USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 46 THR OG1 : rot -78:sc= 2.02 USER MOD Set 1.2: A 51 THR OG1 : rot -99:sc= 1.51 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -167:sc= -0.323 (180deg=-0.747) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 82:sc= 0.658 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -155:sc= 1.12 USER MOD Single : A 57 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.3!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.023 -3.621 -0.999 1.00 0.00 N ATOM 60 CA GLY A 7 -9.724 -3.007 -0.791 1.00 0.00 C ATOM 61 C GLY A 7 -9.670 -2.181 0.479 1.00 0.00 C ATOM 62 O GLY A 7 -10.547 -1.353 0.729 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.961 -3.784 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.485 -2.372 -1.644 1.00 0.00 H new ATOM 66 N LYS A 8 -8.639 -2.406 1.286 1.00 0.00 N ATOM 67 CA LYS A 8 -8.473 -1.677 2.538 1.00 0.00 C ATOM 68 C LYS A 8 -7.812 -0.324 2.297 1.00 0.00 C ATOM 69 O LYS A 8 -7.084 -0.143 1.320 1.00 0.00 O ATOM 70 CB LYS A 8 -7.637 -2.498 3.523 1.00 0.00 C ATOM 71 CG LYS A 8 -8.421 -3.596 4.220 1.00 0.00 C ATOM 72 CD LYS A 8 -9.040 -3.102 5.516 1.00 0.00 C ATOM 73 CE LYS A 8 -10.435 -2.539 5.289 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.146 -2.283 6.572 1.00 0.00 N ATOM 0 H LYS A 8 -7.905 -3.088 1.095 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.462 -1.507 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.798 -2.945 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.217 -1.830 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.205 -3.961 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.762 -4.439 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.090 -3.922 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.403 -2.334 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.364 -1.611 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.015 -3.238 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.092 -1.900 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.237 -3.173 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.606 -1.597 7.137 1.00 0.00 H new ATOM 88 N VAL A 9 -8.067 0.623 3.193 1.00 0.00 N ATOM 89 CA VAL A 9 -7.494 1.959 3.079 1.00 0.00 C ATOM 90 C VAL A 9 -6.577 2.266 4.257 1.00 0.00 C ATOM 91 O VAL A 9 -7.040 2.497 5.374 1.00 0.00 O ATOM 92 CB VAL A 9 -8.592 3.036 3.003 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.976 4.415 2.825 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.563 2.727 1.873 1.00 0.00 C ATOM 0 H VAL A 9 -8.667 0.490 4.007 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.914 1.977 2.156 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.147 3.031 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.767 5.163 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.324 4.634 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.395 4.438 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.332 3.498 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.024 2.704 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.029 1.758 2.049 1.00 0.00 H new ATOM 104 N PHE A 10 -5.273 2.268 4.000 1.00 0.00 N ATOM 105 CA PHE A 10 -4.289 2.546 5.039 1.00 0.00 C ATOM 106 C PHE A 10 -3.646 3.914 4.827 1.00 0.00 C ATOM 107 O PHE A 10 -3.479 4.364 3.694 1.00 0.00 O ATOM 108 CB PHE A 10 -3.211 1.460 5.056 1.00 0.00 C ATOM 109 CG PHE A 10 -3.632 0.209 5.772 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.506 -0.686 5.176 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.153 -0.073 7.041 1.00 0.00 C ATOM 112 CE1 PHE A 10 -4.895 -1.837 5.834 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.538 -1.223 7.704 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.409 -2.107 7.098 1.00 0.00 C ATOM 0 H PHE A 10 -4.873 2.080 3.081 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.804 2.551 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.943 1.209 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.314 1.857 5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.887 -0.482 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.470 0.614 7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.579 -2.525 5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.159 -1.430 8.694 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.710 -3.008 7.612 1.00 0.00 H new ATOM 124 N ARG A 11 -3.288 4.570 5.926 1.00 0.00 N ATOM 125 CA ARG A 11 -2.665 5.886 5.862 1.00 0.00 C ATOM 126 C ARG A 11 -1.217 5.826 6.337 1.00 0.00 C ATOM 127 O ARG A 11 -0.907 5.177 7.335 1.00 0.00 O ATOM 128 CB ARG A 11 -3.451 6.888 6.711 1.00 0.00 C ATOM 129 CG ARG A 11 -2.871 8.292 6.688 1.00 0.00 C ATOM 130 CD ARG A 11 -3.416 9.101 5.522 1.00 0.00 C ATOM 131 NE ARG A 11 -4.630 9.829 5.880 1.00 0.00 N ATOM 132 CZ ARG A 11 -4.633 10.940 6.607 1.00 0.00 C ATOM 133 NH1 ARG A 11 -3.492 11.450 7.050 1.00 0.00 N ATOM 134 NH2 ARG A 11 -5.779 11.545 6.892 1.00 0.00 N ATOM 0 H ARG A 11 -3.419 4.211 6.872 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.675 6.214 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.481 6.924 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.481 6.533 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.105 8.799 7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.785 8.237 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.657 9.806 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.627 8.435 4.686 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.525 9.464 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.609 10.989 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.498 12.304 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.659 11.157 6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.780 12.398 7.451 1.00 0.00 H new ATOM 148 N ALA A 12 -0.334 6.508 5.614 1.00 0.00 N ATOM 149 CA ALA A 12 1.082 6.533 5.963 1.00 0.00 C ATOM 150 C ALA A 12 1.333 7.425 7.173 1.00 0.00 C ATOM 151 O ALA A 12 1.335 8.652 7.064 1.00 0.00 O ATOM 152 CB ALA A 12 1.909 7.005 4.776 1.00 0.00 C ATOM 0 H ALA A 12 -0.574 7.050 4.784 1.00 0.00 H new ATOM 0 HA ALA A 12 1.385 5.519 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.964 7.019 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.761 6.326 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.595 8.009 4.490 1.00 0.00 H new ATOM 158 N LEU A 13 1.545 6.802 8.327 1.00 0.00 N ATOM 159 CA LEU A 13 1.797 7.540 9.560 1.00 0.00 C ATOM 160 C LEU A 13 3.025 8.434 9.419 1.00 0.00 C ATOM 161 O LEU A 13 3.127 9.474 10.070 1.00 0.00 O ATOM 162 CB LEU A 13 1.989 6.571 10.728 1.00 0.00 C ATOM 163 CG LEU A 13 0.836 5.603 10.994 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.279 4.488 11.928 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.360 6.344 11.574 1.00 0.00 C ATOM 0 H LEU A 13 1.547 5.788 8.435 1.00 0.00 H new ATOM 0 HA LEU A 13 0.931 8.172 9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.892 5.988 10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.164 7.154 11.632 1.00 0.00 H new ATOM 0 HG LEU A 13 0.536 5.157 10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.445 3.809 12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.104 3.939 11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.607 4.916 12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.171 5.639 11.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.074 6.819 12.512 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.693 7.105 10.869 1.00 0.00 H new ATOM 177 N TYR A 14 3.953 8.023 8.563 1.00 0.00 N ATOM 178 CA TYR A 14 5.175 8.786 8.335 1.00 0.00 C ATOM 179 C TYR A 14 5.815 8.405 7.004 1.00 0.00 C ATOM 180 O TYR A 14 5.553 7.332 6.459 1.00 0.00 O ATOM 181 CB TYR A 14 6.166 8.553 9.476 1.00 0.00 C ATOM 182 CG TYR A 14 5.504 8.274 10.807 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.003 7.013 11.104 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.378 9.272 11.765 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.396 6.754 12.318 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.775 9.021 12.982 1.00 0.00 C ATOM 187 CZ TYR A 14 4.285 7.761 13.254 1.00 0.00 C ATOM 188 OH TYR A 14 3.682 7.508 14.464 1.00 0.00 O ATOM 0 H TYR A 14 3.883 7.166 8.015 1.00 0.00 H new ATOM 0 HA TYR A 14 4.912 9.843 8.301 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.813 7.714 9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.806 9.430 9.575 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.089 6.222 10.374 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.758 10.261 11.555 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.011 5.768 12.533 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.688 9.808 13.717 1.00 0.00 H new ATOM 0 HH TYR A 14 3.686 8.323 15.008 1.00 0.00 H new ATOM 198 N THR A 15 6.659 9.292 6.485 1.00 0.00 N ATOM 199 CA THR A 15 7.338 9.050 5.218 1.00 0.00 C ATOM 200 C THR A 15 8.212 7.804 5.292 1.00 0.00 C ATOM 201 O THR A 15 9.131 7.724 6.107 1.00 0.00 O ATOM 202 CB THR A 15 8.211 10.252 4.811 1.00 0.00 C ATOM 203 OG1 THR A 15 7.415 11.442 4.764 1.00 0.00 O ATOM 204 CG2 THR A 15 8.859 10.016 3.455 1.00 0.00 C ATOM 0 H THR A 15 6.888 10.184 6.923 1.00 0.00 H new ATOM 0 HA THR A 15 6.562 8.902 4.467 1.00 0.00 H new ATOM 0 HB THR A 15 8.998 10.370 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.978 12.202 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.470 10.878 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.487 9.126 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.084 9.874 2.701 1.00 0.00 H new ATOM 212 N PHE A 16 7.921 6.831 4.434 1.00 0.00 N ATOM 213 CA PHE A 16 8.681 5.587 4.401 1.00 0.00 C ATOM 214 C PHE A 16 9.516 5.493 3.128 1.00 0.00 C ATOM 215 O PHE A 16 9.100 5.954 2.066 1.00 0.00 O ATOM 216 CB PHE A 16 7.738 4.386 4.497 1.00 0.00 C ATOM 217 CG PHE A 16 8.400 3.078 4.171 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.366 2.547 5.010 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.055 2.379 3.026 1.00 0.00 C ATOM 220 CE1 PHE A 16 9.976 1.343 4.713 1.00 0.00 C ATOM 221 CE2 PHE A 16 8.661 1.174 2.724 1.00 0.00 C ATOM 222 CZ PHE A 16 9.624 0.656 3.568 1.00 0.00 C ATOM 0 H PHE A 16 7.164 6.881 3.752 1.00 0.00 H new ATOM 0 HA PHE A 16 9.355 5.580 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.328 4.335 5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.898 4.538 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.646 3.080 5.907 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.304 2.780 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.727 0.940 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.382 0.638 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.101 -0.284 3.333 1.00 0.00 H new ATOM 232 N GLU A 17 10.696 4.892 3.244 1.00 0.00 N ATOM 233 CA GLU A 17 11.590 4.738 2.102 1.00 0.00 C ATOM 234 C GLU A 17 11.834 3.263 1.797 1.00 0.00 C ATOM 235 O GLU A 17 12.407 2.524 2.598 1.00 0.00 O ATOM 236 CB GLU A 17 12.921 5.442 2.370 1.00 0.00 C ATOM 237 CG GLU A 17 12.785 6.939 2.592 1.00 0.00 C ATOM 238 CD GLU A 17 12.105 7.274 3.905 1.00 0.00 C ATOM 239 OE1 GLU A 17 12.630 6.871 4.964 1.00 0.00 O ATOM 240 OE2 GLU A 17 11.048 7.938 3.874 1.00 0.00 O ATOM 0 H GLU A 17 11.055 4.504 4.116 1.00 0.00 H new ATOM 0 HA GLU A 17 11.113 5.196 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.389 4.994 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.590 5.268 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.774 7.397 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.216 7.374 1.771 1.00 0.00 H new ATOM 247 N PRO A 18 11.389 2.822 0.611 1.00 0.00 N ATOM 248 CA PRO A 18 11.547 1.433 0.172 1.00 0.00 C ATOM 249 C PRO A 18 12.999 1.083 -0.133 1.00 0.00 C ATOM 250 O PRO A 18 13.625 1.693 -1.001 1.00 0.00 O ATOM 251 CB PRO A 18 10.701 1.365 -1.102 1.00 0.00 C ATOM 252 CG PRO A 18 10.669 2.765 -1.611 1.00 0.00 C ATOM 253 CD PRO A 18 10.697 3.648 -0.394 1.00 0.00 C ATOM 0 HA PRO A 18 11.240 0.725 0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.141 0.688 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.697 0.997 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.523 2.965 -2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.772 2.945 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.230 4.579 -0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.692 3.917 -0.070 1.00 0.00 H new ATOM 261 N ARG A 19 13.529 0.098 0.584 1.00 0.00 N ATOM 262 CA ARG A 19 14.909 -0.332 0.390 1.00 0.00 C ATOM 263 C ARG A 19 15.041 -1.183 -0.869 1.00 0.00 C ATOM 264 O ARG A 19 16.126 -1.306 -1.438 1.00 0.00 O ATOM 265 CB ARG A 19 15.395 -1.122 1.606 1.00 0.00 C ATOM 266 CG ARG A 19 15.613 -0.265 2.842 1.00 0.00 C ATOM 267 CD ARG A 19 14.329 -0.100 3.639 1.00 0.00 C ATOM 268 NE ARG A 19 14.586 0.344 5.007 1.00 0.00 N ATOM 269 CZ ARG A 19 13.730 0.172 6.008 1.00 0.00 C ATOM 270 NH1 ARG A 19 12.569 -0.430 5.797 1.00 0.00 N ATOM 271 NH2 ARG A 19 14.037 0.604 7.225 1.00 0.00 N ATOM 0 H ARG A 19 13.024 -0.418 1.305 1.00 0.00 H new ATOM 0 HA ARG A 19 15.528 0.558 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.668 -1.900 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.329 -1.624 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.377 -0.720 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.987 0.715 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.683 0.621 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.792 -1.048 3.661 1.00 0.00 H new ATOM 0 HE ARG A 19 15.471 0.811 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.330 -0.763 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.914 -0.560 6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.930 1.068 7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.380 0.472 7.994 1.00 0.00 H new ATOM 285 N THR A 20 13.928 -1.770 -1.300 1.00 0.00 N ATOM 286 CA THR A 20 13.919 -2.611 -2.490 1.00 0.00 C ATOM 287 C THR A 20 13.131 -1.957 -3.620 1.00 0.00 C ATOM 288 O THR A 20 12.164 -1.231 -3.394 1.00 0.00 O ATOM 289 CB THR A 20 13.317 -3.997 -2.194 1.00 0.00 C ATOM 290 OG1 THR A 20 11.887 -3.917 -2.182 1.00 0.00 O ATOM 291 CG2 THR A 20 13.812 -4.528 -0.857 1.00 0.00 C ATOM 0 H THR A 20 13.021 -1.678 -0.842 1.00 0.00 H new ATOM 0 HA THR A 20 14.957 -2.733 -2.799 1.00 0.00 H new ATOM 0 HB THR A 20 13.636 -4.683 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.511 -4.803 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.373 -5.508 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.898 -4.615 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.520 -3.842 -0.062 1.00 0.00 H new ATOM 299 N PRO A 21 13.552 -2.221 -4.866 1.00 0.00 N ATOM 300 CA PRO A 21 12.898 -1.668 -6.055 1.00 0.00 C ATOM 301 C PRO A 21 11.517 -2.270 -6.290 1.00 0.00 C ATOM 302 O PRO A 21 10.833 -1.923 -7.253 1.00 0.00 O ATOM 303 CB PRO A 21 13.849 -2.051 -7.193 1.00 0.00 C ATOM 304 CG PRO A 21 14.567 -3.258 -6.696 1.00 0.00 C ATOM 305 CD PRO A 21 14.699 -3.078 -5.209 1.00 0.00 C ATOM 0 HA PRO A 21 12.729 -0.595 -5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.302 -2.266 -8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.544 -1.242 -7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.013 -4.166 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.546 -3.351 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.659 -4.032 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.646 -2.607 -4.944 1.00 0.00 H new ATOM 313 N ASP A 22 11.112 -3.173 -5.404 1.00 0.00 N ATOM 314 CA ASP A 22 9.811 -3.822 -5.514 1.00 0.00 C ATOM 315 C ASP A 22 8.811 -3.202 -4.543 1.00 0.00 C ATOM 316 O ASP A 22 7.601 -3.373 -4.691 1.00 0.00 O ATOM 317 CB ASP A 22 9.941 -5.322 -5.243 1.00 0.00 C ATOM 318 CG ASP A 22 10.712 -6.042 -6.332 1.00 0.00 C ATOM 319 OD1 ASP A 22 11.607 -5.417 -6.939 1.00 0.00 O ATOM 320 OD2 ASP A 22 10.421 -7.231 -6.577 1.00 0.00 O ATOM 0 H ASP A 22 11.666 -3.472 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 22 9.443 -3.675 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.441 -5.473 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.947 -5.760 -5.155 1.00 0.00 H new ATOM 325 N GLU A 23 9.325 -2.484 -3.549 1.00 0.00 N ATOM 326 CA GLU A 23 8.476 -1.841 -2.553 1.00 0.00 C ATOM 327 C GLU A 23 7.885 -0.544 -3.098 1.00 0.00 C ATOM 328 O GLU A 23 8.284 -0.065 -4.160 1.00 0.00 O ATOM 329 CB GLU A 23 9.273 -1.556 -1.279 1.00 0.00 C ATOM 330 CG GLU A 23 9.420 -2.763 -0.369 1.00 0.00 C ATOM 331 CD GLU A 23 10.513 -2.584 0.667 1.00 0.00 C ATOM 332 OE1 GLU A 23 10.769 -1.429 1.066 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.111 -3.600 1.078 1.00 0.00 O ATOM 0 H GLU A 23 10.324 -2.333 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 23 7.658 -2.521 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.265 -1.196 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.784 -0.753 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.473 -2.949 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.638 -3.644 -0.973 1.00 0.00 H new ATOM 340 N LEU A 24 6.930 0.018 -2.365 1.00 0.00 N ATOM 341 CA LEU A 24 6.283 1.259 -2.773 1.00 0.00 C ATOM 342 C LEU A 24 6.676 2.408 -1.851 1.00 0.00 C ATOM 343 O LEU A 24 6.674 2.265 -0.628 1.00 0.00 O ATOM 344 CB LEU A 24 4.763 1.088 -2.774 1.00 0.00 C ATOM 345 CG LEU A 24 3.947 2.336 -3.115 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.002 2.618 -4.608 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.506 2.173 -2.654 1.00 0.00 C ATOM 0 H LEU A 24 6.587 -0.367 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 24 6.617 1.498 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.506 0.304 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.456 0.736 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 24 4.382 3.186 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.416 3.509 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.037 2.779 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.593 1.768 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.940 3.070 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.060 1.312 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.484 2.020 -1.575 1.00 0.00 H new ATOM 359 N TYR A 25 7.012 3.548 -2.445 1.00 0.00 N ATOM 360 CA TYR A 25 7.408 4.723 -1.676 1.00 0.00 C ATOM 361 C TYR A 25 6.234 5.681 -1.502 1.00 0.00 C ATOM 362 O TYR A 25 5.519 5.986 -2.457 1.00 0.00 O ATOM 363 CB TYR A 25 8.569 5.441 -2.365 1.00 0.00 C ATOM 364 CG TYR A 25 8.746 6.874 -1.917 1.00 0.00 C ATOM 365 CD1 TYR A 25 7.919 7.881 -2.399 1.00 0.00 C ATOM 366 CD2 TYR A 25 9.740 7.221 -1.011 1.00 0.00 C ATOM 367 CE1 TYR A 25 8.077 9.191 -1.994 1.00 0.00 C ATOM 368 CE2 TYR A 25 9.906 8.530 -0.598 1.00 0.00 C ATOM 369 CZ TYR A 25 9.072 9.511 -1.093 1.00 0.00 C ATOM 370 OH TYR A 25 9.232 10.815 -0.685 1.00 0.00 O ATOM 0 H TYR A 25 7.018 3.684 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 25 7.730 4.389 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.491 4.892 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.408 5.423 -3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.138 7.634 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.395 6.455 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.426 9.961 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.684 8.783 0.108 1.00 0.00 H new ATOM 0 HH TYR A 25 9.975 10.870 -0.049 1.00 0.00 H new ATOM 380 N PHE A 26 6.041 6.154 -0.275 1.00 0.00 N ATOM 381 CA PHE A 26 4.955 7.078 0.026 1.00 0.00 C ATOM 382 C PHE A 26 5.425 8.182 0.970 1.00 0.00 C ATOM 383 O PHE A 26 6.534 8.128 1.500 1.00 0.00 O ATOM 384 CB PHE A 26 3.776 6.327 0.650 1.00 0.00 C ATOM 385 CG PHE A 26 4.192 5.250 1.611 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.589 4.006 1.148 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.187 5.483 2.977 1.00 0.00 C ATOM 388 CE1 PHE A 26 4.973 3.013 2.030 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.570 4.494 3.863 1.00 0.00 C ATOM 390 CZ PHE A 26 4.962 3.257 3.389 1.00 0.00 C ATOM 0 H PHE A 26 6.623 5.912 0.527 1.00 0.00 H new ATOM 0 HA PHE A 26 4.632 7.536 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.136 7.040 1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.177 5.882 -0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.599 3.810 0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.881 6.448 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.281 2.048 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.563 4.688 4.925 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.259 2.482 4.080 1.00 0.00 H new ATOM 400 N GLU A 27 4.573 9.182 1.173 1.00 0.00 N ATOM 401 CA GLU A 27 4.902 10.299 2.050 1.00 0.00 C ATOM 402 C GLU A 27 3.932 10.370 3.226 1.00 0.00 C ATOM 403 O GLU A 27 2.837 9.810 3.176 1.00 0.00 O ATOM 404 CB GLU A 27 4.873 11.615 1.270 1.00 0.00 C ATOM 405 CG GLU A 27 6.053 11.790 0.329 1.00 0.00 C ATOM 406 CD GLU A 27 6.018 13.114 -0.409 1.00 0.00 C ATOM 407 OE1 GLU A 27 5.537 14.108 0.175 1.00 0.00 O ATOM 408 OE2 GLU A 27 6.473 13.157 -1.571 1.00 0.00 O ATOM 0 H GLU A 27 3.650 9.241 0.742 1.00 0.00 H new ATOM 0 HA GLU A 27 5.907 10.139 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.949 11.666 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.855 12.446 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.980 11.720 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.060 10.975 -0.395 1.00 0.00 H new ATOM 415 N GLU A 28 4.343 11.063 4.284 1.00 0.00 N ATOM 416 CA GLU A 28 3.511 11.207 5.473 1.00 0.00 C ATOM 417 C GLU A 28 2.187 11.885 5.132 1.00 0.00 C ATOM 418 O GLU A 28 2.156 13.052 4.745 1.00 0.00 O ATOM 419 CB GLU A 28 4.249 12.014 6.543 1.00 0.00 C ATOM 420 CG GLU A 28 3.416 12.280 7.786 1.00 0.00 C ATOM 421 CD GLU A 28 4.104 13.216 8.760 1.00 0.00 C ATOM 422 OE1 GLU A 28 5.276 12.956 9.104 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.471 14.208 9.179 1.00 0.00 O ATOM 0 H GLU A 28 5.246 11.533 4.342 1.00 0.00 H new ATOM 0 HA GLU A 28 3.299 10.210 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.154 11.479 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.563 12.966 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.458 12.708 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.203 11.335 8.285 1.00 0.00 H new ATOM 430 N GLY A 29 1.094 11.142 5.278 1.00 0.00 N ATOM 431 CA GLY A 29 -0.218 11.687 4.981 1.00 0.00 C ATOM 432 C GLY A 29 -0.683 11.346 3.579 1.00 0.00 C ATOM 433 O GLY A 29 -1.197 12.205 2.862 1.00 0.00 O ATOM 0 H GLY A 29 1.094 10.173 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.939 11.304 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.193 12.770 5.099 1.00 0.00 H new ATOM 437 N ASP A 30 -0.503 10.090 3.187 1.00 0.00 N ATOM 438 CA ASP A 30 -0.907 9.638 1.861 1.00 0.00 C ATOM 439 C ASP A 30 -1.735 8.360 1.952 1.00 0.00 C ATOM 440 O ASP A 30 -1.341 7.399 2.612 1.00 0.00 O ATOM 441 CB ASP A 30 0.322 9.402 0.981 1.00 0.00 C ATOM 442 CG ASP A 30 0.926 10.696 0.472 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.902 11.697 1.219 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.423 10.708 -0.673 1.00 0.00 O ATOM 0 H ASP A 30 -0.080 9.367 3.768 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.522 10.418 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.073 8.853 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.044 8.776 0.133 1.00 0.00 H new ATOM 449 N ILE A 31 -2.885 8.357 1.285 1.00 0.00 N ATOM 450 CA ILE A 31 -3.768 7.197 1.291 1.00 0.00 C ATOM 451 C ILE A 31 -3.143 6.026 0.540 1.00 0.00 C ATOM 452 O ILE A 31 -2.362 6.220 -0.392 1.00 0.00 O ATOM 453 CB ILE A 31 -5.134 7.527 0.661 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.818 8.657 1.433 1.00 0.00 C ATOM 455 CG2 ILE A 31 -6.017 6.288 0.632 1.00 0.00 C ATOM 456 CD1 ILE A 31 -6.095 8.317 2.881 1.00 0.00 C ATOM 0 H ILE A 31 -3.227 9.145 0.734 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.916 6.918 2.334 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.973 7.859 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.190 9.547 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.758 8.906 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.979 6.537 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.533 5.510 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.173 5.928 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.581 9.163 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.748 7.446 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.156 8.097 3.389 1.00 0.00 H new ATOM 468 N ILE A 32 -3.493 4.813 0.952 1.00 0.00 N ATOM 469 CA ILE A 32 -2.969 3.610 0.316 1.00 0.00 C ATOM 470 C ILE A 32 -4.029 2.517 0.248 1.00 0.00 C ATOM 471 O ILE A 32 -4.805 2.331 1.187 1.00 0.00 O ATOM 472 CB ILE A 32 -1.736 3.069 1.064 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.708 4.183 1.270 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.121 1.907 0.300 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.347 3.849 2.302 1.00 0.00 C ATOM 0 H ILE A 32 -4.137 4.636 1.723 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.676 3.891 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.052 2.708 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.220 4.396 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.226 5.093 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.251 1.536 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.855 1.107 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.816 2.244 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.042 4.684 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.131 3.665 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.891 2.957 1.991 1.00 0.00 H new ATOM 487 N TYR A 33 -4.057 1.795 -0.866 1.00 0.00 N ATOM 488 CA TYR A 33 -5.023 0.719 -1.056 1.00 0.00 C ATOM 489 C TYR A 33 -4.377 -0.642 -0.815 1.00 0.00 C ATOM 490 O TYR A 33 -3.604 -1.130 -1.640 1.00 0.00 O ATOM 491 CB TYR A 33 -5.608 0.775 -2.469 1.00 0.00 C ATOM 492 CG TYR A 33 -6.859 1.618 -2.573 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.781 2.986 -2.803 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.118 1.046 -2.441 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.921 3.760 -2.898 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.264 1.813 -2.536 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.160 3.169 -2.764 1.00 0.00 C ATOM 498 OH TYR A 33 -10.298 3.936 -2.859 1.00 0.00 O ATOM 0 H TYR A 33 -3.422 1.935 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.826 0.853 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.855 1.172 -3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.834 -0.239 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.813 3.452 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.203 -0.016 -2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.843 4.822 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.236 1.353 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.087 3.366 -2.743 1.00 0.00 H new ATOM 508 N ILE A 34 -4.700 -1.249 0.322 1.00 0.00 N ATOM 509 CA ILE A 34 -4.154 -2.555 0.672 1.00 0.00 C ATOM 510 C ILE A 34 -5.154 -3.667 0.375 1.00 0.00 C ATOM 511 O ILE A 34 -6.056 -3.934 1.170 1.00 0.00 O ATOM 512 CB ILE A 34 -3.758 -2.619 2.159 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.817 -1.464 2.509 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.105 -3.956 2.476 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.409 -1.652 1.988 1.00 0.00 C ATOM 0 H ILE A 34 -5.337 -0.858 1.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.263 -2.699 0.061 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.660 -2.524 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.225 -0.538 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.783 -1.350 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.831 -3.986 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.805 -4.763 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.211 -4.078 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.798 -0.796 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.982 -2.560 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.431 -1.736 0.901 1.00 0.00 H new ATOM 527 N THR A 35 -4.988 -4.314 -0.774 1.00 0.00 N ATOM 528 CA THR A 35 -5.875 -5.398 -1.176 1.00 0.00 C ATOM 529 C THR A 35 -5.292 -6.755 -0.797 1.00 0.00 C ATOM 530 O THR A 35 -6.026 -7.684 -0.459 1.00 0.00 O ATOM 531 CB THR A 35 -6.142 -5.373 -2.692 1.00 0.00 C ATOM 532 OG1 THR A 35 -4.903 -5.427 -3.409 1.00 0.00 O ATOM 533 CG2 THR A 35 -6.907 -4.118 -3.086 1.00 0.00 C ATOM 0 H THR A 35 -4.247 -4.106 -1.443 1.00 0.00 H new ATOM 0 HA THR A 35 -6.816 -5.249 -0.646 1.00 0.00 H new ATOM 0 HB THR A 35 -6.747 -6.243 -2.946 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.082 -5.412 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.084 -4.122 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.862 -4.094 -2.561 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.324 -3.237 -2.818 1.00 0.00 H new ATOM 541 N ASP A 36 -3.970 -6.862 -0.853 1.00 0.00 N ATOM 542 CA ASP A 36 -3.288 -8.106 -0.514 1.00 0.00 C ATOM 543 C ASP A 36 -2.578 -7.987 0.831 1.00 0.00 C ATOM 544 O ASP A 36 -1.787 -7.069 1.048 1.00 0.00 O ATOM 545 CB ASP A 36 -2.281 -8.475 -1.605 1.00 0.00 C ATOM 546 CG ASP A 36 -2.087 -9.973 -1.730 1.00 0.00 C ATOM 547 OD1 ASP A 36 -3.097 -10.691 -1.888 1.00 0.00 O ATOM 548 OD2 ASP A 36 -0.926 -10.428 -1.672 1.00 0.00 O ATOM 0 H ASP A 36 -3.348 -6.102 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.038 -8.894 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.621 -8.075 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.323 -8.004 -1.385 1.00 0.00 H new ATOM 553 N MET A 37 -2.867 -8.920 1.732 1.00 0.00 N ATOM 554 CA MET A 37 -2.256 -8.920 3.056 1.00 0.00 C ATOM 555 C MET A 37 -1.704 -10.299 3.401 1.00 0.00 C ATOM 556 O MET A 37 -1.940 -10.817 4.492 1.00 0.00 O ATOM 557 CB MET A 37 -3.275 -8.487 4.111 1.00 0.00 C ATOM 558 CG MET A 37 -3.761 -7.057 3.937 1.00 0.00 C ATOM 559 SD MET A 37 -5.390 -6.784 4.658 1.00 0.00 S ATOM 560 CE MET A 37 -5.211 -5.112 5.276 1.00 0.00 C ATOM 0 H MET A 37 -3.521 -9.686 1.569 1.00 0.00 H new ATOM 0 HA MET A 37 -1.429 -8.210 3.047 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.132 -9.160 4.074 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.829 -8.592 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.045 -6.376 4.398 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.793 -6.815 2.875 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.040 -4.881 5.945 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.270 -5.024 5.820 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.214 -4.413 4.440 1.00 0.00 H new ATOM 570 N SER A 38 -0.969 -10.889 2.464 1.00 0.00 N ATOM 571 CA SER A 38 -0.388 -12.211 2.667 1.00 0.00 C ATOM 572 C SER A 38 0.685 -12.171 3.752 1.00 0.00 C ATOM 573 O SER A 38 0.708 -13.014 4.649 1.00 0.00 O ATOM 574 CB SER A 38 0.212 -12.735 1.361 1.00 0.00 C ATOM 575 OG SER A 38 0.197 -14.151 1.325 1.00 0.00 O ATOM 0 H SER A 38 -0.762 -10.472 1.556 1.00 0.00 H new ATOM 0 HA SER A 38 -1.183 -12.884 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.351 -12.341 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.236 -12.376 1.258 1.00 0.00 H new ATOM 0 HG SER A 38 0.584 -14.461 0.480 1.00 0.00 H new ATOM 581 N ASP A 39 1.571 -11.186 3.663 1.00 0.00 N ATOM 582 CA ASP A 39 2.646 -11.034 4.636 1.00 0.00 C ATOM 583 C ASP A 39 2.329 -9.918 5.626 1.00 0.00 C ATOM 584 O ASP A 39 2.505 -8.737 5.325 1.00 0.00 O ATOM 585 CB ASP A 39 3.969 -10.742 3.925 1.00 0.00 C ATOM 586 CG ASP A 39 5.166 -11.267 4.693 1.00 0.00 C ATOM 587 OD1 ASP A 39 5.032 -11.507 5.911 1.00 0.00 O ATOM 588 OD2 ASP A 39 6.238 -11.438 4.075 1.00 0.00 O ATOM 0 H ASP A 39 1.566 -10.480 2.927 1.00 0.00 H new ATOM 0 HA ASP A 39 2.738 -11.969 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.952 -11.192 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.074 -9.666 3.786 1.00 0.00 H new ATOM 593 N THR A 40 1.860 -10.300 6.810 1.00 0.00 N ATOM 594 CA THR A 40 1.516 -9.332 7.844 1.00 0.00 C ATOM 595 C THR A 40 2.548 -8.212 7.914 1.00 0.00 C ATOM 596 O THR A 40 2.227 -7.082 8.279 1.00 0.00 O ATOM 597 CB THR A 40 1.407 -10.002 9.227 1.00 0.00 C ATOM 598 OG1 THR A 40 0.515 -11.120 9.161 1.00 0.00 O ATOM 599 CG2 THR A 40 0.911 -9.012 10.270 1.00 0.00 C ATOM 0 H THR A 40 1.710 -11.273 7.076 1.00 0.00 H new ATOM 0 HA THR A 40 0.547 -8.913 7.574 1.00 0.00 H new ATOM 0 HB THR A 40 2.399 -10.346 9.519 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.453 -11.541 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.842 -9.508 11.238 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.608 -8.176 10.339 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.073 -8.641 9.981 1.00 0.00 H new ATOM 607 N ASN A 41 3.788 -8.534 7.562 1.00 0.00 N ATOM 608 CA ASN A 41 4.868 -7.554 7.585 1.00 0.00 C ATOM 609 C ASN A 41 4.915 -6.765 6.280 1.00 0.00 C ATOM 610 O ASN A 41 5.148 -5.557 6.281 1.00 0.00 O ATOM 611 CB ASN A 41 6.210 -8.249 7.823 1.00 0.00 C ATOM 612 CG ASN A 41 6.280 -8.923 9.179 1.00 0.00 C ATOM 613 OD1 ASN A 41 6.703 -8.319 10.164 1.00 0.00 O ATOM 614 ND2 ASN A 41 5.863 -10.183 9.235 1.00 0.00 N ATOM 0 H ASN A 41 4.070 -9.466 7.257 1.00 0.00 H new ATOM 0 HA ASN A 41 4.677 -6.858 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.375 -8.992 7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.014 -7.518 7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.886 -10.689 10.120 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.520 -10.645 8.393 1.00 0.00 H new ATOM 621 N TRP A 42 4.692 -7.458 5.169 1.00 0.00 N ATOM 622 CA TRP A 42 4.708 -6.822 3.856 1.00 0.00 C ATOM 623 C TRP A 42 3.344 -6.928 3.183 1.00 0.00 C ATOM 624 O TRP A 42 2.841 -8.026 2.949 1.00 0.00 O ATOM 625 CB TRP A 42 5.779 -7.462 2.970 1.00 0.00 C ATOM 626 CG TRP A 42 7.170 -7.013 3.301 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.186 -7.784 3.787 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.696 -5.688 3.170 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.313 -7.019 3.967 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.039 -5.729 3.595 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.165 -4.471 2.734 1.00 0.00 C ATOM 632 CZ2 TRP A 42 9.854 -4.600 3.597 1.00 0.00 C ATOM 633 CZ3 TRP A 42 7.975 -3.351 2.737 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.307 -3.422 3.165 1.00 0.00 C ATOM 0 H TRP A 42 4.498 -8.459 5.151 1.00 0.00 H new ATOM 0 HA TRP A 42 4.943 -5.767 3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.722 -8.546 3.069 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.567 -7.225 1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.115 -8.841 3.999 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.208 -7.357 4.320 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.140 -4.407 2.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.881 -4.652 3.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.574 -2.405 2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.915 -2.529 3.154 1.00 0.00 H new ATOM 645 N TRP A 43 2.752 -5.780 2.874 1.00 0.00 N ATOM 646 CA TRP A 43 1.445 -5.744 2.227 1.00 0.00 C ATOM 647 C TRP A 43 1.558 -5.217 0.801 1.00 0.00 C ATOM 648 O TRP A 43 2.474 -4.461 0.479 1.00 0.00 O ATOM 649 CB TRP A 43 0.479 -4.873 3.032 1.00 0.00 C ATOM 650 CG TRP A 43 0.047 -5.501 4.322 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.054 -6.831 4.629 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.457 -4.823 5.478 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.416 -7.022 5.907 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.735 -5.805 6.449 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.699 -3.482 5.788 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.243 -5.486 7.705 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.204 -3.167 7.036 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.471 -4.166 7.982 1.00 0.00 C ATOM 0 H TRP A 43 3.156 -4.862 3.061 1.00 0.00 H new ATOM 0 HA TRP A 43 1.058 -6.762 2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.955 -3.916 3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.402 -4.664 2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.381 -7.618 3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.512 -7.923 6.375 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.495 -2.705 5.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.450 -6.254 8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.396 -2.134 7.286 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.864 -3.888 8.949 1.00 0.00 H new ATOM 669 N LYS A 44 0.621 -5.621 -0.050 1.00 0.00 N ATOM 670 CA LYS A 44 0.613 -5.189 -1.442 1.00 0.00 C ATOM 671 C LYS A 44 -0.533 -4.217 -1.704 1.00 0.00 C ATOM 672 O LYS A 44 -1.701 -4.603 -1.692 1.00 0.00 O ATOM 673 CB LYS A 44 0.494 -6.398 -2.373 1.00 0.00 C ATOM 674 CG LYS A 44 1.170 -6.199 -3.718 1.00 0.00 C ATOM 675 CD LYS A 44 1.538 -7.526 -4.360 1.00 0.00 C ATOM 676 CE LYS A 44 0.330 -8.186 -5.007 1.00 0.00 C ATOM 677 NZ LYS A 44 0.023 -7.595 -6.339 1.00 0.00 N ATOM 0 H LYS A 44 -0.144 -6.248 0.201 1.00 0.00 H new ATOM 0 HA LYS A 44 1.554 -4.676 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.930 -7.268 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.561 -6.619 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.506 -5.645 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.068 -5.595 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.312 -7.366 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.958 -8.192 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.516 -9.254 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.536 -8.079 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.806 -8.071 -6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.179 -6.581 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.840 -7.720 -6.971 1.00 0.00 H new ATOM 691 N GLY A 45 -0.191 -2.955 -1.942 1.00 0.00 N ATOM 692 CA GLY A 45 -1.203 -1.949 -2.205 1.00 0.00 C ATOM 693 C GLY A 45 -0.745 -0.915 -3.215 1.00 0.00 C ATOM 694 O GLY A 45 0.432 -0.866 -3.575 1.00 0.00 O ATOM 0 H GLY A 45 0.769 -2.611 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.107 -2.435 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.466 -1.450 -1.272 1.00 0.00 H new ATOM 698 N THR A 46 -1.676 -0.085 -3.674 1.00 0.00 N ATOM 699 CA THR A 46 -1.362 0.951 -4.650 1.00 0.00 C ATOM 700 C THR A 46 -1.737 2.332 -4.125 1.00 0.00 C ATOM 701 O THR A 46 -2.881 2.572 -3.740 1.00 0.00 O ATOM 702 CB THR A 46 -2.093 0.706 -5.984 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.387 -0.271 -6.757 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.215 1.997 -6.779 1.00 0.00 C ATOM 0 H THR A 46 -2.654 -0.110 -3.385 1.00 0.00 H new ATOM 0 HA THR A 46 -0.286 0.909 -4.820 1.00 0.00 H new ATOM 0 HB THR A 46 -3.095 0.338 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.605 0.146 -7.175 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.734 1.799 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.778 2.729 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.220 2.389 -6.991 1.00 0.00 H new ATOM 712 N SER A 47 -0.765 3.239 -4.113 1.00 0.00 N ATOM 713 CA SER A 47 -0.992 4.597 -3.632 1.00 0.00 C ATOM 714 C SER A 47 -0.893 5.602 -4.776 1.00 0.00 C ATOM 715 O SER A 47 -1.905 6.097 -5.273 1.00 0.00 O ATOM 716 CB SER A 47 0.019 4.950 -2.540 1.00 0.00 C ATOM 717 OG SER A 47 -0.070 6.318 -2.184 1.00 0.00 O ATOM 0 H SER A 47 0.187 3.058 -4.431 1.00 0.00 H new ATOM 0 HA SER A 47 -1.998 4.645 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.159 4.330 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.027 4.727 -2.888 1.00 0.00 H new ATOM 0 HG SER A 47 -0.810 6.445 -1.554 1.00 0.00 H new ATOM 723 N LYS A 48 0.334 5.900 -5.189 1.00 0.00 N ATOM 724 CA LYS A 48 0.568 6.844 -6.275 1.00 0.00 C ATOM 725 C LYS A 48 0.825 6.112 -7.588 1.00 0.00 C ATOM 726 O LYS A 48 1.937 5.655 -7.848 1.00 0.00 O ATOM 727 CB LYS A 48 1.757 7.750 -5.943 1.00 0.00 C ATOM 728 CG LYS A 48 1.961 8.875 -6.942 1.00 0.00 C ATOM 729 CD LYS A 48 0.931 9.977 -6.760 1.00 0.00 C ATOM 730 CE LYS A 48 0.986 10.986 -7.897 1.00 0.00 C ATOM 731 NZ LYS A 48 0.322 12.268 -7.533 1.00 0.00 N ATOM 0 H LYS A 48 1.183 5.501 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.327 7.455 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.611 8.178 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.663 7.145 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.962 9.289 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.896 8.479 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.066 9.539 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.105 10.486 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.026 11.178 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.504 10.565 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.381 12.929 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.677 12.089 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.797 12.683 -6.706 1.00 0.00 H new ATOM 745 N GLY A 49 -0.212 6.005 -8.413 1.00 0.00 N ATOM 746 CA GLY A 49 -0.077 5.328 -9.690 1.00 0.00 C ATOM 747 C GLY A 49 1.009 4.271 -9.674 1.00 0.00 C ATOM 748 O GLY A 49 1.789 4.159 -10.620 1.00 0.00 O ATOM 0 H GLY A 49 -1.143 6.375 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.027 4.864 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.146 6.062 -10.465 1.00 0.00 H new ATOM 752 N ARG A 50 1.063 3.495 -8.596 1.00 0.00 N ATOM 753 CA ARG A 50 2.064 2.445 -8.460 1.00 0.00 C ATOM 754 C ARG A 50 1.518 1.275 -7.647 1.00 0.00 C ATOM 755 O ARG A 50 0.498 1.399 -6.966 1.00 0.00 O ATOM 756 CB ARG A 50 3.326 2.997 -7.795 1.00 0.00 C ATOM 757 CG ARG A 50 4.102 3.967 -8.671 1.00 0.00 C ATOM 758 CD ARG A 50 5.062 4.813 -7.850 1.00 0.00 C ATOM 759 NE ARG A 50 6.163 4.021 -7.307 1.00 0.00 N ATOM 760 CZ ARG A 50 7.258 3.716 -7.994 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.399 4.136 -9.243 1.00 0.00 N ATOM 762 NH2 ARG A 50 8.216 2.991 -7.430 1.00 0.00 N ATOM 0 H ARG A 50 0.425 3.574 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 50 2.315 2.086 -9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.048 3.500 -6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.977 2.166 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.659 3.412 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.406 4.616 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.463 5.613 -8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.519 5.287 -7.032 1.00 0.00 H new ATOM 0 HE ARG A 50 6.087 3.684 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.666 4.695 -9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.241 3.900 -9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.112 2.668 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.057 2.757 -7.958 1.00 0.00 H new ATOM 776 N THR A 51 2.202 0.138 -7.722 1.00 0.00 N ATOM 777 CA THR A 51 1.785 -1.055 -6.995 1.00 0.00 C ATOM 778 C THR A 51 2.990 -1.843 -6.494 1.00 0.00 C ATOM 779 O THR A 51 3.688 -2.490 -7.274 1.00 0.00 O ATOM 780 CB THR A 51 0.914 -1.973 -7.873 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.017 -1.189 -8.628 1.00 0.00 O ATOM 782 CG2 THR A 51 0.161 -2.983 -7.021 1.00 0.00 C ATOM 0 H THR A 51 3.048 0.018 -8.279 1.00 0.00 H new ATOM 0 HA THR A 51 1.196 -0.716 -6.143 1.00 0.00 H new ATOM 0 HB THR A 51 1.569 -2.515 -8.555 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.891 -1.201 -8.184 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.447 -3.620 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.873 -3.598 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.484 -2.457 -6.317 1.00 0.00 H new ATOM 790 N GLY A 52 3.228 -1.785 -5.188 1.00 0.00 N ATOM 791 CA GLY A 52 4.350 -2.499 -4.606 1.00 0.00 C ATOM 792 C GLY A 52 4.113 -2.867 -3.154 1.00 0.00 C ATOM 793 O GLY A 52 3.016 -2.674 -2.628 1.00 0.00 O ATOM 0 H GLY A 52 2.664 -1.257 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.538 -3.406 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.246 -1.883 -4.680 1.00 0.00 H new ATOM 797 N LEU A 53 5.143 -3.399 -2.505 1.00 0.00 N ATOM 798 CA LEU A 53 5.042 -3.796 -1.105 1.00 0.00 C ATOM 799 C LEU A 53 5.023 -2.574 -0.192 1.00 0.00 C ATOM 800 O LEU A 53 5.625 -1.546 -0.503 1.00 0.00 O ATOM 801 CB LEU A 53 6.209 -4.710 -0.728 1.00 0.00 C ATOM 802 CG LEU A 53 6.113 -6.156 -1.215 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.404 -6.905 -0.923 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.928 -6.859 -0.569 1.00 0.00 C ATOM 0 H LEU A 53 6.057 -3.565 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 53 4.106 -4.339 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.127 -4.275 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.301 -4.719 0.358 1.00 0.00 H new ATOM 0 HG LEU A 53 5.960 -6.146 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.317 -7.932 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.233 -6.415 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.589 -6.906 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.875 -7.887 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.051 -6.858 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.008 -6.336 -0.830 1.00 0.00 H new ATOM 816 N ILE A 54 4.330 -2.695 0.935 1.00 0.00 N ATOM 817 CA ILE A 54 4.236 -1.601 1.894 1.00 0.00 C ATOM 818 C ILE A 54 4.415 -2.105 3.322 1.00 0.00 C ATOM 819 O ILE A 54 3.837 -3.113 3.728 1.00 0.00 O ATOM 820 CB ILE A 54 2.885 -0.871 1.785 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.540 -0.607 0.318 1.00 0.00 C ATOM 822 CG2 ILE A 54 2.922 0.433 2.569 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.131 -0.097 0.111 1.00 0.00 C ATOM 0 H ILE A 54 3.826 -3.539 1.207 1.00 0.00 H new ATOM 0 HA ILE A 54 5.037 -0.902 1.655 1.00 0.00 H new ATOM 0 HB ILE A 54 2.110 -1.507 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.244 0.120 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.671 -1.528 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.960 0.937 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.127 0.221 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.706 1.076 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.956 0.068 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.419 -0.832 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.001 0.841 0.650 1.00 0.00 H new ATOM 835 N PRO A 55 5.235 -1.388 4.105 1.00 0.00 N ATOM 836 CA PRO A 55 5.507 -1.742 5.501 1.00 0.00 C ATOM 837 C PRO A 55 4.296 -1.523 6.401 1.00 0.00 C ATOM 838 O PRO A 55 3.854 -0.392 6.599 1.00 0.00 O ATOM 839 CB PRO A 55 6.643 -0.793 5.892 1.00 0.00 C ATOM 840 CG PRO A 55 6.491 0.375 4.981 1.00 0.00 C ATOM 841 CD PRO A 55 5.958 -0.175 3.687 1.00 0.00 C ATOM 0 HA PRO A 55 5.757 -2.797 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.566 -0.493 6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.616 -1.268 5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.808 1.112 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.446 0.877 4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.297 0.535 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.761 -0.407 2.987 1.00 0.00 H new ATOM 849 N SER A 56 3.764 -2.614 6.945 1.00 0.00 N ATOM 850 CA SER A 56 2.602 -2.541 7.822 1.00 0.00 C ATOM 851 C SER A 56 2.942 -1.807 9.116 1.00 0.00 C ATOM 852 O SER A 56 2.059 -1.476 9.905 1.00 0.00 O ATOM 853 CB SER A 56 2.088 -3.946 8.140 1.00 0.00 C ATOM 854 OG SER A 56 2.891 -4.572 9.127 1.00 0.00 O ATOM 0 H SER A 56 4.120 -3.558 6.793 1.00 0.00 H new ATOM 0 HA SER A 56 1.821 -1.984 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.057 -3.889 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.085 -4.550 7.232 1.00 0.00 H new ATOM 0 HG SER A 56 2.823 -5.545 9.035 1.00 0.00 H new ATOM 860 N ASN A 57 4.231 -1.556 9.325 1.00 0.00 N ATOM 861 CA ASN A 57 4.690 -0.862 10.522 1.00 0.00 C ATOM 862 C ASN A 57 4.468 0.643 10.397 1.00 0.00 C ATOM 863 O ASN A 57 4.120 1.313 11.370 1.00 0.00 O ATOM 864 CB ASN A 57 6.172 -1.152 10.769 1.00 0.00 C ATOM 865 CG ASN A 57 6.389 -2.453 11.516 1.00 0.00 C ATOM 866 OD1 ASN A 57 5.576 -2.844 12.354 1.00 0.00 O ATOM 867 ND2 ASN A 57 7.492 -3.130 11.216 1.00 0.00 N ATOM 0 H ASN A 57 4.975 -1.823 8.681 1.00 0.00 H new ATOM 0 HA ASN A 57 4.110 -1.228 11.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.696 -1.193 9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.610 -0.332 11.338 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.693 -4.012 11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.138 -2.768 10.514 1.00 0.00 H new ATOM 874 N TYR A 58 4.672 1.167 9.194 1.00 0.00 N ATOM 875 CA TYR A 58 4.497 2.592 8.941 1.00 0.00 C ATOM 876 C TYR A 58 3.020 2.938 8.771 1.00 0.00 C ATOM 877 O TYR A 58 2.533 3.922 9.327 1.00 0.00 O ATOM 878 CB TYR A 58 5.277 3.010 7.694 1.00 0.00 C ATOM 879 CG TYR A 58 6.703 3.421 7.981 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.714 2.472 8.079 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.041 4.757 8.153 1.00 0.00 C ATOM 882 CE1 TYR A 58 9.018 2.843 8.343 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.343 5.137 8.415 1.00 0.00 C ATOM 884 CZ TYR A 58 9.328 4.176 8.509 1.00 0.00 C ATOM 885 OH TYR A 58 10.626 4.550 8.770 1.00 0.00 O ATOM 0 H TYR A 58 4.959 0.626 8.378 1.00 0.00 H new ATOM 0 HA TYR A 58 4.883 3.138 9.802 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.282 2.182 6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.759 3.839 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.476 1.427 7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.272 5.512 8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.791 2.093 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.588 6.181 8.545 1.00 0.00 H new ATOM 0 HH TYR A 58 10.674 5.525 8.859 1.00 0.00 H new ATOM 895 N VAL A 59 2.313 2.119 7.999 1.00 0.00 N ATOM 896 CA VAL A 59 0.892 2.335 7.756 1.00 0.00 C ATOM 897 C VAL A 59 0.039 1.540 8.738 1.00 0.00 C ATOM 898 O VAL A 59 0.493 0.550 9.310 1.00 0.00 O ATOM 899 CB VAL A 59 0.502 1.942 6.318 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.482 2.534 5.318 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.436 0.428 6.180 1.00 0.00 C ATOM 0 H VAL A 59 2.701 1.300 7.531 1.00 0.00 H new ATOM 0 HA VAL A 59 0.705 3.400 7.897 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.487 2.348 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.190 2.246 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.475 3.621 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.485 2.161 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.159 0.167 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.410 -0.001 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.309 0.032 6.870 1.00 0.00 H new ATOM 911 N ALA A 60 -1.201 1.980 8.928 1.00 0.00 N ATOM 912 CA ALA A 60 -2.119 1.308 9.839 1.00 0.00 C ATOM 913 C ALA A 60 -3.567 1.504 9.403 1.00 0.00 C ATOM 914 O ALA A 60 -3.898 2.493 8.749 1.00 0.00 O ATOM 915 CB ALA A 60 -1.919 1.816 11.259 1.00 0.00 C ATOM 0 H ALA A 60 -1.593 2.799 8.463 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.901 0.240 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.611 1.306 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.895 1.618 11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.108 2.889 11.291 1.00 0.00 H new ATOM 921 N GLU A 61 -4.424 0.557 9.769 1.00 0.00 N ATOM 922 CA GLU A 61 -5.837 0.627 9.414 1.00 0.00 C ATOM 923 C GLU A 61 -6.412 2.002 9.739 1.00 0.00 C ATOM 924 O GLU A 61 -6.356 2.455 10.882 1.00 0.00 O ATOM 925 CB GLU A 61 -6.626 -0.456 10.154 1.00 0.00 C ATOM 926 CG GLU A 61 -7.968 -0.774 9.516 1.00 0.00 C ATOM 927 CD GLU A 61 -8.558 -2.078 10.017 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.975 -3.143 9.727 1.00 0.00 O ATOM 929 OE2 GLU A 61 -9.602 -2.032 10.700 1.00 0.00 O ATOM 0 H GLU A 61 -4.165 -0.268 10.311 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.924 0.460 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.028 -1.366 10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.789 -0.136 11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.665 0.038 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.848 -0.826 8.434 1.00 0.00 H new