USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 562 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 15 LYS NZ :NH3+ 168:sc= 0.0299 (180deg=0) USER MOD Set 1.2: A 16 ASN : amide:sc= -0.0825 K(o=-0.053,f=-0.74) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.957) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.5!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0882 K(o=-0.088,f=-1.7!) USER MOD Single : A 34 MET CE :methyl -174:sc= 0 (180deg=-0.0348) USER MOD Single : A 36 GLN : amide:sc=-0.000326 K(o=-0.00033,f=-0.62) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.21) USER MOD Single : A 40 THR OG1 : rot -9:sc= 0.61 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00742 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 91:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.541 5.246 3.682 1.00 0.00 N ATOM 41 CA ALA A 3 10.780 4.073 4.074 1.00 0.00 C ATOM 42 C ALA A 3 10.893 3.814 5.567 1.00 0.00 C ATOM 43 O ALA A 3 10.397 2.782 6.003 1.00 0.00 O ATOM 44 CB ALA A 3 11.181 2.823 3.313 1.00 0.00 C ATOM 0 HA ALA A 3 9.744 4.297 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.576 1.981 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.021 2.979 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.234 2.609 3.494 1.00 0.00 H new ATOM 50 N SER A 4 11.604 4.630 6.337 1.00 0.00 N ATOM 51 CA SER A 4 11.704 4.530 7.786 1.00 0.00 C ATOM 52 C SER A 4 10.371 4.176 8.455 1.00 0.00 C ATOM 53 O SER A 4 10.377 3.455 9.441 1.00 0.00 O ATOM 54 CB SER A 4 12.235 5.871 8.296 1.00 0.00 C ATOM 55 OG SER A 4 13.451 6.187 7.628 1.00 0.00 O ATOM 0 H SER A 4 12.145 5.406 5.955 1.00 0.00 H new ATOM 0 HA SER A 4 12.379 3.714 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.498 6.655 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.401 5.822 9.372 1.00 0.00 H new ATOM 0 HG SER A 4 13.789 7.047 7.954 1.00 0.00 H new ATOM 61 N GLU A 5 9.239 4.605 7.889 1.00 0.00 N ATOM 62 CA GLU A 5 7.916 4.296 8.424 1.00 0.00 C ATOM 63 C GLU A 5 7.397 2.906 8.070 1.00 0.00 C ATOM 64 O GLU A 5 6.583 2.343 8.802 1.00 0.00 O ATOM 65 CB GLU A 5 6.905 5.359 7.977 1.00 0.00 C ATOM 66 CG GLU A 5 6.868 5.541 6.449 1.00 0.00 C ATOM 67 CD GLU A 5 5.775 6.527 5.999 1.00 0.00 C ATOM 68 OE1 GLU A 5 5.648 7.605 6.627 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.225 6.367 4.890 1.00 0.00 O ATOM 0 H GLU A 5 9.218 5.177 7.045 1.00 0.00 H new ATOM 0 HA GLU A 5 8.030 4.304 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.912 5.080 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.154 6.311 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.839 5.898 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.698 4.574 5.975 1.00 0.00 H new ATOM 76 N LEU A 6 7.830 2.363 6.936 1.00 0.00 N ATOM 77 CA LEU A 6 7.313 1.144 6.346 1.00 0.00 C ATOM 78 C LEU A 6 8.235 -0.004 6.616 1.00 0.00 C ATOM 79 O LEU A 6 7.753 -1.075 6.934 1.00 0.00 O ATOM 80 CB LEU A 6 7.204 1.324 4.816 1.00 0.00 C ATOM 81 CG LEU A 6 5.784 1.473 4.247 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.768 0.550 4.938 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.317 2.934 4.216 1.00 0.00 C ATOM 0 H LEU A 6 8.580 2.781 6.386 1.00 0.00 H new ATOM 0 HA LEU A 6 6.336 0.938 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.780 2.205 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.677 0.467 4.336 1.00 0.00 H new ATOM 0 HG LEU A 6 5.838 1.143 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.783 0.698 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.072 -0.488 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.727 0.785 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.308 2.985 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.318 3.338 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.993 3.519 3.592 1.00 0.00 H new ATOM 95 N ARG A 7 9.547 0.182 6.486 1.00 0.00 N ATOM 96 CA ARG A 7 10.532 -0.845 6.765 1.00 0.00 C ATOM 97 C ARG A 7 10.532 -1.201 8.252 1.00 0.00 C ATOM 98 O ARG A 7 11.165 -2.170 8.641 1.00 0.00 O ATOM 99 CB ARG A 7 11.910 -0.340 6.308 1.00 0.00 C ATOM 100 CG ARG A 7 12.907 -1.503 6.252 1.00 0.00 C ATOM 101 CD ARG A 7 13.844 -1.585 7.465 1.00 0.00 C ATOM 102 NE ARG A 7 14.072 -2.980 7.890 1.00 0.00 N ATOM 103 CZ ARG A 7 15.178 -3.462 8.469 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.228 -2.676 8.671 1.00 0.00 N ATOM 105 NH2 ARG A 7 15.267 -4.735 8.820 1.00 0.00 N ATOM 0 H ARG A 7 9.955 1.065 6.179 1.00 0.00 H new ATOM 0 HA ARG A 7 10.286 -1.755 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.828 0.126 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.271 0.426 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.353 -2.438 6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.508 -1.409 5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.798 -1.120 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.417 -1.018 8.293 1.00 0.00 H new ATOM 0 HE ARG A 7 13.313 -3.641 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.195 -1.698 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.068 -3.050 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.484 -5.367 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.118 -5.084 9.260 1.00 0.00 H new ATOM 119 N ASN A 8 9.850 -0.401 9.060 1.00 0.00 N ATOM 120 CA ASN A 8 9.778 -0.549 10.495 1.00 0.00 C ATOM 121 C ASN A 8 8.870 -1.689 10.935 1.00 0.00 C ATOM 122 O ASN A 8 8.889 -1.974 12.133 1.00 0.00 O ATOM 123 CB ASN A 8 9.292 0.771 11.122 1.00 0.00 C ATOM 124 CG ASN A 8 10.293 1.300 12.134 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.360 1.768 11.738 1.00 0.00 O ATOM 126 ND2 ASN A 8 9.978 1.225 13.411 1.00 0.00 N ATOM 0 H ASN A 8 9.315 0.396 8.715 1.00 0.00 H new ATOM 0 HA ASN A 8 10.782 -0.794 10.841 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.136 1.513 10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.329 0.613 11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.631 1.563 14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.081 0.829 13.693 1.00 0.00 H new ATOM 133 N TYR A 9 8.081 -2.314 10.031 1.00 0.00 N ATOM 134 CA TYR A 9 7.316 -3.479 10.382 1.00 0.00 C ATOM 135 C TYR A 9 8.256 -4.689 10.219 1.00 0.00 C ATOM 136 O TYR A 9 9.373 -4.550 9.718 1.00 0.00 O ATOM 137 CB TYR A 9 6.004 -3.424 9.583 1.00 0.00 C ATOM 138 CG TYR A 9 5.069 -2.352 10.102 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.156 -1.050 9.591 1.00 0.00 C ATOM 140 CD2 TYR A 9 4.086 -2.633 11.065 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.275 -0.059 10.034 1.00 0.00 C ATOM 142 CE2 TYR A 9 3.178 -1.656 11.497 1.00 0.00 C ATOM 143 CZ TYR A 9 3.295 -0.350 10.998 1.00 0.00 C ATOM 144 OH TYR A 9 2.426 0.609 11.402 1.00 0.00 O ATOM 0 H TYR A 9 7.974 -2.014 9.062 1.00 0.00 H new ATOM 0 HA TYR A 9 6.973 -3.551 11.414 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.227 -3.234 8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.508 -4.393 9.633 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.907 -0.811 8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.028 -3.627 11.483 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.348 0.940 9.631 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.400 -1.905 12.203 1.00 0.00 H new ATOM 0 HH TYR A 9 1.816 0.236 12.072 1.00 0.00 H new ATOM 154 N THR A 10 7.887 -5.871 10.682 1.00 0.00 N ATOM 155 CA THR A 10 8.711 -7.079 10.594 1.00 0.00 C ATOM 156 C THR A 10 8.262 -7.836 9.357 1.00 0.00 C ATOM 157 O THR A 10 7.140 -7.607 8.974 1.00 0.00 O ATOM 158 CB THR A 10 8.509 -7.904 11.870 1.00 0.00 C ATOM 159 OG1 THR A 10 7.198 -8.431 12.029 1.00 0.00 O ATOM 160 CG2 THR A 10 8.799 -7.064 13.107 1.00 0.00 C ATOM 0 H THR A 10 6.989 -6.028 11.140 1.00 0.00 H new ATOM 0 HA THR A 10 9.774 -6.851 10.511 1.00 0.00 H new ATOM 0 HB THR A 10 9.204 -8.737 11.764 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.151 -8.944 12.863 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.649 -7.669 14.001 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.830 -6.713 13.075 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.125 -6.208 13.132 1.00 0.00 H new ATOM 168 N ASP A 11 9.036 -8.695 8.700 1.00 0.00 N ATOM 169 CA ASP A 11 8.741 -9.481 7.493 1.00 0.00 C ATOM 170 C ASP A 11 7.285 -9.902 7.429 1.00 0.00 C ATOM 171 O ASP A 11 6.630 -9.802 6.391 1.00 0.00 O ATOM 172 CB ASP A 11 9.634 -10.737 7.475 1.00 0.00 C ATOM 173 CG ASP A 11 11.104 -10.401 7.278 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.632 -9.518 7.996 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.725 -10.895 6.309 1.00 0.00 O ATOM 0 H ASP A 11 9.983 -8.881 9.029 1.00 0.00 H new ATOM 0 HA ASP A 11 8.944 -8.851 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.511 -11.280 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.306 -11.401 6.676 1.00 0.00 H new ATOM 180 N GLU A 12 6.790 -10.365 8.569 1.00 0.00 N ATOM 181 CA GLU A 12 5.435 -10.810 8.726 1.00 0.00 C ATOM 182 C GLU A 12 4.417 -9.668 8.812 1.00 0.00 C ATOM 183 O GLU A 12 3.395 -9.695 8.131 1.00 0.00 O ATOM 184 CB GLU A 12 5.388 -11.696 9.968 1.00 0.00 C ATOM 185 CG GLU A 12 5.972 -13.068 9.595 1.00 0.00 C ATOM 186 CD GLU A 12 5.598 -14.138 10.611 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.384 -14.289 10.893 1.00 0.00 O ATOM 188 OE2 GLU A 12 6.529 -14.825 11.084 1.00 0.00 O ATOM 0 H GLU A 12 7.342 -10.438 9.423 1.00 0.00 H new ATOM 0 HA GLU A 12 5.143 -11.366 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.960 -11.246 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.363 -11.802 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.610 -13.361 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.057 -12.995 9.528 1.00 0.00 H new ATOM 195 N GLU A 13 4.668 -8.658 9.634 1.00 0.00 N ATOM 196 CA GLU A 13 3.856 -7.453 9.669 1.00 0.00 C ATOM 197 C GLU A 13 3.936 -6.667 8.358 1.00 0.00 C ATOM 198 O GLU A 13 2.949 -6.048 7.999 1.00 0.00 O ATOM 199 CB GLU A 13 4.323 -6.545 10.800 1.00 0.00 C ATOM 200 CG GLU A 13 3.785 -6.966 12.167 1.00 0.00 C ATOM 201 CD GLU A 13 3.736 -5.741 13.071 1.00 0.00 C ATOM 202 OE1 GLU A 13 4.803 -5.135 13.309 1.00 0.00 O ATOM 203 OE2 GLU A 13 2.625 -5.341 13.489 1.00 0.00 O ATOM 0 H GLU A 13 5.443 -8.653 10.297 1.00 0.00 H new ATOM 0 HA GLU A 13 2.824 -7.768 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.413 -6.543 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.008 -5.523 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.790 -7.400 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.424 -7.733 12.605 1.00 0.00 H new ATOM 210 N LEU A 14 5.065 -6.694 7.647 1.00 0.00 N ATOM 211 CA LEU A 14 5.338 -6.037 6.391 1.00 0.00 C ATOM 212 C LEU A 14 4.261 -6.586 5.482 1.00 0.00 C ATOM 213 O LEU A 14 3.361 -5.842 5.126 1.00 0.00 O ATOM 214 CB LEU A 14 6.767 -6.344 5.848 1.00 0.00 C ATOM 215 CG LEU A 14 7.986 -5.399 6.038 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.698 -3.972 6.475 1.00 0.00 C ATOM 217 CD2 LEU A 14 9.147 -5.888 6.884 1.00 0.00 C ATOM 0 H LEU A 14 5.873 -7.224 7.973 1.00 0.00 H new ATOM 0 HA LEU A 14 5.322 -4.950 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.056 -7.304 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.660 -6.492 4.773 1.00 0.00 H new ATOM 0 HG LEU A 14 8.289 -5.411 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.636 -3.424 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.066 -3.485 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.186 -3.982 7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.919 -5.119 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.797 -6.101 7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.561 -6.795 6.444 1.00 0.00 H new ATOM 229 N LYS A 15 4.241 -7.879 5.160 1.00 0.00 N ATOM 230 CA LYS A 15 3.198 -8.378 4.280 1.00 0.00 C ATOM 231 C LYS A 15 1.831 -8.057 4.840 1.00 0.00 C ATOM 232 O LYS A 15 0.998 -7.615 4.068 1.00 0.00 O ATOM 233 CB LYS A 15 3.370 -9.857 3.925 1.00 0.00 C ATOM 234 CG LYS A 15 3.645 -10.849 5.059 1.00 0.00 C ATOM 235 CD LYS A 15 2.481 -11.831 5.334 1.00 0.00 C ATOM 236 CE LYS A 15 1.181 -11.175 5.821 1.00 0.00 C ATOM 237 NZ LYS A 15 0.025 -12.093 5.815 1.00 0.00 N ATOM 0 H LYS A 15 4.912 -8.575 5.484 1.00 0.00 H new ATOM 0 HA LYS A 15 3.293 -7.854 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.466 -10.183 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.189 -9.934 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.540 -11.422 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.860 -10.292 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.270 -12.386 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.806 -12.557 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.330 -10.796 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.957 -10.316 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.764 -11.661 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.268 -12.275 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.292 -12.990 6.269 1.00 0.00 H new ATOM 251 N ASN A 16 1.602 -8.203 6.144 1.00 0.00 N ATOM 252 CA ASN A 16 0.265 -8.014 6.694 1.00 0.00 C ATOM 253 C ASN A 16 -0.232 -6.558 6.654 1.00 0.00 C ATOM 254 O ASN A 16 -1.397 -6.287 6.940 1.00 0.00 O ATOM 255 CB ASN A 16 0.215 -8.568 8.123 1.00 0.00 C ATOM 256 CG ASN A 16 -1.143 -9.178 8.407 1.00 0.00 C ATOM 257 OD1 ASN A 16 -1.654 -9.940 7.586 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.727 -8.918 9.564 1.00 0.00 N ATOM 0 H ASN A 16 2.316 -8.448 6.830 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.418 -8.568 6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.993 -9.320 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.418 -7.769 8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.621 -9.352 9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.284 -8.283 10.228 1.00 0.00 H new ATOM 265 N LEU A 17 0.644 -5.634 6.282 1.00 0.00 N ATOM 266 CA LEU A 17 0.404 -4.204 6.094 1.00 0.00 C ATOM 267 C LEU A 17 0.351 -3.939 4.595 1.00 0.00 C ATOM 268 O LEU A 17 -0.494 -3.200 4.097 1.00 0.00 O ATOM 269 CB LEU A 17 1.571 -3.401 6.712 1.00 0.00 C ATOM 270 CG LEU A 17 1.472 -2.961 8.189 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.984 -1.512 8.246 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.596 -3.849 9.083 1.00 0.00 C ATOM 0 H LEU A 17 1.615 -5.880 6.089 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.528 -3.904 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.476 -3.999 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.710 -2.504 6.109 1.00 0.00 H new ATOM 0 HG LEU A 17 2.477 -3.063 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.911 -1.193 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.689 -0.870 7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.004 -1.439 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.594 -3.453 10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.423 -3.862 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.994 -4.864 9.090 1.00 0.00 H new ATOM 284 N LEU A 18 1.276 -4.528 3.838 1.00 0.00 N ATOM 285 CA LEU A 18 1.477 -4.147 2.446 1.00 0.00 C ATOM 286 C LEU A 18 0.489 -4.875 1.564 1.00 0.00 C ATOM 287 O LEU A 18 0.168 -4.407 0.462 1.00 0.00 O ATOM 288 CB LEU A 18 2.917 -4.396 1.958 1.00 0.00 C ATOM 289 CG LEU A 18 4.115 -4.035 2.875 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.379 -3.698 2.092 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.860 -3.026 4.014 1.00 0.00 C ATOM 0 H LEU A 18 1.895 -5.269 4.167 1.00 0.00 H new ATOM 0 HA LEU A 18 1.307 -3.072 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.000 -5.456 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.044 -3.846 1.026 1.00 0.00 H new ATOM 0 HG LEU A 18 4.273 -4.972 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.183 -3.454 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.671 -4.556 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.188 -2.843 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.782 -2.868 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.524 -2.079 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.093 -3.418 4.682 1.00 0.00 H new ATOM 303 N GLU A 19 0.032 -6.034 2.032 1.00 0.00 N ATOM 304 CA GLU A 19 -1.158 -6.690 1.540 1.00 0.00 C ATOM 305 C GLU A 19 -2.373 -5.781 1.754 1.00 0.00 C ATOM 306 O GLU A 19 -3.157 -5.642 0.815 1.00 0.00 O ATOM 307 CB GLU A 19 -1.276 -8.093 2.163 1.00 0.00 C ATOM 308 CG GLU A 19 -1.996 -8.221 3.512 1.00 0.00 C ATOM 309 CD GLU A 19 -3.447 -8.710 3.303 1.00 0.00 C ATOM 310 OE1 GLU A 19 -3.600 -9.877 2.850 1.00 0.00 O ATOM 311 OE2 GLU A 19 -4.405 -7.936 3.466 1.00 0.00 O ATOM 0 H GLU A 19 0.496 -6.548 2.781 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.102 -6.855 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.790 -8.735 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.269 -8.492 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.459 -8.920 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.000 -7.258 4.022 1.00 0.00 H new ATOM 318 N GLU A 20 -2.478 -5.108 2.908 1.00 0.00 N ATOM 319 CA GLU A 20 -3.648 -4.324 3.300 1.00 0.00 C ATOM 320 C GLU A 20 -3.770 -3.079 2.436 1.00 0.00 C ATOM 321 O GLU A 20 -4.836 -2.774 1.908 1.00 0.00 O ATOM 322 CB GLU A 20 -3.607 -3.954 4.793 1.00 0.00 C ATOM 323 CG GLU A 20 -4.862 -3.201 5.286 1.00 0.00 C ATOM 324 CD GLU A 20 -4.521 -2.264 6.448 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.010 -2.743 7.490 1.00 0.00 O ATOM 326 OE2 GLU A 20 -4.702 -1.030 6.313 1.00 0.00 O ATOM 0 H GLU A 20 -1.735 -5.096 3.606 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.531 -4.943 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.488 -4.865 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.728 -3.337 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.291 -2.626 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.619 -3.918 5.603 1.00 0.00 H new ATOM 333 N LYS A 21 -2.674 -2.361 2.226 1.00 0.00 N ATOM 334 CA LYS A 21 -2.673 -1.228 1.338 1.00 0.00 C ATOM 335 C LYS A 21 -3.028 -1.754 -0.062 1.00 0.00 C ATOM 336 O LYS A 21 -4.023 -1.304 -0.628 1.00 0.00 O ATOM 337 CB LYS A 21 -1.343 -0.479 1.530 1.00 0.00 C ATOM 338 CG LYS A 21 -1.151 0.062 2.966 1.00 0.00 C ATOM 339 CD LYS A 21 -2.027 1.252 3.386 1.00 0.00 C ATOM 340 CE LYS A 21 -1.396 2.559 2.896 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.823 3.726 3.687 1.00 0.00 N ATOM 0 H LYS A 21 -1.774 -2.553 2.666 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.425 -0.465 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.518 -1.149 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.296 0.352 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.334 -0.756 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.107 0.353 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.029 1.143 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.133 1.273 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.310 2.473 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.661 2.717 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.171 4.518 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.785 4.003 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.815 3.482 4.698 1.00 0.00 H new ATOM 355 N LYS A 22 -2.282 -2.703 -0.660 1.00 0.00 N ATOM 356 CA LYS A 22 -2.559 -3.186 -2.021 1.00 0.00 C ATOM 357 C LYS A 22 -4.033 -3.566 -2.210 1.00 0.00 C ATOM 358 O LYS A 22 -4.610 -3.173 -3.227 1.00 0.00 O ATOM 359 CB LYS A 22 -1.596 -4.328 -2.400 1.00 0.00 C ATOM 360 CG LYS A 22 -1.691 -4.714 -3.890 1.00 0.00 C ATOM 361 CD LYS A 22 -2.598 -5.927 -4.143 1.00 0.00 C ATOM 362 CE LYS A 22 -1.835 -7.227 -3.868 1.00 0.00 C ATOM 363 NZ LYS A 22 -2.730 -8.349 -3.530 1.00 0.00 N ATOM 0 H LYS A 22 -1.480 -3.150 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.375 -2.364 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.574 -4.027 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.816 -5.202 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.068 -3.862 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.692 -4.931 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.478 -5.871 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.952 -5.916 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.244 -7.490 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.134 -7.066 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.164 -9.203 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.276 -8.113 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.382 -8.523 -4.321 1.00 0.00 H new ATOM 377 N ARG A 23 -4.644 -4.306 -1.277 1.00 0.00 N ATOM 378 CA ARG A 23 -6.070 -4.619 -1.376 1.00 0.00 C ATOM 379 C ARG A 23 -6.927 -3.382 -1.221 1.00 0.00 C ATOM 380 O ARG A 23 -7.851 -3.252 -2.004 1.00 0.00 O ATOM 381 CB ARG A 23 -6.542 -5.667 -0.371 1.00 0.00 C ATOM 382 CG ARG A 23 -6.420 -5.219 1.081 1.00 0.00 C ATOM 383 CD ARG A 23 -6.577 -6.366 2.049 1.00 0.00 C ATOM 384 NE ARG A 23 -7.905 -6.955 1.978 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.306 -7.958 2.747 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.459 -8.567 3.582 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.576 -8.308 2.623 1.00 0.00 N ATOM 0 H ARG A 23 -4.179 -4.694 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.189 -5.036 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.583 -5.915 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.962 -6.579 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.449 -4.748 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.177 -4.463 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.829 -7.129 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.389 -6.014 3.063 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.565 -6.575 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.487 -8.262 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.784 -9.337 4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.179 -7.814 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.952 -9.072 3.185 1.00 0.00 H new ATOM 401 N GLN A 24 -6.660 -2.503 -0.253 1.00 0.00 N ATOM 402 CA GLN A 24 -7.471 -1.334 0.034 1.00 0.00 C ATOM 403 C GLN A 24 -7.737 -0.598 -1.262 1.00 0.00 C ATOM 404 O GLN A 24 -8.879 -0.333 -1.578 1.00 0.00 O ATOM 405 CB GLN A 24 -6.771 -0.372 1.002 1.00 0.00 C ATOM 406 CG GLN A 24 -7.205 -0.430 2.473 1.00 0.00 C ATOM 407 CD GLN A 24 -7.444 0.939 3.128 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.122 1.996 2.592 1.00 0.00 O ATOM 409 NE2 GLN A 24 -8.047 0.950 4.305 1.00 0.00 N ATOM 0 H GLN A 24 -5.853 -2.593 0.364 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.396 -1.673 0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.699 -0.565 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.927 0.645 0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.121 -1.016 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.442 -0.961 3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.314 0.072 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.245 1.837 4.768 1.00 0.00 H new ATOM 418 N LEU A 25 -6.708 -0.320 -2.061 1.00 0.00 N ATOM 419 CA LEU A 25 -6.889 0.299 -3.367 1.00 0.00 C ATOM 420 C LEU A 25 -7.938 -0.444 -4.191 1.00 0.00 C ATOM 421 O LEU A 25 -8.872 0.179 -4.684 1.00 0.00 O ATOM 422 CB LEU A 25 -5.523 0.312 -4.049 1.00 0.00 C ATOM 423 CG LEU A 25 -5.407 0.827 -5.495 1.00 0.00 C ATOM 424 CD1 LEU A 25 -6.016 -0.065 -6.586 1.00 0.00 C ATOM 425 CD2 LEU A 25 -5.984 2.236 -5.599 1.00 0.00 C ATOM 0 H LEU A 25 -5.736 -0.516 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.263 1.318 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.855 0.914 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.139 -0.708 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.336 0.817 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.872 0.402 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.527 -1.039 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.082 -0.193 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.897 2.590 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.034 2.221 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.434 2.904 -4.937 1.00 0.00 H new ATOM 437 N MET A 26 -7.770 -1.754 -4.348 1.00 0.00 N ATOM 438 CA MET A 26 -8.697 -2.660 -5.021 1.00 0.00 C ATOM 439 C MET A 26 -10.118 -2.675 -4.425 1.00 0.00 C ATOM 440 O MET A 26 -11.075 -2.855 -5.178 1.00 0.00 O ATOM 441 CB MET A 26 -8.022 -4.041 -5.080 1.00 0.00 C ATOM 442 CG MET A 26 -8.931 -5.255 -4.919 1.00 0.00 C ATOM 443 SD MET A 26 -8.048 -6.813 -5.173 1.00 0.00 S ATOM 444 CE MET A 26 -8.837 -7.773 -3.860 1.00 0.00 C ATOM 0 H MET A 26 -6.944 -2.236 -3.993 1.00 0.00 H new ATOM 0 HA MET A 26 -8.886 -2.301 -6.033 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.506 -4.127 -6.036 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.260 -4.081 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.370 -5.247 -3.921 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.754 -5.186 -5.630 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.425 -8.782 -3.849 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.652 -7.295 -2.898 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.911 -7.822 -4.040 1.00 0.00 H new ATOM 454 N GLU A 27 -10.278 -2.473 -3.125 1.00 0.00 N ATOM 455 CA GLU A 27 -11.560 -2.614 -2.418 1.00 0.00 C ATOM 456 C GLU A 27 -12.285 -1.286 -2.353 1.00 0.00 C ATOM 457 O GLU A 27 -13.476 -1.181 -2.610 1.00 0.00 O ATOM 458 CB GLU A 27 -11.309 -3.173 -1.003 1.00 0.00 C ATOM 459 CG GLU A 27 -10.794 -4.616 -1.103 1.00 0.00 C ATOM 460 CD GLU A 27 -10.652 -5.420 0.211 1.00 0.00 C ATOM 461 OE1 GLU A 27 -11.132 -4.968 1.280 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.037 -6.512 0.184 1.00 0.00 O ATOM 0 H GLU A 27 -9.509 -2.201 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.194 -3.311 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.582 -2.552 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.230 -3.144 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.465 -5.167 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.818 -4.591 -1.589 1.00 0.00 H new ATOM 469 N LEU A 28 -11.545 -0.229 -2.108 1.00 0.00 N ATOM 470 CA LEU A 28 -12.011 1.124 -2.201 1.00 0.00 C ATOM 471 C LEU A 28 -12.495 1.400 -3.623 1.00 0.00 C ATOM 472 O LEU A 28 -13.610 1.883 -3.805 1.00 0.00 O ATOM 473 CB LEU A 28 -10.889 2.047 -1.739 1.00 0.00 C ATOM 474 CG LEU A 28 -10.506 1.960 -0.247 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.299 2.875 -0.045 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.616 2.301 0.739 1.00 0.00 C ATOM 0 H LEU A 28 -10.566 -0.297 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.868 1.305 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.001 1.831 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.178 3.075 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.284 0.916 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.991 2.846 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.476 2.537 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.567 3.896 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.239 2.208 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.952 3.324 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.452 1.616 0.597 1.00 0.00 H new ATOM 488 N ARG A 29 -11.736 1.029 -4.659 1.00 0.00 N ATOM 489 CA ARG A 29 -12.183 1.249 -6.048 1.00 0.00 C ATOM 490 C ARG A 29 -13.482 0.505 -6.365 1.00 0.00 C ATOM 491 O ARG A 29 -14.188 0.878 -7.305 1.00 0.00 O ATOM 492 CB ARG A 29 -11.102 0.941 -7.097 1.00 0.00 C ATOM 493 CG ARG A 29 -10.775 -0.545 -7.221 1.00 0.00 C ATOM 494 CD ARG A 29 -9.914 -0.911 -8.438 1.00 0.00 C ATOM 495 NE ARG A 29 -10.622 -0.709 -9.715 1.00 0.00 N ATOM 496 CZ ARG A 29 -11.769 -1.290 -10.092 1.00 0.00 C ATOM 497 NH1 ARG A 29 -12.287 -2.326 -9.443 1.00 0.00 N ATOM 498 NH2 ARG A 29 -12.423 -0.830 -11.146 1.00 0.00 N ATOM 0 H ARG A 29 -10.823 0.582 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.384 2.318 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.432 1.314 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.193 1.484 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.258 -0.866 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.708 -1.106 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.006 -0.308 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.605 -1.953 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.196 -0.062 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.809 -2.707 -8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.163 -2.741 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.054 -0.036 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.296 -1.270 -11.436 1.00 0.00 H new ATOM 512 N PHE A 30 -13.778 -0.547 -5.605 1.00 0.00 N ATOM 513 CA PHE A 30 -15.021 -1.284 -5.668 1.00 0.00 C ATOM 514 C PHE A 30 -16.135 -0.510 -4.942 1.00 0.00 C ATOM 515 O PHE A 30 -17.273 -0.571 -5.403 1.00 0.00 O ATOM 516 CB PHE A 30 -14.739 -2.699 -5.122 1.00 0.00 C ATOM 517 CG PHE A 30 -15.891 -3.663 -4.963 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.925 -3.408 -4.041 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.847 -4.897 -5.634 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.932 -4.360 -3.829 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.838 -5.859 -5.395 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.880 -5.595 -4.493 1.00 0.00 C ATOM 0 H PHE A 30 -13.132 -0.916 -4.907 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.394 -1.396 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.007 -3.166 -5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.265 -2.588 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.942 -2.476 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.050 -5.104 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.747 -4.143 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.799 -6.809 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.640 -6.340 -4.310 1.00 0.00 H new ATOM 532 N GLN A 31 -15.868 0.273 -3.881 1.00 0.00 N ATOM 533 CA GLN A 31 -16.886 1.044 -3.207 1.00 0.00 C ATOM 534 C GLN A 31 -17.211 2.233 -4.101 1.00 0.00 C ATOM 535 O GLN A 31 -18.365 2.623 -4.179 1.00 0.00 O ATOM 536 CB GLN A 31 -16.404 1.494 -1.819 1.00 0.00 C ATOM 537 CG GLN A 31 -15.984 0.319 -0.910 1.00 0.00 C ATOM 538 CD GLN A 31 -16.052 0.649 0.577 1.00 0.00 C ATOM 539 OE1 GLN A 31 -16.831 1.508 0.989 1.00 0.00 O ATOM 540 NE2 GLN A 31 -15.302 -0.046 1.413 1.00 0.00 N ATOM 0 H GLN A 31 -14.936 0.378 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.781 0.444 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.560 2.173 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.199 2.057 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.627 -0.537 -1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.967 0.020 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.661 -0.754 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.363 0.126 2.417 1.00 0.00 H new ATOM 549 N LEU A 32 -16.231 2.772 -4.831 1.00 0.00 N ATOM 550 CA LEU A 32 -16.436 3.793 -5.850 1.00 0.00 C ATOM 551 C LEU A 32 -17.398 3.314 -6.913 1.00 0.00 C ATOM 552 O LEU A 32 -18.377 3.988 -7.188 1.00 0.00 O ATOM 553 CB LEU A 32 -15.091 4.141 -6.488 1.00 0.00 C ATOM 554 CG LEU A 32 -15.109 5.309 -7.478 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.855 5.118 -8.797 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.563 6.609 -6.801 1.00 0.00 C ATOM 0 H LEU A 32 -15.253 2.502 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.866 4.677 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.382 4.373 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.715 3.257 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.064 5.364 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.780 6.028 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.414 4.287 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.904 4.903 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.565 7.418 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.569 6.479 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.879 6.855 -5.989 1.00 0.00 H new ATOM 568 N ALA A 33 -17.100 2.166 -7.514 1.00 0.00 N ATOM 569 CA ALA A 33 -17.919 1.555 -8.544 1.00 0.00 C ATOM 570 C ALA A 33 -19.344 1.329 -8.032 1.00 0.00 C ATOM 571 O ALA A 33 -20.298 1.478 -8.794 1.00 0.00 O ATOM 572 CB ALA A 33 -17.263 0.245 -8.985 1.00 0.00 C ATOM 0 H ALA A 33 -16.264 1.627 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.990 2.219 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.870 -0.223 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.268 0.451 -9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.183 -0.427 -8.131 1.00 0.00 H new ATOM 578 N MET A 34 -19.493 0.980 -6.753 1.00 0.00 N ATOM 579 CA MET A 34 -20.773 0.825 -6.091 1.00 0.00 C ATOM 580 C MET A 34 -21.435 2.177 -5.764 1.00 0.00 C ATOM 581 O MET A 34 -22.616 2.230 -5.426 1.00 0.00 O ATOM 582 CB MET A 34 -20.548 -0.018 -4.831 1.00 0.00 C ATOM 583 CG MET A 34 -20.380 -1.510 -5.140 1.00 0.00 C ATOM 584 SD MET A 34 -21.924 -2.449 -4.970 1.00 0.00 S ATOM 585 CE MET A 34 -21.386 -4.079 -5.549 1.00 0.00 C ATOM 0 H MET A 34 -18.700 0.794 -6.139 1.00 0.00 H new ATOM 0 HA MET A 34 -21.469 0.321 -6.761 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.661 0.343 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.391 0.116 -4.154 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.002 -1.624 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.630 -1.931 -4.471 1.00 0.00 H new ATOM 0 HE1 MET A 34 -22.246 -4.746 -5.608 1.00 0.00 H new ATOM 0 HE2 MET A 34 -20.933 -3.983 -6.536 1.00 0.00 H new ATOM 0 HE3 MET A 34 -20.655 -4.490 -4.852 1.00 0.00 H new ATOM 595 N GLY A 35 -20.693 3.275 -5.876 1.00 0.00 N ATOM 596 CA GLY A 35 -21.129 4.653 -5.801 1.00 0.00 C ATOM 597 C GLY A 35 -21.023 5.192 -4.386 1.00 0.00 C ATOM 598 O GLY A 35 -21.817 6.058 -4.019 1.00 0.00 O ATOM 0 H GLY A 35 -19.688 3.210 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.524 5.264 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.161 4.729 -6.144 1.00 0.00 H new ATOM 602 N GLN A 36 -20.094 4.676 -3.569 1.00 0.00 N ATOM 603 CA GLN A 36 -20.112 4.907 -2.127 1.00 0.00 C ATOM 604 C GLN A 36 -18.873 5.681 -1.665 1.00 0.00 C ATOM 605 O GLN A 36 -18.875 6.334 -0.621 1.00 0.00 O ATOM 606 CB GLN A 36 -20.281 3.565 -1.391 1.00 0.00 C ATOM 607 CG GLN A 36 -21.285 2.641 -2.106 1.00 0.00 C ATOM 608 CD GLN A 36 -21.749 1.442 -1.284 1.00 0.00 C ATOM 609 OE1 GLN A 36 -21.296 1.217 -0.165 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.652 0.636 -1.814 1.00 0.00 N ATOM 0 H GLN A 36 -19.320 4.094 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 36 -20.966 5.537 -1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.315 3.066 -1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.620 3.750 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -22.158 3.228 -2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.830 2.278 -3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.024 0.829 -2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -22.977 -0.179 -1.293 1.00 0.00 H new ATOM 619 N LEU A 37 -17.804 5.597 -2.453 1.00 0.00 N ATOM 620 CA LEU A 37 -16.580 6.375 -2.284 1.00 0.00 C ATOM 621 C LEU A 37 -16.707 7.778 -2.901 1.00 0.00 C ATOM 622 O LEU A 37 -16.747 7.870 -4.129 1.00 0.00 O ATOM 623 CB LEU A 37 -15.468 5.586 -2.976 1.00 0.00 C ATOM 624 CG LEU A 37 -14.053 5.988 -2.577 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.079 5.120 -3.347 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.644 7.453 -2.812 1.00 0.00 C ATOM 0 H LEU A 37 -17.765 4.965 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.369 6.524 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.604 4.527 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.574 5.706 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.030 5.853 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.058 5.391 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.253 4.072 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.224 5.272 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.615 7.601 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.724 7.687 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.303 8.110 -2.245 1.00 0.00 H new ATOM 638 N LYS A 38 -16.653 8.860 -2.113 1.00 0.00 N ATOM 639 CA LYS A 38 -16.901 10.259 -2.515 1.00 0.00 C ATOM 640 C LYS A 38 -16.676 10.596 -3.999 1.00 0.00 C ATOM 641 O LYS A 38 -17.640 10.831 -4.715 1.00 0.00 O ATOM 642 CB LYS A 38 -16.116 11.241 -1.624 1.00 0.00 C ATOM 643 CG LYS A 38 -16.755 11.482 -0.246 1.00 0.00 C ATOM 644 CD LYS A 38 -16.845 12.980 0.096 1.00 0.00 C ATOM 645 CE LYS A 38 -17.886 13.700 -0.784 1.00 0.00 C ATOM 646 NZ LYS A 38 -18.100 15.105 -0.375 1.00 0.00 N ATOM 0 H LYS A 38 -16.423 8.783 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.974 10.378 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.105 10.859 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.026 12.195 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.754 11.046 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.171 10.970 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.111 13.099 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.868 13.445 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.559 13.674 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.833 13.162 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.808 15.544 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.439 15.133 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.204 15.628 -0.447 1.00 0.00 H new ATOM 660 N ASN A 39 -15.414 10.757 -4.425 1.00 0.00 N ATOM 661 CA ASN A 39 -15.075 11.329 -5.738 1.00 0.00 C ATOM 662 C ASN A 39 -13.650 10.946 -6.135 1.00 0.00 C ATOM 663 O ASN A 39 -12.858 11.796 -6.540 1.00 0.00 O ATOM 664 CB ASN A 39 -15.281 12.867 -5.723 1.00 0.00 C ATOM 665 CG ASN A 39 -16.599 13.277 -6.356 1.00 0.00 C ATOM 666 OD1 ASN A 39 -16.914 12.868 -7.473 1.00 0.00 O ATOM 667 ND2 ASN A 39 -17.371 14.127 -5.696 1.00 0.00 N ATOM 0 H ASN A 39 -14.600 10.495 -3.870 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.744 10.916 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.247 13.226 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.460 13.347 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -18.243 14.453 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -17.094 14.455 -4.771 1.00 0.00 H new ATOM 674 N THR A 40 -13.279 9.678 -5.935 1.00 0.00 N ATOM 675 CA THR A 40 -11.955 9.071 -6.130 1.00 0.00 C ATOM 676 C THR A 40 -10.757 9.738 -5.438 1.00 0.00 C ATOM 677 O THR A 40 -9.688 9.131 -5.398 1.00 0.00 O ATOM 678 CB THR A 40 -11.614 8.838 -7.613 1.00 0.00 C ATOM 679 OG1 THR A 40 -11.532 10.029 -8.364 1.00 0.00 O ATOM 680 CG2 THR A 40 -12.598 7.912 -8.319 1.00 0.00 C ATOM 0 H THR A 40 -13.954 8.989 -5.604 1.00 0.00 H new ATOM 0 HA THR A 40 -12.092 8.122 -5.612 1.00 0.00 H new ATOM 0 HB THR A 40 -10.632 8.366 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.854 10.780 -7.823 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.300 7.790 -9.360 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.600 6.940 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.598 8.343 -8.276 1.00 0.00 H new ATOM 688 N SER A 41 -10.889 10.918 -4.837 1.00 0.00 N ATOM 689 CA SER A 41 -9.759 11.645 -4.270 1.00 0.00 C ATOM 690 C SER A 41 -9.036 10.782 -3.233 1.00 0.00 C ATOM 691 O SER A 41 -7.811 10.674 -3.245 1.00 0.00 O ATOM 692 CB SER A 41 -10.248 12.966 -3.664 1.00 0.00 C ATOM 693 OG SER A 41 -11.207 13.600 -4.500 1.00 0.00 O ATOM 0 H SER A 41 -11.784 11.396 -4.730 1.00 0.00 H new ATOM 0 HA SER A 41 -9.043 11.877 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.686 12.778 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.400 13.633 -3.511 1.00 0.00 H new ATOM 0 HG SER A 41 -11.500 14.438 -4.085 1.00 0.00 H new ATOM 699 N LEU A 42 -9.798 10.080 -2.392 1.00 0.00 N ATOM 700 CA LEU A 42 -9.273 9.183 -1.378 1.00 0.00 C ATOM 701 C LEU A 42 -8.556 8.017 -2.056 1.00 0.00 C ATOM 702 O LEU A 42 -7.449 7.685 -1.650 1.00 0.00 O ATOM 703 CB LEU A 42 -10.451 8.794 -0.459 1.00 0.00 C ATOM 704 CG LEU A 42 -10.432 7.489 0.360 1.00 0.00 C ATOM 705 CD1 LEU A 42 -10.975 6.292 -0.418 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.097 7.090 0.982 1.00 0.00 C ATOM 0 H LEU A 42 -10.817 10.125 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.514 9.643 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.584 9.612 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.344 8.764 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.094 7.748 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.937 5.402 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.007 6.486 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.369 6.133 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.216 6.156 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.355 6.956 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.765 7.872 1.665 1.00 0.00 H new ATOM 718 N ILE A 43 -9.094 7.465 -3.148 1.00 0.00 N ATOM 719 CA ILE A 43 -8.416 6.446 -3.946 1.00 0.00 C ATOM 720 C ILE A 43 -7.074 6.960 -4.450 1.00 0.00 C ATOM 721 O ILE A 43 -6.108 6.211 -4.392 1.00 0.00 O ATOM 722 CB ILE A 43 -9.319 5.929 -5.094 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.017 4.635 -4.663 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.611 5.761 -6.462 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.146 3.398 -4.750 1.00 0.00 C ATOM 0 H ILE A 43 -10.017 7.716 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.214 5.589 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.057 6.712 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.365 4.748 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.900 4.488 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.326 5.395 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.215 6.723 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.794 5.047 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.717 2.527 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.818 3.255 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.275 3.520 -4.106 1.00 0.00 H new ATOM 737 N LYS A 44 -6.965 8.191 -4.947 1.00 0.00 N ATOM 738 CA LYS A 44 -5.716 8.709 -5.479 1.00 0.00 C ATOM 739 C LYS A 44 -4.697 8.829 -4.348 1.00 0.00 C ATOM 740 O LYS A 44 -3.535 8.447 -4.485 1.00 0.00 O ATOM 741 CB LYS A 44 -6.075 10.036 -6.153 1.00 0.00 C ATOM 742 CG LYS A 44 -4.941 10.717 -6.915 1.00 0.00 C ATOM 743 CD LYS A 44 -4.182 11.773 -6.109 1.00 0.00 C ATOM 744 CE LYS A 44 -2.916 11.237 -5.423 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.852 12.268 -5.429 1.00 0.00 N ATOM 0 H LYS A 44 -7.741 8.852 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.244 8.058 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.899 9.860 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.440 10.723 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.236 9.956 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.351 11.186 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.906 12.593 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.848 12.186 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.145 10.947 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.567 10.342 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.002 11.892 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.623 12.525 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.183 13.111 -4.919 1.00 0.00 H new ATOM 759 N LEU A 45 -5.135 9.347 -3.208 1.00 0.00 N ATOM 760 CA LEU A 45 -4.355 9.519 -2.000 1.00 0.00 C ATOM 761 C LEU A 45 -4.028 8.198 -1.311 1.00 0.00 C ATOM 762 O LEU A 45 -3.125 8.154 -0.479 1.00 0.00 O ATOM 763 CB LEU A 45 -5.166 10.399 -1.040 1.00 0.00 C ATOM 764 CG LEU A 45 -4.895 11.909 -1.079 1.00 0.00 C ATOM 765 CD1 LEU A 45 -3.393 12.234 -1.051 1.00 0.00 C ATOM 766 CD2 LEU A 45 -5.572 12.598 -2.262 1.00 0.00 C ATOM 0 H LEU A 45 -6.095 9.674 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.404 9.978 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.224 10.240 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.984 10.049 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.340 12.309 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.254 13.315 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.952 11.836 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.907 11.782 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.347 13.664 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.203 12.168 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.651 12.454 -2.198 1.00 0.00 H new ATOM 778 N THR A 46 -4.743 7.135 -1.642 1.00 0.00 N ATOM 779 CA THR A 46 -4.449 5.778 -1.246 1.00 0.00 C ATOM 780 C THR A 46 -3.422 5.246 -2.229 1.00 0.00 C ATOM 781 O THR A 46 -2.339 4.865 -1.817 1.00 0.00 O ATOM 782 CB THR A 46 -5.795 5.044 -1.224 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.442 5.450 -0.054 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.827 3.531 -1.244 1.00 0.00 C ATOM 0 H THR A 46 -5.581 7.204 -2.220 1.00 0.00 H new ATOM 0 HA THR A 46 -4.008 5.657 -0.257 1.00 0.00 H new ATOM 0 HB THR A 46 -6.257 5.314 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.314 5.008 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.862 3.189 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.342 3.169 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.300 3.144 -0.372 1.00 0.00 H new ATOM 792 N LYS A 47 -3.693 5.293 -3.534 1.00 0.00 N ATOM 793 CA LYS A 47 -2.874 4.780 -4.621 1.00 0.00 C ATOM 794 C LYS A 47 -1.428 5.225 -4.531 1.00 0.00 C ATOM 795 O LYS A 47 -0.567 4.372 -4.706 1.00 0.00 O ATOM 796 CB LYS A 47 -3.498 5.221 -5.956 1.00 0.00 C ATOM 797 CG LYS A 47 -2.782 4.647 -7.178 1.00 0.00 C ATOM 798 CD LYS A 47 -3.163 3.179 -7.392 1.00 0.00 C ATOM 799 CE LYS A 47 -2.109 2.485 -8.257 1.00 0.00 C ATOM 800 NZ LYS A 47 -2.466 1.093 -8.604 1.00 0.00 N ATOM 0 H LYS A 47 -4.552 5.722 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.857 3.692 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.544 4.914 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.484 6.309 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.042 5.228 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.703 4.732 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.247 2.673 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.139 3.115 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.967 3.056 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.155 2.488 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.714 0.677 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.575 0.535 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.361 1.086 -9.134 1.00 0.00 H new ATOM 814 N ARG A 48 -1.154 6.486 -4.212 1.00 0.00 N ATOM 815 CA ARG A 48 0.220 6.963 -4.036 1.00 0.00 C ATOM 816 C ARG A 48 0.975 6.109 -3.035 1.00 0.00 C ATOM 817 O ARG A 48 2.123 5.721 -3.245 1.00 0.00 O ATOM 818 CB ARG A 48 0.181 8.431 -3.610 1.00 0.00 C ATOM 819 CG ARG A 48 -0.331 8.735 -2.194 1.00 0.00 C ATOM 820 CD ARG A 48 -0.427 10.235 -1.890 1.00 0.00 C ATOM 821 NE ARG A 48 0.553 10.642 -0.872 1.00 0.00 N ATOM 822 CZ ARG A 48 1.858 10.868 -1.047 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.378 10.961 -2.269 1.00 0.00 N ATOM 824 NH2 ARG A 48 2.613 11.044 0.032 1.00 0.00 N ATOM 0 H ARG A 48 -1.867 7.202 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 48 0.758 6.880 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.189 8.836 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.445 8.973 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.314 8.282 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.333 8.266 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.261 10.804 -2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.433 10.474 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 48 0.196 10.766 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.778 10.859 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.376 11.134 -2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.193 11.005 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.613 11.218 -0.068 1.00 0.00 H new ATOM 838 N ASP A 49 0.306 5.820 -1.931 1.00 0.00 N ATOM 839 CA ASP A 49 0.838 5.037 -0.846 1.00 0.00 C ATOM 840 C ASP A 49 0.782 3.591 -1.253 1.00 0.00 C ATOM 841 O ASP A 49 1.741 2.893 -1.010 1.00 0.00 O ATOM 842 CB ASP A 49 0.007 5.273 0.418 1.00 0.00 C ATOM 843 CG ASP A 49 0.836 5.497 1.676 1.00 0.00 C ATOM 844 OD1 ASP A 49 2.004 5.940 1.571 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.266 5.268 2.762 1.00 0.00 O ATOM 0 H ASP A 49 -0.650 6.137 -1.768 1.00 0.00 H new ATOM 0 HA ASP A 49 1.867 5.323 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.636 6.139 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.647 4.415 0.575 1.00 0.00 H new ATOM 850 N ILE A 50 -0.251 3.115 -1.950 1.00 0.00 N ATOM 851 CA ILE A 50 -0.273 1.707 -2.348 1.00 0.00 C ATOM 852 C ILE A 50 0.902 1.434 -3.224 1.00 0.00 C ATOM 853 O ILE A 50 1.491 0.378 -3.102 1.00 0.00 O ATOM 854 CB ILE A 50 -1.560 1.254 -3.066 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.440 0.663 -1.979 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.404 0.168 -4.166 1.00 0.00 C ATOM 857 CD1 ILE A 50 -2.986 1.721 -1.031 1.00 0.00 C ATOM 0 H ILE A 50 -1.060 3.663 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.236 1.132 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.951 2.128 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.271 0.129 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.867 -0.069 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.381 -0.061 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.744 0.537 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.978 -0.735 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.608 1.245 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.158 2.238 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.584 2.439 -1.592 1.00 0.00 H new ATOM 869 N ALA A 51 1.215 2.337 -4.132 1.00 0.00 N ATOM 870 CA ALA A 51 2.290 2.125 -5.040 1.00 0.00 C ATOM 871 C ALA A 51 3.600 2.161 -4.260 1.00 0.00 C ATOM 872 O ALA A 51 4.404 1.262 -4.471 1.00 0.00 O ATOM 873 CB ALA A 51 2.150 3.160 -6.156 1.00 0.00 C ATOM 0 H ALA A 51 0.728 3.225 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 51 2.276 1.148 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.958 3.031 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.192 3.026 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.200 4.162 -5.731 1.00 0.00 H new ATOM 879 N ARG A 52 3.782 3.073 -3.298 1.00 0.00 N ATOM 880 CA ARG A 52 4.931 3.085 -2.390 1.00 0.00 C ATOM 881 C ARG A 52 4.996 1.814 -1.531 1.00 0.00 C ATOM 882 O ARG A 52 5.986 1.092 -1.590 1.00 0.00 O ATOM 883 CB ARG A 52 4.899 4.383 -1.560 1.00 0.00 C ATOM 884 CG ARG A 52 6.224 4.681 -0.844 1.00 0.00 C ATOM 885 CD ARG A 52 6.307 3.927 0.488 1.00 0.00 C ATOM 886 NE ARG A 52 6.415 4.841 1.624 1.00 0.00 N ATOM 887 CZ ARG A 52 7.507 5.421 2.116 1.00 0.00 C ATOM 888 NH1 ARG A 52 8.699 5.264 1.553 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.393 6.155 3.206 1.00 0.00 N ATOM 0 H ARG A 52 3.125 3.834 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 52 5.855 3.077 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.653 5.219 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.102 4.313 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.060 4.393 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.313 5.753 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.422 3.302 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.169 3.260 0.475 1.00 0.00 H new ATOM 0 HE ARG A 52 5.541 5.063 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.797 4.685 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.517 5.722 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.483 6.268 3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.215 6.610 3.603 1.00 0.00 H new ATOM 903 N ILE A 53 3.986 1.518 -0.719 1.00 0.00 N ATOM 904 CA ILE A 53 3.901 0.322 0.101 1.00 0.00 C ATOM 905 C ILE A 53 4.042 -0.939 -0.744 1.00 0.00 C ATOM 906 O ILE A 53 4.900 -1.762 -0.454 1.00 0.00 O ATOM 907 CB ILE A 53 2.622 0.354 0.970 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.740 1.364 2.124 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.462 -0.984 1.675 1.00 0.00 C ATOM 910 CD1 ILE A 53 2.208 2.753 1.871 1.00 0.00 C ATOM 0 H ILE A 53 3.176 2.129 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 53 4.742 0.301 0.794 1.00 0.00 H new ATOM 0 HB ILE A 53 1.800 0.605 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.219 0.953 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.792 1.448 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.562 -0.966 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.380 -1.779 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.330 -1.167 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.351 3.365 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.743 3.200 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.145 2.698 1.636 1.00 0.00 H new ATOM 922 N LYS A 54 3.252 -1.146 -1.787 1.00 0.00 N ATOM 923 CA LYS A 54 3.357 -2.374 -2.561 1.00 0.00 C ATOM 924 C LYS A 54 4.759 -2.453 -3.203 1.00 0.00 C ATOM 925 O LYS A 54 5.327 -3.541 -3.249 1.00 0.00 O ATOM 926 CB LYS A 54 2.142 -2.541 -3.518 1.00 0.00 C ATOM 927 CG LYS A 54 2.339 -1.830 -4.872 1.00 0.00 C ATOM 928 CD LYS A 54 3.252 -2.606 -5.839 1.00 0.00 C ATOM 929 CE LYS A 54 2.510 -3.031 -7.102 1.00 0.00 C ATOM 930 NZ LYS A 54 3.389 -3.843 -7.975 1.00 0.00 N ATOM 0 H LYS A 54 2.542 -0.491 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 54 3.287 -3.253 -1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.968 -3.603 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.248 -2.147 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.367 -1.681 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.763 -0.841 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.105 -1.984 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.648 -3.488 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.624 -3.606 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.166 -2.149 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.867 -4.123 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.222 -3.283 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.696 -4.694 -7.463 1.00 0.00 H new ATOM 944 N THR A 55 5.357 -1.324 -3.618 1.00 0.00 N ATOM 945 CA THR A 55 6.757 -1.263 -4.041 1.00 0.00 C ATOM 946 C THR A 55 7.659 -1.774 -2.931 1.00 0.00 C ATOM 947 O THR A 55 8.543 -2.550 -3.258 1.00 0.00 O ATOM 948 CB THR A 55 7.170 0.159 -4.463 1.00 0.00 C ATOM 949 OG1 THR A 55 6.532 0.487 -5.675 1.00 0.00 O ATOM 950 CG2 THR A 55 8.675 0.434 -4.570 1.00 0.00 C ATOM 0 H THR A 55 4.876 -0.426 -3.668 1.00 0.00 H new ATOM 0 HA THR A 55 6.868 -1.903 -4.916 1.00 0.00 H new ATOM 0 HB THR A 55 6.845 0.798 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.673 0.920 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.835 1.468 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.146 0.264 -3.602 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.115 -0.234 -5.310 1.00 0.00 H new ATOM 958 N ILE A 56 7.462 -1.387 -1.662 1.00 0.00 N ATOM 959 CA ILE A 56 8.270 -1.880 -0.542 1.00 0.00 C ATOM 960 C ILE A 56 8.294 -3.392 -0.627 1.00 0.00 C ATOM 961 O ILE A 56 9.394 -3.916 -0.713 1.00 0.00 O ATOM 962 CB ILE A 56 7.815 -1.368 0.844 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.098 0.139 0.958 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.352 -2.155 2.068 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.462 0.531 1.521 1.00 0.00 C ATOM 0 H ILE A 56 6.738 -0.724 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 56 9.279 -1.478 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 56 6.742 -1.552 0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.997 0.582 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.327 0.585 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.969 -1.708 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.024 -3.193 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.441 -2.119 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.544 1.617 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.569 0.129 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.248 0.126 0.884 1.00 0.00 H new ATOM 977 N LEU A 57 7.143 -4.071 -0.654 1.00 0.00 N ATOM 978 CA LEU A 57 7.102 -5.532 -0.725 1.00 0.00 C ATOM 979 C LEU A 57 7.901 -5.992 -1.937 1.00 0.00 C ATOM 980 O LEU A 57 8.788 -6.820 -1.780 1.00 0.00 O ATOM 981 CB LEU A 57 5.647 -6.047 -0.755 1.00 0.00 C ATOM 982 CG LEU A 57 5.485 -7.552 -0.440 1.00 0.00 C ATOM 983 CD1 LEU A 57 3.996 -7.886 -0.296 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.082 -8.462 -1.509 1.00 0.00 C ATOM 0 H LEU A 57 6.224 -3.628 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 57 7.557 -5.956 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.059 -5.475 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.227 -5.849 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 57 6.029 -7.734 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.881 -8.947 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.568 -7.297 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.479 -7.652 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.933 -9.504 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.591 -8.273 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.149 -8.261 -1.604 1.00 0.00 H new ATOM 996 N ARG A 58 7.679 -5.419 -3.122 1.00 0.00 N ATOM 997 CA ARG A 58 8.414 -5.806 -4.322 1.00 0.00 C ATOM 998 C ARG A 58 9.927 -5.705 -4.110 1.00 0.00 C ATOM 999 O ARG A 58 10.653 -6.641 -4.418 1.00 0.00 O ATOM 1000 CB ARG A 58 7.936 -4.972 -5.522 1.00 0.00 C ATOM 1001 CG ARG A 58 7.675 -5.870 -6.737 1.00 0.00 C ATOM 1002 CD ARG A 58 8.943 -6.509 -7.318 1.00 0.00 C ATOM 1003 NE ARG A 58 9.352 -5.887 -8.583 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.425 -6.467 -9.783 1.00 0.00 C ATOM 1005 NH1 ARG A 58 9.044 -7.726 -9.981 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.900 -5.755 -10.794 1.00 0.00 N ATOM 0 H ARG A 58 6.991 -4.681 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 58 8.206 -6.854 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.025 -4.435 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.687 -4.222 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.980 -6.659 -6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.187 -5.282 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.754 -6.423 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.770 -7.573 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 58 9.609 -4.901 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.683 -8.278 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.113 -8.139 -10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.198 -4.791 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.968 -6.171 -11.723 1.00 0.00 H new ATOM 1020 N GLU A 59 10.391 -4.598 -3.551 1.00 0.00 N ATOM 1021 CA GLU A 59 11.791 -4.397 -3.165 1.00 0.00 C ATOM 1022 C GLU A 59 12.278 -5.534 -2.259 1.00 0.00 C ATOM 1023 O GLU A 59 13.421 -5.962 -2.398 1.00 0.00 O ATOM 1024 CB GLU A 59 11.984 -3.059 -2.429 1.00 0.00 C ATOM 1025 CG GLU A 59 11.460 -1.802 -3.138 1.00 0.00 C ATOM 1026 CD GLU A 59 12.476 -0.661 -3.257 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.899 -0.072 -2.232 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.827 -0.302 -4.407 1.00 0.00 O ATOM 0 H GLU A 59 9.798 -3.794 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 59 12.375 -4.386 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.495 -3.131 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.049 -2.925 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.126 -2.078 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.585 -1.436 -2.600 1.00 0.00 H new ATOM 1035 N ARG A 60 11.442 -6.027 -1.332 1.00 0.00 N ATOM 1036 CA ARG A 60 11.759 -7.158 -0.453 1.00 0.00 C ATOM 1037 C ARG A 60 11.800 -8.486 -1.217 1.00 0.00 C ATOM 1038 O ARG A 60 12.499 -9.407 -0.794 1.00 0.00 O ATOM 1039 CB ARG A 60 10.761 -7.312 0.727 1.00 0.00 C ATOM 1040 CG ARG A 60 10.368 -6.087 1.557 1.00 0.00 C ATOM 1041 CD ARG A 60 11.461 -5.304 2.262 1.00 0.00 C ATOM 1042 NE ARG A 60 12.180 -6.067 3.286 1.00 0.00 N ATOM 1043 CZ ARG A 60 13.451 -5.847 3.641 1.00 0.00 C ATOM 1044 NH1 ARG A 60 14.051 -4.704 3.315 1.00 0.00 N ATOM 1045 NH2 ARG A 60 14.114 -6.757 4.329 1.00 0.00 N ATOM 0 H ARG A 60 10.511 -5.642 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 60 12.746 -6.927 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.843 -7.739 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.180 -8.048 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.839 -5.397 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.655 -6.415 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.176 -4.950 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.020 -4.422 2.725 1.00 0.00 H new ATOM 0 HE ARG A 60 11.677 -6.817 3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.541 -3.992 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.020 -4.541 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.658 -7.631 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.083 -6.587 4.598 1.00 0.00 H new ATOM 1059 N GLU A 61 11.070 -8.591 -2.326 1.00 0.00 N ATOM 1060 CA GLU A 61 11.056 -9.782 -3.168 1.00 0.00 C ATOM 1061 C GLU A 61 12.438 -9.955 -3.793 1.00 0.00 C ATOM 1062 O GLU A 61 12.988 -11.052 -3.714 1.00 0.00 O ATOM 1063 CB GLU A 61 9.986 -9.769 -4.277 1.00 0.00 C ATOM 1064 CG GLU A 61 8.525 -9.703 -3.823 1.00 0.00 C ATOM 1065 CD GLU A 61 7.548 -9.679 -5.012 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.691 -10.507 -5.944 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.591 -8.871 -5.006 1.00 0.00 O ATOM 0 H GLU A 61 10.466 -7.843 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 61 10.797 -10.619 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.179 -8.915 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.114 -10.666 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.304 -10.562 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.375 -8.812 -3.214 1.00 0.00 H new ATOM 1074 N LEU A 62 12.996 -8.927 -4.452 1.00 0.00 N ATOM 1075 CA LEU A 62 14.316 -9.012 -5.048 1.00 0.00 C ATOM 1076 C LEU A 62 15.439 -8.836 -4.015 1.00 0.00 C ATOM 1077 O LEU A 62 16.587 -9.186 -4.294 1.00 0.00 O ATOM 1078 CB LEU A 62 14.471 -7.907 -6.096 1.00 0.00 C ATOM 1079 CG LEU A 62 13.354 -7.609 -7.120 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.231 -8.625 -7.326 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.788 -6.201 -6.944 1.00 0.00 C ATOM 0 H LEU A 62 12.539 -8.024 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 62 14.402 -10.005 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.661 -6.980 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.372 -8.134 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 62 13.908 -7.702 -8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.537 -8.252 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.654 -9.573 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.700 -8.776 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.005 -6.029 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.371 -6.099 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.584 -5.469 -7.082 1.00 0.00 H new ATOM 1093 N GLY A 63 15.153 -8.230 -2.860 1.00 0.00 N ATOM 1094 CA GLY A 63 16.150 -7.888 -1.855 1.00 0.00 C ATOM 1095 C GLY A 63 16.774 -6.509 -2.060 1.00 0.00 C ATOM 1096 O GLY A 63 17.836 -6.245 -1.499 1.00 0.00 O ATOM 0 H GLY A 63 14.205 -7.961 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.688 -7.926 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.939 -8.640 -1.866 1.00 0.00 H new ATOM 1100 N ILE A 64 16.150 -5.617 -2.836 1.00 0.00 N ATOM 1101 CA ILE A 64 16.621 -4.266 -3.134 1.00 0.00 C ATOM 1102 C ILE A 64 16.885 -3.471 -1.854 1.00 0.00 C ATOM 1103 O ILE A 64 17.825 -2.679 -1.783 1.00 0.00 O ATOM 1104 CB ILE A 64 15.558 -3.572 -4.023 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.608 -4.037 -5.488 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.580 -2.042 -3.958 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.660 -3.331 -6.346 1.00 0.00 C ATOM 0 H ILE A 64 15.263 -5.829 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 64 17.572 -4.315 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 64 14.612 -3.893 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.802 -5.109 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.628 -3.882 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.805 -1.639 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.397 -1.719 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.554 -1.678 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.623 -3.722 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.458 -2.260 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.650 -3.507 -5.926 1.00 0.00 H new