269 1.00 51.34 C ATOM 891 C ARG A 56 -2.212 -0.955 -12.978 1.00 63.22 C ATOM 892 O ARG A 56 -3.349 -0.922 -13.448 1.00 53.40 O ATOM 893 CB ARG A 56 -0.197 0.525 -12.827 1.00 33.43 C ATOM 894 CG ARG A 56 0.597 1.582 -12.072 1.00 11.12 C ATOM 895 CD ARG A 56 -0.075 2.945 -12.115 1.00 12.24 C ATOM 896 NE ARG A 56 0.758 3.976 -11.495 1.00 3.24 N ATOM 897 CZ ARG A 56 0.286 5.104 -10.968 1.00 20.10 C ATOM 898 NH1 ARG A 56 -1.022 5.342 -10.958 1.00 4.34 N ATOM 899 NH2 ARG A 56 1.120 5.991 -10.438 1.00 24.51 N ATOM 0 H ARG A 56 -2.204 0.645 -10.295 1.00 51.21 H new ATOM 0 HA ARG A 56 -2.219 1.138 -12.453 1.00 51.34 H new ATOM 0 HB2 ARG A 56 0.367 -0.408 -12.818 1.00 33.43 H new ATOM 0 HB3 ARG A 56 -0.287 0.833 -13.869 1.00 33.43 H new ATOM 0 HG2 ARG A 56 0.718 1.271 -11.034 1.00 11.12 H new ATOM 0 HG3 ARG A 56 1.596 1.658 -12.500 1.00 11.12 H new ATOM 0 HD2 ARG A 56 -0.281 3.217 -13.150 1.00 12.24 H new ATOM 0 HD3 ARG A 56 -1.035 2.894 -11.601 1.00 12.24 H new ATOM 0 HE ARG A 56 1.766 3.820 -11.465 1.00 3.24 H new ATOM 0 HH11 ARG A 56 -1.668 4.659 -11.355 1.00 4.34 H new ATOM 0 HH12 ARG A 56 -1.380 6.207 -10.553 1.00 4.34 H new ATOM 0 HH21 ARG A 56 2.124 5.809 -10.434 1.00 24.51 H new ATOM 0 HH22 ARG A 56 0.757 6.855 -10.035 1.00 24.51 H new ATOM 913 N GLY A 57 -1.430 -2.019 -13.034 1.00 10.05 N ATOM 914 CA GLY A 57 -1.866 -3.276 -13.598 1.00 40.01 C ATOM 915 C GLY A 57 -0.819 -4.342 -13.364 1.00 5.54 C ATOM 916 O GLY A 57 -0.756 -5.344 -14.077 1.00 4.34 O ATOM 0 H GLY A 57 -0.471 -2.031 -12.687 1.00 10.05 H new ATOM 0 HA2 GLY A 57 -2.811 -3.578 -13.146 1.00 40.01 H new ATOM 0 HA3 GLY A 57 -2.046 -3.161 -14.667 1.00 40.01 H new ATOM 920 N TYR A 58 0.005 -4.118 -12.349 1.00 42.31 N ATOM 921 CA TYR A 58 1.154 -4.966 -12.079 1.00 34.13 C ATOM 922 C TYR A 58 1.117 -5.431 -10.625 1.00 22.33 C ATOM 923 O TYR A 58 0.711 -4.677 -9.736 1.00 73.00 O ATOM 924 CB TYR A 58 2.437 -4.171 -12.353 1.00 44.21 C ATOM 925 CG TYR A 58 3.679 -5.014 -12.540 1.00 52.25 C ATOM 926 CD1 TYR A 58 4.381 -5.512 -11.449 1.00 22.42 C ATOM 927 CD2 TYR A 58 4.156 -5.295 -13.812 1.00 63.14 C ATOM 928 CE1 TYR A 58 5.524 -6.268 -11.623 1.00 14.02 C ATOM 929 CE2 TYR A 58 5.297 -6.054 -13.995 1.00 3.40 C ATOM 930 CZ TYR A 58 5.978 -6.538 -12.898 1.00 41.11 C ATOM 931 OH TYR A 58 7.123 -7.288 -13.074 1.00 33.34 O ATOM 0 H TYR A 58 -0.105 -3.345 -11.692 1.00 42.31 H new ATOM 0 HA TYR A 58 1.130 -5.843 -12.726 1.00 34.13 H new ATOM 0 HB2 TYR A 58 2.288 -3.565 -13.247 1.00 44.21 H new ATOM 0 HB3 TYR A 58 2.604 -3.482 -11.525 1.00 44.21 H new ATOM 0 HD1 TYR A 58 4.028 -5.305 -10.450 1.00 22.42 H new ATOM 0 HD2 TYR A 58 3.627 -4.915 -14.674 1.00 63.14 H new ATOM 0 HE1 TYR A 58 6.060 -6.646 -10.765 1.00 14.02 H new ATOM 0 HE2 TYR A 58 5.653 -6.267 -14.992 1.00 3.40 H new ATOM 0 HH TYR A 58 7.305 -7.387 -14.032 1.00 33.34 H new ATOM 941 N GLU A 59 1.526 -6.670 -10.388 1.00 63.11 N ATOM 942 CA GLU A 59 1.551 -7.221 -9.042 1.00 21.21 C ATOM 943 C GLU A 59 2.889 -6.929 -8.383 1.00 23.44 C ATOM 944 O GLU A 59 3.917 -7.491 -8.762 1.00 50.51 O ATOM 945 CB GLU A 59 1.317 -8.729 -9.078 1.00 75.44 C ATOM 946 CG GLU A 59 0.069 -9.142 -9.837 1.00 53.20 C ATOM 947 CD GLU A 59 -0.089 -10.645 -9.901 1.00 11.43 C ATOM 948 OE1 GLU A 59 0.460 -11.267 -10.837 1.00 13.34 O ATOM 949 OE2 GLU A 59 -0.757 -11.216 -9.017 1.00 11.32 O ATOM 0 H GLU A 59 1.845 -7.313 -11.113 1.00 63.11 H new ATOM 0 HA GLU A 59 0.754 -6.753 -8.464 1.00 21.21 H new ATOM 0 HB2 GLU A 59 2.183 -9.210 -9.533 1.00 75.44 H new ATOM 0 HB3 GLU A 59 1.247 -9.100 -8.055 1.00 75.44 H new ATOM 0 HG2 GLU A 59 -0.807 -8.706 -9.357 1.00 53.20 H new ATOM 0 HG3 GLU A 59 0.111 -8.739 -10.849 1.00 53.20 H new ATOM 957 N LEU A 60 2.869 -6.068 -7.389 1.00 15.01 N ATOM 958 CA LEU A 60 4.083 -5.648 -6.716 1.00 45.03 C ATOM 959 C LEU A 60 4.269 -6.410 -5.412 1.00 3.03 C ATOM 960 O LEU A 60 3.349 -6.503 -4.596 1.00 43.34 O ATOM 961 CB LEU A 60 4.040 -4.146 -6.437 1.00 25.35 C ATOM 962 CG LEU A 60 3.930 -3.258 -7.678 1.00 3.21 C ATOM 963 CD1 LEU A 60 3.737 -1.804 -7.279 1.00 3.21 C ATOM 964 CD2 LEU A 60 5.167 -3.407 -8.552 1.00 73.50 C ATOM 0 H LEU A 60 2.018 -5.640 -7.025 1.00 15.01 H new ATOM 0 HA LEU A 60 4.927 -5.867 -7.370 1.00 45.03 H new ATOM 0 HB2 LEU A 60 3.192 -3.938 -5.784 1.00 25.35 H new ATOM 0 HB3 LEU A 60 4.940 -3.868 -5.889 1.00 25.35 H new ATOM 0 HG LEU A 60 3.060 -3.578 -8.251 1.00 3.21 H new ATOM 0 HD11 LEU A 60 3.661 -1.188 -8.175 1.00 3.21 H new ATOM 0 HD12 LEU A 60 2.824 -1.706 -6.692 1.00 3.21 H new ATOM 0 HD13 LEU A 60 4.588 -1.474 -6.683 1.00 3.21 H new ATOM 0 HD21 LEU A 60 5.071 -2.768 -9.430 1.00 73.50 H new ATOM 0 HD22 LEU A 60 6.051 -3.114 -7.985 1.00 73.50 H new ATOM 0 HD23 LEU A 60 5.266 -4.445 -8.868 1.00 73.50 H new ATOM 976 N SER A 61 5.455 -6.967 -5.227 1.00 0.32 N ATOM 977 CA SER A 61 5.792 -7.640 -3.988 1.00 21.41 C ATOM 978 C SER A 61 6.481 -6.665 -3.042 1.00 73.20 C ATOM 979 O SER A 61 7.634 -6.285 -3.259 1.00 64.15 O ATOM 980 CB SER A 61 6.701 -8.838 -4.269 1.00 74.04 C ATOM 981 OG SER A 61 6.067 -9.771 -5.131 1.00 50.51 O ATOM 0 H SER A 61 6.201 -6.965 -5.923 1.00 0.32 H new ATOM 0 HA SER A 61 4.877 -8.001 -3.519 1.00 21.41 H new ATOM 0 HB2 SER A 61 7.631 -8.494 -4.722 1.00 74.04 H new ATOM 0 HB3 SER A 61 6.965 -9.326 -3.331 1.00 74.04 H new ATOM 0 HG SER A 61 6.670 -10.526 -5.296 1.00 50.51 H new ATOM 987 N LEU A 62 5.765 -6.241 -2.015 1.00 12.14 N ATOM 988 CA LEU A 62 6.302 -5.292 -1.056 1.00 73.32 C ATOM 989 C LEU A 62 6.563 -5.997 0.264 1.00 33.05 C ATOM 990 O LEU A 62 5.887 -6.968 0.596 1.00 63.32 O ATOM 991 CB LEU A 62 5.316 -4.138 -0.857 1.00 12.42 C ATOM 992 CG LEU A 62 5.854 -2.958 -0.051 1.00 70.44 C ATOM 993 CD1 LEU A 62 7.017 -2.308 -0.781 1.00 40.22 C ATOM 994 CD2 LEU A 62 4.750 -1.949 0.211 1.00 11.34 C ATOM 0 H LEU A 62 4.809 -6.540 -1.824 1.00 12.14 H new ATOM 0 HA LEU A 62 7.241 -4.886 -1.433 1.00 73.32 H new ATOM 0 HB2 LEU A 62 5.002 -3.776 -1.836 1.00 12.42 H new ATOM 0 HB3 LEU A 62 4.426 -4.523 -0.359 1.00 12.42 H new ATOM 0 HG LEU A 62 6.215 -3.325 0.910 1.00 70.44 H new ATOM 0 HD11 LEU A 62 7.391 -1.468 -0.195 1.00 40.22 H new ATOM 0 HD12 LEU A 62 7.814 -3.038 -0.918 1.00 40.22 H new ATOM 0 HD13 LEU A 62 6.681 -1.950 -1.754 1.00 40.22 H new ATOM 0 HD21 LEU A 62 5.149 -1.114 0.787 1.00 11.34 H new ATOM 0 HD22 LEU A 62 4.360 -1.582 -0.738 1.00 11.34 H new ATOM 0 HD23 LEU A 62 3.947 -2.426 0.773 1.00 11.34 H new ATOM 1006 N ARG A 63 7.551 -5.534 1.007 1.00 12.34 N ATOM 1007 CA ARG A 63 7.840 -6.126 2.297 1.00 75.01 C ATOM 1008 C ARG A 63 7.400 -5.209 3.427 1.00 64.13 C ATOM 1009 O ARG A 63 7.080 -4.037 3.206 1.00 72.21 O ATOM 1010 CB ARG A 63 9.322 -6.482 2.416 1.00 3.45 C ATOM 1011 CG ARG A 63 9.693 -7.690 1.577 1.00 21.30 C ATOM 1012 CD ARG A 63 11.152 -8.073 1.730 1.00 0.31 C ATOM 1013 NE ARG A 63 11.441 -9.333 1.051 1.00 44.33 N ATOM 1014 CZ ARG A 63 12.457 -9.519 0.209 1.00 4.12 C ATOM 1015 NH1 ARG A 63 13.325 -8.545 -0.029 1.00 31.21 N ATOM 1016 NH2 ARG A 63 12.620 -10.693 -0.384 1.00 41.12 N ATOM 0 H ARG A 63 8.160 -4.759 0.743 1.00 12.34 H new ATOM 0 HA ARG A 63 7.269 -7.051 2.380 1.00 75.01 H new ATOM 0 HB2 ARG A 63 9.924 -5.628 2.106 1.00 3.45 H new ATOM 0 HB3 ARG A 63 9.563 -6.680 3.460 1.00 3.45 H new ATOM 0 HG2 ARG A 63 9.066 -8.535 1.864 1.00 21.30 H new ATOM 0 HG3 ARG A 63 9.483 -7.479 0.528 1.00 21.30 H new ATOM 0 HD2 ARG A 63 11.783 -7.284 1.321 1.00 0.31 H new ATOM 0 HD3 ARG A 63 11.398 -8.162 2.788 1.00 0.31 H new ATOM 0 HE ARG A 63 10.824 -10.124 1.233 1.00 44.33 H new ATOM 0 HH11 ARG A 63 13.219 -7.643 0.434 1.00 31.21 H new ATOM 0 HH12 ARG A 63 14.099 -8.698 -0.675 1.00 31.21 H new ATOM 0 HH21 ARG A 63 11.968 -11.454 -0.196 1.00 41.12 H new ATOM 0 HH22 ARG A 63 13.398 -10.835 -1.028 1.00 41.12 H new ATOM 1030 N LYS A 64 7.389 -5.759 4.636 1.00 60.22 N ATOM 1031 CA LYS A 64 6.870 -5.065 5.810 1.00 52.23 C ATOM 1032 C LYS A 64 7.602 -3.750 6.059 1.00 35.55 C ATOM 1033 O LYS A 64 7.017 -2.802 6.571 1.00 34.11 O ATOM 1034 CB LYS A 64 6.976 -5.976 7.038 1.00 72.23 C ATOM 1035 CG LYS A 64 8.408 -6.308 7.447 1.00 2.44 C ATOM 1036 CD LYS A 64 8.586 -7.790 7.736 1.00 32.12 C ATOM 1037 CE LYS A 64 7.611 -8.286 8.789 1.00 70.45 C ATOM 1038 NZ LYS A 64 7.762 -9.743 9.039 1.00 63.20 N ATOM 0 H LYS A 64 7.739 -6.697 4.830 1.00 60.22 H new ATOM 0 HA LYS A 64 5.823 -4.824 5.625 1.00 52.23 H new ATOM 0 HB2 LYS A 64 6.472 -5.496 7.877 1.00 72.23 H new ATOM 0 HB3 LYS A 64 6.443 -6.905 6.835 1.00 72.23 H new ATOM 0 HG2 LYS A 64 9.091 -6.009 6.652 1.00 2.44 H new ATOM 0 HG3 LYS A 64 8.676 -5.731 8.332 1.00 2.44 H new ATOM 0 HD2 LYS A 64 8.446 -8.358 6.816 1.00 32.12 H new ATOM 0 HD3 LYS A 64 9.607 -7.974 8.072 1.00 32.12 H new ATOM 0 HE2 LYS A 64 7.771 -7.739 9.718 1.00 70.45 H new ATOM 0 HE3 LYS A 64 6.591 -8.076 8.467 1.00 70.45 H new ATOM 0 HZ1 LYS A 64 6.831 -10.159 9.242 1.00 63.20 H new ATOM 0 HZ2 LYS A 64 8.169 -10.199 8.198 1.00 63.20 H new ATOM 0 HZ3 LYS A 64 8.392 -9.892 9.853 1.00 63.20 H new ATOM 1052 N SER A 65 8.871 -3.698 5.663 1.00 3.51 N ATOM 1053 CA SER A 65 9.705 -2.522 5.872 1.00 20.51 C ATOM 1054 C SER A 65 9.039 -1.265 5.311 1.00 5.54 C ATOM 1055 O SER A 65 8.885 -0.266 6.012 1.00 2.41 O ATOM 1056 CB SER A 65 11.058 -2.738 5.196 1.00 30.15 C ATOM 1057 OG SER A 65 11.534 -4.053 5.434 1.00 42.14 O ATOM 0 H SER A 65 9.347 -4.467 5.191 1.00 3.51 H new ATOM 0 HA SER A 65 9.843 -2.380 6.944 1.00 20.51 H new ATOM 0 HB2 SER A 65 10.965 -2.568 4.123 1.00 30.15 H new ATOM 0 HB3 SER A 65 11.778 -2.012 5.573 1.00 30.15 H new ATOM 0 HG SER A 65 12.400 -4.172 4.992 1.00 42.14 H new ATOM 1063 N ALA A 66 8.641 -1.325 4.047 1.00 53.54 N ATOM 1064 CA ALA A 66 8.010 -0.187 3.396 1.00 14.33 C ATOM 1065 C ALA A 66 6.561 -0.029 3.844 1.00 33.15 C ATOM 1066 O ALA A 66 6.087 1.084 4.050 1.00 2.42 O ATOM 1067 CB ALA A 66 8.092 -0.323 1.886 1.00 61.12 C ATOM 0 H ALA A 66 8.744 -2.148 3.454 1.00 53.54 H new ATOM 0 HA ALA A 66 8.551 0.712 3.692 1.00 14.33 H new ATOM 0 HB1 ALA A 66 7.615 0.537 1.417 1.00 61.12 H new ATOM 0 HB2 ALA A 66 9.137 -0.369 1.581 1.00 61.12 H new ATOM 0 HB3 ALA A 66 7.583 -1.235 1.575 1.00 61.12 H new ATOM 1073 N ALA A 67 5.865 -1.151 4.011 1.00 53.33 N ATOM 1074 CA ALA A 67 4.451 -1.130 4.383 1.00 24.21 C ATOM 1075 C ALA A 67 4.238 -0.519 5.769 1.00 74.52 C ATOM 1076 O ALA A 67 3.136 -0.074 6.099 1.00 12.52 O ATOM 1077 CB ALA A 67 3.867 -2.533 4.320 1.00 51.54 C ATOM 0 H ALA A 67 6.256 -2.086 3.895 1.00 53.33 H new ATOM 0 HA ALA A 67 3.929 -0.498 3.665 1.00 24.21 H new ATOM 0 HB1 ALA A 67 2.814 -2.502 4.599 1.00 51.54 H new ATOM 0 HB2 ALA A 67 3.962 -2.921 3.306 1.00 51.54 H new ATOM 0 HB3 ALA A 67 4.406 -3.183 5.009 1.00 51.54 H new ATOM 1083 N GLU A 68 5.292 -0.503 6.572 1.00 52.13 N ATOM 1084 CA GLU A 68 5.251 0.104 7.899 1.00 54.20 C ATOM 1085 C GLU A 68 5.470 1.612 7.832 1.00 63.01 C ATOM 1086 O GLU A 68 5.275 2.320 8.819 1.00 43.41 O ATOM 1087 CB GLU A 68 6.320 -0.523 8.794 1.00 73.41 C ATOM 1088 CG GLU A 68 5.934 -1.880 9.356 1.00 22.15 C ATOM 1089 CD GLU A 68 4.990 -1.769 10.533 1.00 21.41 C ATOM 1090 OE1 GLU A 68 5.031 -2.651 11.410 1.00 50.24 O ATOM 1091 OE2 GLU A 68 4.222 -0.787 10.600 1.00 75.34 O ATOM 0 H GLU A 68 6.196 -0.907 6.326 1.00 52.13 H new ATOM 0 HA GLU A 68 4.261 -0.081 8.317 1.00 54.20 H new ATOM 0 HB2 GLU A 68 7.243 -0.626 8.223 1.00 73.41 H new ATOM 0 HB3 GLU A 68 6.531 0.155 9.621 1.00 73.41 H new ATOM 0 HG2 GLU A 68 5.465 -2.475 8.572 1.00 22.15 H new ATOM 0 HG3 GLU A 68 6.834 -2.412 9.664 1.00 22.15 H new ATOM 1099 N MET A 69 5.875 2.103 6.673 1.00 43.15 N ATOM 1100 CA MET A 69 6.221 3.508 6.539 1.00 41.41 C ATOM 1101 C MET A 69 5.309 4.209 5.530 1.00 23.21 C ATOM 1102 O MET A 69 5.420 5.418 5.307 1.00 24.11 O ATOM 1103 CB MET A 69 7.688 3.638 6.125 1.00 44.01 C ATOM 1104 CG MET A 69 8.344 4.954 6.524 1.00 30.05 C ATOM 1105 SD MET A 69 8.623 5.112 8.307 1.00 12.31 S ATOM 1106 CE MET A 69 6.977 5.474 8.924 1.00 65.03 C ATOM 0 H MET A 69 5.972 1.555 5.818 1.00 43.15 H new ATOM 0 HA MET A 69 6.077 3.996 7.503 1.00 41.41 H new ATOM 0 HB2 MET A 69 8.251 2.817 6.568 1.00 44.01 H new ATOM 0 HB3 MET A 69 7.758 3.525 5.043 1.00 44.01 H new ATOM 0 HG2 MET A 69 9.298 5.047 6.005 1.00 30.05 H new ATOM 0 HG3 MET A 69 7.717 5.780 6.188 1.00 30.05 H new ATOM 0 HE1 MET A 69 7.027 6.303 9.630 1.00 65.03 H new ATOM 0 HE2 MET A 69 6.328 5.746 8.091 1.00 65.03 H new ATOM 0 HE3 MET A 69 6.575 4.594 9.425 1.00 65.03 H new ATOM 1116 N ILE A 70 4.407 3.450 4.925 1.00 20.42 N ATOM 1117 CA ILE A 70 3.451 4.007 3.978 1.00 44.32 C ATOM 1118 C ILE A 70 2.156 4.386 4.690 1.00 71.14 C ATOM 1119 O ILE A 70 1.580 3.579 5.422 1.00 25.42 O ATOM 1120 CB ILE A 70 3.142 3.020 2.830 1.00 32.21 C ATOM 1121 CG1 ILE A 70 4.413 2.712 2.037 1.00 73.11 C ATOM 1122 CG2 ILE A 70 2.066 3.583 1.910 1.00 30.45 C ATOM 1123 CD1 ILE A 70 4.209 1.713 0.917 1.00 60.51 C ATOM 0 H ILE A 70 4.317 2.445 5.073 1.00 20.42 H new ATOM 0 HA ILE A 70 3.904 4.899 3.546 1.00 44.32 H new ATOM 0 HB ILE A 70 2.769 2.093 3.266 1.00 32.21 H new ATOM 0 HG12 ILE A 70 4.802 3.640 1.617 1.00 73.11 H new ATOM 0 HG13 ILE A 70 5.172 2.329 2.719 1.00 73.11 H new ATOM 0 HG21 ILE A 70 1.864 2.872 1.109 1.00 30.45 H new ATOM 0 HG22 ILE A 70 1.153 3.756 2.481 1.00 30.45 H new ATOM 0 HG23 ILE A 70 2.410 4.524 1.482 1.00 30.45 H new ATOM 0 HD11 ILE A 70 5.155 1.546 0.401 1.00 60.51 H new ATOM 0 HD12 ILE A 70 3.850 0.771 1.331 1.00 60.51 H new ATOM 0 HD13 ILE A 70 3.475 2.102 0.212 1.00 60.51 H new ATOM 1135 N GLU A 71 1.722 5.619 4.476 1.00 0.35 N ATOM 1136 CA GLU A 71 0.502 6.139 5.077 1.00 34.13 C ATOM 1137 C GLU A 71 -0.668 5.938 4.120 1.00 22.33 C ATOM 1138 O GLU A 71 -0.673 6.501 3.017 1.00 21.01 O ATOM 1139 CB GLU A 71 0.680 7.628 5.365 1.00 25.21 C ATOM 1140 CG GLU A 71 -0.415 8.247 6.208 1.00 2.01 C ATOM 1141 CD GLU A 71 -0.089 8.198 7.679 1.00 2.12 C ATOM 1142 OE1 GLU A 71 0.991 8.705 8.064 1.00 22.44 O ATOM 1143 OE2 GLU A 71 -0.916 7.689 8.460 1.00 24.01 O ATOM 0 H GLU A 71 2.207 6.289 3.879 1.00 0.35 H new ATOM 0 HA GLU A 71 0.298 5.608 6.007 1.00 34.13 H new ATOM 0 HB2 GLU A 71 1.635 7.774 5.870 1.00 25.21 H new ATOM 0 HB3 GLU A 71 0.736 8.163 4.417 1.00 25.21 H new ATOM 0 HG2 GLU A 71 -0.565 9.283 5.904 1.00 2.01 H new ATOM 0 HG3 GLU A 71 -1.353 7.722 6.027 1.00 2.01 H new ATOM 1151 N VAL A 72 -1.645 5.136 4.523 1.00 3.34 N ATOM 1152 CA VAL A 72 -2.790 4.853 3.662 1.00 52.33 C ATOM 1153 C VAL A 72 -4.116 5.030 4.396 1.00 53.24 C ATOM 1154 O VAL A 72 -4.154 5.112 5.624 1.00 55.24 O ATOM 1155 CB VAL A 72 -2.738 3.421 3.083 1.00 41.34 C ATOM 1156 CG1 VAL A 72 -1.555 3.259 2.141 1.00 71.33 C ATOM 1157 CG2 VAL A 72 -2.682 2.386 4.198 1.00 44.12 C ATOM 0 H VAL A 72 -1.670 4.673 5.431 1.00 3.34 H new ATOM 0 HA VAL A 72 -2.730 5.575 2.847 1.00 52.33 H new ATOM 0 HB VAL A 72 -3.652 3.257 2.512 1.00 41.34 H new ATOM 0 HG11 VAL A 72 -1.540 2.243 1.747 1.00 71.33 H new ATOM 0 HG12 VAL A 72 -1.646 3.967 1.317 1.00 71.33 H new ATOM 0 HG13 VAL A 72 -0.629 3.451 2.683 1.00 71.33 H new ATOM 0 HG21 VAL A 72 -2.646 1.386 3.765 1.00 44.12 H new ATOM 0 HG22 VAL A 72 -1.791 2.551 4.804 1.00 44.12 H new ATOM 0 HG23 VAL A 72 -3.569 2.478 4.825 1.00 44.12 H new ATOM 1167 N GLU A 73 -5.193 5.092 3.626 1.00 13.24 N ATOM 1168 CA GLU A 73 -6.541 5.147 4.175 1.00 32.01 C ATOM 1169 C GLU A 73 -7.433 4.156 3.433 1.00 41.44 C ATOM 1170 O GLU A 73 -7.199 3.869 2.257 1.00 54.34 O ATOM 1171 CB GLU A 73 -7.121 6.562 4.063 1.00 63.03 C ATOM 1172 CG GLU A 73 -7.246 7.060 2.632 1.00 21.21 C ATOM 1173 CD GLU A 73 -8.089 8.314 2.526 1.00 24.43 C ATOM 1174 OE1 GLU A 73 -9.321 8.190 2.363 1.00 1.33 O ATOM 1175 OE2 GLU A 73 -7.530 9.427 2.604 1.00 74.25 O ATOM 0 H GLU A 73 -5.158 5.106 2.607 1.00 13.24 H new ATOM 0 HA GLU A 73 -6.499 4.881 5.231 1.00 32.01 H new ATOM 0 HB2 GLU A 73 -8.105 6.580 4.532 1.00 63.03 H new ATOM 0 HB3 GLU A 73 -6.488 7.250 4.624 1.00 63.03 H new ATOM 0 HG2 GLU A 73 -6.252 7.259 2.232 1.00 21.21 H new ATOM 0 HG3 GLU A 73 -7.687 6.277 2.015 1.00 21.21 H new ATOM 1183 N LEU A 74 -8.443 3.634 4.112 1.00 42.03 N ATOM 1184 CA LEU A 74 -9.333 2.643 3.517 1.00 1.35 C ATOM 1185 C LEU A 74 -10.445 3.307 2.718 1.00 24.15 C ATOM 1186 O LEU A 74 -11.081 4.250 3.187 1.00 70.44 O ATOM 1187 CB LEU A 74 -9.954 1.749 4.599 1.00 65.53 C ATOM 1188 CG LEU A 74 -9.156 0.495 4.980 1.00 64.43 C ATOM 1189 CD1 LEU A 74 -9.018 -0.431 3.782 1.00 13.42 C ATOM 1190 CD2 LEU A 74 -7.789 0.865 5.537 1.00 71.15 C ATOM 0 H LEU A 74 -8.669 3.879 5.076 1.00 42.03 H new ATOM 0 HA LEU A 74 -8.731 2.032 2.844 1.00 1.35 H new ATOM 0 HB2 LEU A 74 -10.100 2.349 5.497 1.00 65.53 H new ATOM 0 HB3 LEU A 74 -10.942 1.437 4.260 1.00 65.53 H new ATOM 0 HG LEU A 74 -9.703 -0.032 5.762 1.00 64.43 H new ATOM 0 HD11 LEU A 74 -8.449 -1.315 4.069 1.00 13.42 H new ATOM 0 HD12 LEU A 74 -10.008 -0.732 3.439 1.00 13.42 H new ATOM 0 HD13 LEU A 74 -8.498 0.089 2.978 1.00 13.42 H new ATOM 0 HD21 LEU A 74 -7.245 -0.043 5.799 1.00 71.15 H new ATOM 0 HD22 LEU A 74 -7.228 1.420 4.785 1.00 71.15 H new ATOM 0 HD23 LEU A 74 -7.914 1.483 6.426 1.00 71.15 H new ATOM 1202 N GLU A 75 -10.674 2.812 1.512 1.00 25.22 N ATOM 1203 CA GLU A 75 -11.803 3.251 0.707 1.00 33.44 C ATOM 1204 C GLU A 75 -13.073 2.563 1.184 1.00 54.33 C ATOM 1205 O GLU A 75 -13.014 1.481 1.773 1.00 54.00 O ATOM 1206 CB GLU A 75 -11.568 2.943 -0.774 1.00 71.13 C ATOM 1207 CG GLU A 75 -10.659 3.938 -1.474 1.00 13.44 C ATOM 1208 CD GLU A 75 -11.325 5.282 -1.682 1.00 31.20 C ATOM 1209 OE1 GLU A 75 -11.983 5.470 -2.724 1.00 34.14 O ATOM 1210 OE2 GLU A 75 -11.192 6.164 -0.811 1.00 23.41 O ATOM 0 H GLU A 75 -10.090 2.103 1.068 1.00 25.22 H new ATOM 0 HA GLU A 75 -11.910 4.330 0.820 1.00 33.44 H new ATOM 0 HB2 GLU A 75 -11.136 1.946 -0.863 1.00 71.13 H new ATOM 0 HB3 GLU A 75 -12.529 2.921 -1.287 1.00 71.13 H new ATOM 0 HG2 GLU A 75 -9.751 4.073 -0.886 1.00 13.44 H new ATOM 0 HG3 GLU A 75 -10.356 3.532 -2.439 1.00 13.44 H new ATOM 1218 N HIS A 76 -14.214 3.206 0.946 1.00 14.23 N ATOM 1219 CA HIS A 76 -15.520 2.658 1.313 1.00 34.44 C ATOM 1220 C HIS A 76 -15.665 2.580 2.839 1.00 54.23 C ATOM 1221 O HIS A 76 -16.449 1.795 3.370 1.00 75.14 O ATOM 1222 CB HIS A 76 -15.726 1.278 0.661 1.00 21.23 C ATOM 1223 CG HIS A 76 -17.103 0.707 0.834 1.00 2.30 C ATOM 1224 ND1 HIS A 76 -17.333 -0.524 1.402 1.00 42.21 N ATOM 1225 CD2 HIS A 76 -18.318 1.199 0.503 1.00 50.41 C ATOM 1226 CE1 HIS A 76 -18.629 -0.766 1.412 1.00 72.43 C ATOM 1227 NE2 HIS A 76 -19.254 0.264 0.871 1.00 14.02 N ATOM 0 H HIS A 76 -14.261 4.119 0.494 1.00 14.23 H new ATOM 0 HA HIS A 76 -16.296 3.326 0.939 1.00 34.44 H new ATOM 0 HB2 HIS A 76 -15.511 1.358 -0.405 1.00 21.23 H new ATOM 0 HB3 HIS A 76 -15.002 0.580 1.081 1.00 21.23 H new ATOM 0 HD2 HIS A 76 -18.516 2.152 0.035 1.00 50.41 H new ATOM 0 HE1 HIS A 76 -19.101 -1.658 1.798 1.00 72.43 H new ATOM 0 HE2 HIS A 76 -20.263 0.350 0.747 1.00 14.02 H new ATOM 1236 N HIS A 77 -14.908 3.407 3.546 1.00 2.03 N ATOM 1237 CA HIS A 77 -15.066 3.516 4.990 1.00 65.14 C ATOM 1238 C HIS A 77 -16.273 4.396 5.288 1.00 51.34 C ATOM 1239 O HIS A 77 -16.571 5.307 4.511 1.00 10.21 O ATOM 1240 CB HIS A 77 -13.801 4.079 5.661 1.00 31.31 C ATOM 1241 CG HIS A 77 -13.549 5.542 5.414 1.00 44.14 C ATOM 1242 ND1 HIS A 77 -12.955 6.178 4.380 1.00 74.41 N flip ATOM 1243 CD2 HIS A 77 -13.907 6.529 6.305 1.00 61.14 C flip ATOM 1244 CE1 HIS A 77 -12.960 7.523 4.659 1.00 11.24 C flip ATOM 1245 NE2 HIS A 77 -13.544 7.703 5.827 1.00 23.15 N flip ATOM 0 H HIS A 77 -14.185 4.007 3.149 1.00 2.03 H new ATOM 0 HA HIS A 77 -15.224 2.520 5.402 1.00 65.14 H new ATOM 0 HB2 HIS A 77 -13.874 3.915 6.736 1.00 31.31 H new ATOM 0 HB3 HIS A 77 -12.939 3.513 5.310 1.00 31.31 H new ATOM 0 HD1 HIS A 77 -12.572 5.738 3.543 1.00 74.41 H new ATOM 0 HD2 HIS A 77 -14.407 6.367 7.248 1.00 61.14 H new ATOM 0 HE1 HIS A 77 -12.554 8.301 4.029 1.00 11.24 H new ATOM 1254 N HIS A 78 -16.956 4.106 6.399 1.00 60.32 N ATOM 1255 CA HIS A 78 -18.188 4.803 6.782 1.00 12.14 C ATOM 1256 C HIS A 78 -19.356 4.337 5.905 1.00 61.54 C ATOM 1257 O HIS A 78 -19.181 4.052 4.719 1.00 71.31 O ATOM 1258 CB HIS A 78 -18.010 6.332 6.709 1.00 51.53 C ATOM 1259 CG HIS A 78 -19.246 7.109 7.039 1.00 72.44 C ATOM 1260 ND1 HIS A 78 -20.238 7.562 6.240 1.00 54.20 N flip ATOM 1261 CD2 HIS A 78 -19.579 7.500 8.317 1.00 44.33 C flip ATOM 1262 CE1 HIS A 78 -21.143 8.208 7.039 1.00 44.10 C flip ATOM 1263 NE2 HIS A 78 -20.724 8.156 8.288 1.00 32.54 N flip ATOM 0 H HIS A 78 -16.671 3.382 7.058 1.00 60.32 H new ATOM 0 HA HIS A 78 -18.416 4.553 7.818 1.00 12.14 H new ATOM 0 HB2 HIS A 78 -17.215 6.627 7.394 1.00 51.53 H new ATOM 0 HB3 HIS A 78 -17.682 6.601 5.705 1.00 51.53 H new ATOM 0 HD1 HIS A 78 -20.301 7.444 5.229 1.00 54.20 H new ATOM 0 HD2 HIS A 78 -18.995 7.301 9.203 1.00 44.33 H new ATOM 0 HE1 HIS A 78 -22.052 8.683 6.701 1.00 44.10 H new ATOM 1272 N HIS A 79 -20.540 4.238 6.503 1.00 32.12 N ATOM 1273 CA HIS A 79 -21.726 3.760 5.798 1.00 63.03 C ATOM 1274 C HIS A 79 -22.187 4.762 4.738 1.00 60.42 C ATOM 1275 O HIS A 79 -22.996 5.641 5.024 1.00 12.41 O ATOM 1276 CB HIS A 79 -22.859 3.491 6.793 1.00 4.14 C ATOM 1277 CG HIS A 79 -24.072 2.853 6.183 1.00 23.42 C ATOM 1278 ND1 HIS A 79 -25.260 3.525 5.987 1.00 71.10 N ATOM 1279 CD2 HIS A 79 -24.275 1.593 5.731 1.00 34.41 C ATOM 1280 CE1 HIS A 79 -26.141 2.706 5.442 1.00 55.43 C ATOM 1281 NE2 HIS A 79 -25.569 1.530 5.277 1.00 13.45 N ATOM 0 H HIS A 79 -20.704 4.484 7.479 1.00 32.12 H new ATOM 0 HA HIS A 79 -21.463 2.831 5.292 1.00 63.03 H new ATOM 0 HB2 HIS A 79 -22.484 2.847 7.588 1.00 4.14 H new ATOM 0 HB3 HIS A 79 -23.152 4.433 7.257 1.00 4.14 H new ATOM 0 HD2 HIS A 79 -23.554 0.789 5.728 1.00 34.41 H new ATOM 0 HE1 HIS A 79 -27.157 2.957 5.177 1.00 55.43 H new ATOM 0 HE2 HIS A 79 -26.016 0.705 4.876 1.00 13.45 H new ATOM 1290 N HIS A 80 -21.632 4.620 3.533 1.00 21.52 N ATOM 1291 CA HIS A 80 -21.988 5.421 2.350 1.00 11.53 C ATOM 1292 C HIS A 80 -21.643 6.909 2.514 1.00 73.41 C ATOM 1293 O HIS A 80 -21.790 7.491 3.587 1.00 62.54 O ATOM 1294 CB HIS A 80 -23.469 5.216 1.945 1.00 34.11 C ATOM 1295 CG HIS A 80 -24.436 6.291 2.371 1.00 60.32 C ATOM 1296 ND1 HIS A 80 -24.659 7.434 1.635 1.00 0.11 N ATOM 1297 CD2 HIS A 80 -25.261 6.373 3.441 1.00 41.02 C ATOM 1298 CE1 HIS A 80 -25.575 8.170 2.235 1.00 12.12 C ATOM 1299 NE2 HIS A 80 -25.958 7.549 3.332 1.00 12.30 N ATOM 0 H HIS A 80 -20.905 3.930 3.343 1.00 21.52 H new ATOM 0 HA HIS A 80 -21.370 5.052 1.531 1.00 11.53 H new ATOM 0 HB2 HIS A 80 -23.517 5.124 0.860 1.00 34.11 H new ATOM 0 HB3 HIS A 80 -23.808 4.267 2.360 1.00 34.11 H new ATOM 0 HD2 HIS A 80 -25.353 5.646 4.234 1.00 41.02 H new ATOM 0 HE1 HIS A 80 -25.948 9.121 1.886 1.00 12.12 H new ATOM 0 HE2 HIS A 80 -26.658 7.887 3.992 1.00 12.30 H new ATOM 1308 N HIS A 81 -21.181 7.515 1.432 1.00 12.43 N ATOM 1309 CA HIS A 81 -20.829 8.930 1.437 1.00 4.13 C ATOM 1310 C HIS A 81 -22.064 9.769 1.152 1.00 50.52 C ATOM 1311 O HIS A 81 -22.654 10.307 2.107 1.00 37.21 O ATOM 1312 CB HIS A 81 -19.744 9.232 0.397 1.00 11.21 C ATOM 1313 CG HIS A 81 -18.412 8.620 0.705 1.00 0.43 C ATOM 1314 ND1 HIS A 81 -17.332 9.353 1.147 1.00 74.53 N ATOM 1315 CD2 HIS A 81 -17.983 7.337 0.619 1.00 5.31 C ATOM 1316 CE1 HIS A 81 -16.300 8.550 1.321 1.00 12.54 C ATOM 1317 NE2 HIS A 81 -16.666 7.321 1.007 1.00 41.33 N ATOM 1318 OXT HIS A 81 -22.456 9.860 -0.029 1.00 37.21 O ATOM 0 H HIS A 81 -21.040 7.049 0.536 1.00 12.43 H new ATOM 0 HA HIS A 81 -20.437 9.181 2.422 1.00 4.13 H new ATOM 0 HB2 HIS A 81 -20.080 8.874 -0.576 1.00 11.21 H new ATOM 0 HB3 HIS A 81 -19.625 10.312 0.316 1.00 11.21 H new ATOM 0 HD2 HIS A 81 -18.568 6.486 0.304 1.00 5.31 H new ATOM 0 HE1 HIS A 81 -15.320 8.848 1.663 1.00 12.54 H new ATOM 0 HE2 HIS A 81 -16.069 6.495 1.046 1.00 41.33 H new TER 1327 HIS A 81