USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 27 GLN : amide:sc= -0.062 K(o=-1.5,f=-3.5!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -159:sc= -1.43 (180deg=-1.38) USER MOD Set 2.1: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.013 (180deg=-0.207) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= 1.54 (180deg=0.291) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -0.0566 (180deg=-0.441) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00257 X(o=-0.0026,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -172:sc= -9.48! USER MOD Single : A 43 LYS NZ :NH3+ -106:sc= 0.191 (180deg=-2.81!) USER MOD Single : A 46 GLN : amide:sc= -0.0599 K(o=-0.06,f=-1.3!) USER MOD Single : A 47 THR OG1 : rot 63:sc= 0.906 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 33:sc= 0.183 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0608 K(o=-0.061,f=-1.5!) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0102) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -0.584 -4.255 -7.807 1.00 0.00 N ATOM 67 CA TYR A 8 -0.023 -4.327 -6.464 1.00 0.00 C ATOM 68 C TYR A 8 -0.959 -3.680 -5.447 1.00 0.00 C ATOM 69 O TYR A 8 -0.982 -4.063 -4.277 1.00 0.00 O ATOM 70 CB TYR A 8 1.345 -3.643 -6.422 1.00 0.00 C ATOM 71 CG TYR A 8 2.096 -3.711 -7.732 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.917 -2.740 -8.710 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.984 -4.748 -7.994 1.00 0.00 C ATOM 74 CE1 TYR A 8 2.601 -2.798 -9.909 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.673 -4.814 -9.189 1.00 0.00 C ATOM 76 CZ TYR A 8 3.478 -3.837 -10.144 1.00 0.00 C ATOM 77 OH TYR A 8 4.161 -3.900 -11.336 1.00 0.00 O ATOM 0 HA TYR A 8 0.096 -5.379 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.211 -2.598 -6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.949 -4.106 -5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.231 -1.926 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.138 -5.516 -7.250 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.450 -2.035 -10.658 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.361 -5.626 -9.375 1.00 0.00 H new ATOM 0 HH TYR A 8 4.738 -4.692 -11.341 1.00 0.00 H new ATOM 87 N ILE A 9 -1.729 -2.698 -5.903 1.00 0.00 N ATOM 88 CA ILE A 9 -2.668 -1.998 -5.035 1.00 0.00 C ATOM 89 C ILE A 9 -3.260 -2.941 -3.993 1.00 0.00 C ATOM 90 O ILE A 9 -3.449 -2.565 -2.837 1.00 0.00 O ATOM 91 CB ILE A 9 -3.813 -1.360 -5.843 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.250 -0.510 -6.984 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.697 -0.518 -4.935 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.237 0.518 -6.529 1.00 0.00 C ATOM 0 H ILE A 9 -1.721 -2.369 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.107 -1.210 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.421 -2.156 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.785 -1.166 -7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.072 -0.000 -7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.502 -0.074 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.122 -1.149 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.101 0.273 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.881 1.084 -7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.704 1.198 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.396 0.014 -6.053 1.00 0.00 H new ATOM 106 N GLY A 10 -3.549 -4.170 -4.410 1.00 0.00 N ATOM 107 CA GLY A 10 -4.115 -5.148 -3.500 1.00 0.00 C ATOM 108 C GLY A 10 -3.056 -6.015 -2.849 1.00 0.00 C ATOM 109 O GLY A 10 -3.252 -6.526 -1.746 1.00 0.00 O ATOM 0 H GLY A 10 -3.401 -4.506 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.684 -4.633 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.816 -5.782 -4.043 1.00 0.00 H new ATOM 113 N LEU A 11 -1.929 -6.184 -3.533 1.00 0.00 N ATOM 114 CA LEU A 11 -0.834 -6.998 -3.016 1.00 0.00 C ATOM 115 C LEU A 11 -0.544 -6.655 -1.558 1.00 0.00 C ATOM 116 O LEU A 11 -0.648 -7.508 -0.677 1.00 0.00 O ATOM 117 CB LEU A 11 0.424 -6.791 -3.861 1.00 0.00 C ATOM 118 CG LEU A 11 0.555 -7.681 -5.098 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.724 -7.229 -5.959 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.723 -9.138 -4.691 1.00 0.00 C ATOM 0 H LEU A 11 -1.750 -5.768 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.133 -8.045 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.455 -5.750 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.295 -6.955 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.359 -7.591 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.802 -7.874 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.563 -6.200 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.646 -7.289 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.815 -9.757 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.621 -9.244 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.146 -9.458 -4.116 1.00 0.00 H new ATOM 132 N VAL A 12 -0.180 -5.401 -1.311 1.00 0.00 N ATOM 133 CA VAL A 12 0.123 -4.944 0.040 1.00 0.00 C ATOM 134 C VAL A 12 -0.895 -5.479 1.041 1.00 0.00 C ATOM 135 O VAL A 12 -0.537 -6.162 2.000 1.00 0.00 O ATOM 136 CB VAL A 12 0.146 -3.406 0.120 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.043 -2.946 1.566 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.406 -2.858 -0.534 1.00 0.00 C ATOM 0 H VAL A 12 -0.088 -4.683 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 12 1.112 -5.328 0.291 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.716 -3.017 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.061 -1.857 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.890 -3.309 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.884 -3.342 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.406 -1.770 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.283 -3.252 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.432 -3.159 -1.581 1.00 0.00 H new ATOM 148 N ASN A 13 -2.165 -5.164 0.811 1.00 0.00 N ATOM 149 CA ASN A 13 -3.236 -5.613 1.694 1.00 0.00 C ATOM 150 C ASN A 13 -2.995 -7.047 2.155 1.00 0.00 C ATOM 151 O ASN A 13 -3.025 -7.339 3.351 1.00 0.00 O ATOM 152 CB ASN A 13 -4.587 -5.515 0.982 1.00 0.00 C ATOM 153 CG ASN A 13 -5.257 -4.171 1.197 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.740 -3.873 2.290 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.289 -3.353 0.152 1.00 0.00 N ATOM 0 H ASN A 13 -2.478 -4.600 0.021 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.247 -4.965 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.445 -5.680 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.243 -6.307 1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.727 -2.435 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.876 -3.642 -0.735 1.00 0.00 H new ATOM 162 N SER A 14 -2.755 -7.939 1.199 1.00 0.00 N ATOM 163 CA SER A 14 -2.512 -9.343 1.506 1.00 0.00 C ATOM 164 C SER A 14 -1.128 -9.533 2.119 1.00 0.00 C ATOM 165 O SER A 14 -0.997 -9.969 3.263 1.00 0.00 O ATOM 166 CB SER A 14 -2.643 -10.194 0.242 1.00 0.00 C ATOM 167 OG SER A 14 -3.983 -10.221 -0.218 1.00 0.00 O ATOM 0 H SER A 14 -2.724 -7.714 0.205 1.00 0.00 H new ATOM 0 HA SER A 14 -3.259 -9.665 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.995 -9.794 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.305 -11.210 0.447 1.00 0.00 H new ATOM 0 HG SER A 14 -4.040 -10.770 -1.028 1.00 0.00 H new ATOM 173 N PHE A 15 -0.096 -9.203 1.350 1.00 0.00 N ATOM 174 CA PHE A 15 1.279 -9.337 1.815 1.00 0.00 C ATOM 175 C PHE A 15 1.376 -9.061 3.313 1.00 0.00 C ATOM 176 O PHE A 15 1.941 -9.855 4.065 1.00 0.00 O ATOM 177 CB PHE A 15 2.195 -8.381 1.049 1.00 0.00 C ATOM 178 CG PHE A 15 3.619 -8.852 0.966 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.522 -8.549 1.973 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.055 -9.598 -0.117 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.833 -8.981 1.899 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.364 -10.033 -0.196 1.00 0.00 C ATOM 183 CZ PHE A 15 6.255 -9.724 0.814 1.00 0.00 C ATOM 0 H PHE A 15 -0.186 -8.840 0.401 1.00 0.00 H new ATOM 0 HA PHE A 15 1.600 -10.362 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.805 -8.248 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.172 -7.404 1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.198 -7.969 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.363 -9.843 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.527 -8.737 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.690 -10.614 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.279 -10.063 0.755 1.00 0.00 H new ATOM 193 N ALA A 16 0.822 -7.931 3.737 1.00 0.00 N ATOM 194 CA ALA A 16 0.844 -7.550 5.144 1.00 0.00 C ATOM 195 C ALA A 16 0.319 -8.678 6.026 1.00 0.00 C ATOM 196 O ALA A 16 1.065 -9.258 6.815 1.00 0.00 O ATOM 197 CB ALA A 16 0.028 -6.284 5.361 1.00 0.00 C ATOM 0 H ALA A 16 0.352 -7.263 3.126 1.00 0.00 H new ATOM 0 HA ALA A 16 1.879 -7.355 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.053 -6.011 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.449 -5.473 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.004 -6.459 5.056 1.00 0.00 H new ATOM 203 N GLN A 17 -0.967 -8.982 5.887 1.00 0.00 N ATOM 204 CA GLN A 17 -1.590 -10.040 6.674 1.00 0.00 C ATOM 205 C GLN A 17 -0.771 -11.324 6.605 1.00 0.00 C ATOM 206 O GLN A 17 -0.469 -11.937 7.629 1.00 0.00 O ATOM 207 CB GLN A 17 -3.013 -10.302 6.178 1.00 0.00 C ATOM 208 CG GLN A 17 -3.964 -10.759 7.272 1.00 0.00 C ATOM 209 CD GLN A 17 -4.263 -9.667 8.280 1.00 0.00 C ATOM 210 OE1 GLN A 17 -3.954 -8.496 8.054 1.00 0.00 O ATOM 211 NE2 GLN A 17 -4.866 -10.044 9.401 1.00 0.00 N ATOM 0 H GLN A 17 -1.597 -8.512 5.238 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.629 -9.711 7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.404 -9.391 5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.982 -11.060 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.897 -11.096 6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.532 -11.616 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.104 -11.025 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.091 -9.353 10.116 1.00 0.00 H new ATOM 220 N LYS A 18 -0.414 -11.728 5.390 1.00 0.00 N ATOM 221 CA LYS A 18 0.372 -12.939 5.186 1.00 0.00 C ATOM 222 C LYS A 18 1.646 -12.909 6.024 1.00 0.00 C ATOM 223 O LYS A 18 2.058 -13.925 6.584 1.00 0.00 O ATOM 224 CB LYS A 18 0.726 -13.099 3.706 1.00 0.00 C ATOM 225 CG LYS A 18 -0.483 -13.305 2.810 1.00 0.00 C ATOM 226 CD LYS A 18 -0.209 -12.845 1.388 1.00 0.00 C ATOM 227 CE LYS A 18 -1.229 -13.413 0.413 1.00 0.00 C ATOM 228 NZ LYS A 18 -1.049 -14.878 0.213 1.00 0.00 N ATOM 0 H LYS A 18 -0.657 -11.234 4.531 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.230 -13.790 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.268 -12.214 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.401 -13.947 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.758 -14.360 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.334 -12.756 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.231 -11.756 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.793 -13.155 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.235 -13.218 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.139 -12.902 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.551 -15.175 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.036 -15.093 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.434 -15.390 1.032 1.00 0.00 H new ATOM 242 N LYS A 19 2.267 -11.737 6.106 1.00 0.00 N ATOM 243 CA LYS A 19 3.493 -11.572 6.878 1.00 0.00 C ATOM 244 C LYS A 19 3.183 -11.139 8.307 1.00 0.00 C ATOM 245 O LYS A 19 4.044 -10.605 9.006 1.00 0.00 O ATOM 246 CB LYS A 19 4.407 -10.543 6.209 1.00 0.00 C ATOM 247 CG LYS A 19 5.379 -11.150 5.212 1.00 0.00 C ATOM 248 CD LYS A 19 4.704 -11.440 3.882 1.00 0.00 C ATOM 249 CE LYS A 19 5.688 -12.006 2.870 1.00 0.00 C ATOM 250 NZ LYS A 19 5.004 -12.473 1.632 1.00 0.00 N ATOM 0 H LYS A 19 1.941 -10.887 5.647 1.00 0.00 H new ATOM 0 HA LYS A 19 4.003 -12.535 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.793 -9.801 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.971 -10.016 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.215 -10.468 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.792 -12.072 5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.889 -12.147 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.263 -10.524 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.423 -11.244 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.233 -12.836 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.280 -13.456 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.974 -12.423 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.280 -11.867 0.833 1.00 0.00 H new ATOM 264 N LYS A 20 1.947 -11.374 8.737 1.00 0.00 N ATOM 265 CA LYS A 20 1.523 -11.011 10.084 1.00 0.00 C ATOM 266 C LYS A 20 1.978 -9.598 10.435 1.00 0.00 C ATOM 267 O LYS A 20 2.361 -9.324 11.573 1.00 0.00 O ATOM 268 CB LYS A 20 2.082 -12.007 11.102 1.00 0.00 C ATOM 269 CG LYS A 20 1.596 -13.430 10.892 1.00 0.00 C ATOM 270 CD LYS A 20 2.566 -14.443 11.478 1.00 0.00 C ATOM 271 CE LYS A 20 3.705 -14.745 10.516 1.00 0.00 C ATOM 272 NZ LYS A 20 3.226 -15.447 9.292 1.00 0.00 N ATOM 0 H LYS A 20 1.221 -11.814 8.171 1.00 0.00 H new ATOM 0 HA LYS A 20 0.434 -11.041 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.171 -11.993 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.805 -11.682 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.617 -13.553 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.471 -13.619 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.971 -14.061 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.033 -15.364 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.197 -13.815 10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.452 -15.360 11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.010 -15.985 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.456 -16.099 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.877 -14.748 8.605 1.00 0.00 H new ATOM 286 N LEU A 21 1.931 -8.705 9.453 1.00 0.00 N ATOM 287 CA LEU A 21 2.337 -7.319 9.659 1.00 0.00 C ATOM 288 C LEU A 21 1.125 -6.430 9.919 1.00 0.00 C ATOM 289 O LEU A 21 -0.017 -6.883 9.846 1.00 0.00 O ATOM 290 CB LEU A 21 3.108 -6.807 8.442 1.00 0.00 C ATOM 291 CG LEU A 21 4.586 -7.193 8.372 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.139 -6.938 6.978 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.388 -6.426 9.414 1.00 0.00 C ATOM 0 H LEU A 21 1.616 -8.916 8.506 1.00 0.00 H new ATOM 0 HA LEU A 21 2.986 -7.282 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.614 -7.175 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.036 -5.720 8.423 1.00 0.00 H new ATOM 0 HG LEU A 21 4.674 -8.258 8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.192 -7.219 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.584 -7.532 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.038 -5.880 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.437 -6.714 9.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.293 -5.356 9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.009 -6.659 10.409 1.00 0.00 H new ATOM 305 N SER A 22 1.383 -5.162 10.222 1.00 0.00 N ATOM 306 CA SER A 22 0.313 -4.209 10.495 1.00 0.00 C ATOM 307 C SER A 22 0.335 -3.065 9.485 1.00 0.00 C ATOM 308 O SER A 22 1.309 -2.318 9.396 1.00 0.00 O ATOM 309 CB SER A 22 0.446 -3.654 11.914 1.00 0.00 C ATOM 310 OG SER A 22 -0.233 -4.475 12.848 1.00 0.00 O ATOM 0 H SER A 22 2.323 -4.771 10.285 1.00 0.00 H new ATOM 0 HA SER A 22 -0.639 -4.732 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.500 -3.586 12.184 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.041 -2.643 11.952 1.00 0.00 H new ATOM 0 HG SER A 22 -0.132 -4.100 13.748 1.00 0.00 H new ATOM 316 N VAL A 23 -0.748 -2.934 8.725 1.00 0.00 N ATOM 317 CA VAL A 23 -0.856 -1.882 7.722 1.00 0.00 C ATOM 318 C VAL A 23 -1.741 -0.742 8.214 1.00 0.00 C ATOM 319 O VAL A 23 -2.851 -0.967 8.695 1.00 0.00 O ATOM 320 CB VAL A 23 -1.426 -2.424 6.398 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.946 -2.453 6.443 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.934 -1.589 5.225 1.00 0.00 C ATOM 0 H VAL A 23 -1.563 -3.544 8.785 1.00 0.00 H new ATOM 0 HA VAL A 23 0.153 -1.507 7.548 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.072 -3.446 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.331 -2.839 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.274 -3.097 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.325 -1.444 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.346 -1.986 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.257 -0.556 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.155 -1.626 5.183 1.00 0.00 H new ATOM 332 N ASN A 24 -1.242 0.484 8.091 1.00 0.00 N ATOM 333 CA ASN A 24 -1.987 1.660 8.523 1.00 0.00 C ATOM 334 C ASN A 24 -2.104 2.677 7.391 1.00 0.00 C ATOM 335 O ASN A 24 -1.213 2.788 6.548 1.00 0.00 O ATOM 336 CB ASN A 24 -1.308 2.303 9.734 1.00 0.00 C ATOM 337 CG ASN A 24 -1.660 1.606 11.033 1.00 0.00 C ATOM 338 OD1 ASN A 24 -0.825 0.931 11.635 1.00 0.00 O ATOM 339 ND2 ASN A 24 -2.903 1.766 11.472 1.00 0.00 N ATOM 0 H ASN A 24 -0.324 0.688 7.695 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.990 1.340 8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.227 2.281 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.600 3.351 9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.198 1.320 12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.562 2.335 10.941 1.00 0.00 H new ATOM 346 N TYR A 25 -3.207 3.416 7.380 1.00 0.00 N ATOM 347 CA TYR A 25 -3.441 4.423 6.351 1.00 0.00 C ATOM 348 C TYR A 25 -3.828 5.760 6.975 1.00 0.00 C ATOM 349 O TYR A 25 -4.916 5.906 7.532 1.00 0.00 O ATOM 350 CB TYR A 25 -4.540 3.957 5.394 1.00 0.00 C ATOM 351 CG TYR A 25 -4.165 2.732 4.591 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.380 2.838 3.450 1.00 0.00 C ATOM 353 CD2 TYR A 25 -4.596 1.468 4.975 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.036 1.721 2.714 1.00 0.00 C ATOM 355 CE2 TYR A 25 -4.255 0.345 4.246 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.475 0.477 3.116 1.00 0.00 C ATOM 357 OH TYR A 25 -3.133 -0.638 2.386 1.00 0.00 O ATOM 0 H TYR A 25 -3.953 3.337 8.071 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.515 4.558 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.442 3.743 5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.782 4.770 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.033 3.810 3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.208 1.362 5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.426 1.821 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.597 -0.630 4.559 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.521 -1.435 2.804 1.00 0.00 H new ATOM 367 N GLU A 26 -2.928 6.734 6.877 1.00 0.00 N ATOM 368 CA GLU A 26 -3.175 8.059 7.432 1.00 0.00 C ATOM 369 C GLU A 26 -3.860 8.959 6.408 1.00 0.00 C ATOM 370 O GLU A 26 -3.505 8.956 5.229 1.00 0.00 O ATOM 371 CB GLU A 26 -1.861 8.697 7.890 1.00 0.00 C ATOM 372 CG GLU A 26 -2.053 9.923 8.767 1.00 0.00 C ATOM 373 CD GLU A 26 -0.768 10.365 9.441 1.00 0.00 C ATOM 374 OE1 GLU A 26 0.234 10.575 8.726 1.00 0.00 O ATOM 375 OE2 GLU A 26 -0.765 10.501 10.682 1.00 0.00 O ATOM 0 H GLU A 26 -2.023 6.630 6.419 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.836 7.948 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.279 7.956 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.277 8.976 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.441 10.742 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.803 9.707 9.528 1.00 0.00 H new ATOM 382 N GLN A 27 -4.843 9.727 6.867 1.00 0.00 N ATOM 383 CA GLN A 27 -5.579 10.631 5.991 1.00 0.00 C ATOM 384 C GLN A 27 -5.249 12.086 6.309 1.00 0.00 C ATOM 385 O GLN A 27 -5.056 12.449 7.469 1.00 0.00 O ATOM 386 CB GLN A 27 -7.084 10.395 6.128 1.00 0.00 C ATOM 387 CG GLN A 27 -7.930 11.446 5.429 1.00 0.00 C ATOM 388 CD GLN A 27 -9.382 11.411 5.865 1.00 0.00 C ATOM 389 OE1 GLN A 27 -10.279 11.163 5.058 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.621 11.660 7.147 1.00 0.00 N ATOM 0 H GLN A 27 -5.148 9.741 7.840 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.278 10.426 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.328 9.414 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.345 10.375 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.517 12.434 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.874 11.294 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.847 11.861 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.578 11.651 7.498 1.00 0.00 H new ATOM 553 N PHE A 38 -7.277 14.721 -1.464 1.00 0.00 N ATOM 554 CA PHE A 38 -7.255 13.542 -0.606 1.00 0.00 C ATOM 555 C PHE A 38 -5.891 12.859 -0.655 1.00 0.00 C ATOM 556 O PHE A 38 -5.450 12.405 -1.712 1.00 0.00 O ATOM 557 CB PHE A 38 -8.347 12.557 -1.028 1.00 0.00 C ATOM 558 CG PHE A 38 -9.660 12.784 -0.335 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.773 12.614 1.035 1.00 0.00 C ATOM 560 CD2 PHE A 38 -10.780 13.169 -1.054 1.00 0.00 C ATOM 561 CE1 PHE A 38 -10.981 12.822 1.675 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.990 13.379 -0.420 1.00 0.00 C ATOM 563 CZ PHE A 38 -12.090 13.206 0.947 1.00 0.00 C ATOM 0 HA PHE A 38 -7.443 13.865 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.496 12.632 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.008 11.542 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.908 12.316 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.707 13.307 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.057 12.684 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.856 13.678 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.034 13.371 1.445 1.00 0.00 H new ATOM 573 N ILE A 39 -5.229 12.790 0.495 1.00 0.00 N ATOM 574 CA ILE A 39 -3.917 12.162 0.584 1.00 0.00 C ATOM 575 C ILE A 39 -3.920 11.022 1.596 1.00 0.00 C ATOM 576 O ILE A 39 -4.334 11.198 2.743 1.00 0.00 O ATOM 577 CB ILE A 39 -2.831 13.181 0.978 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.776 14.321 -0.041 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.477 12.496 1.087 1.00 0.00 C ATOM 580 CD1 ILE A 39 -2.015 15.533 0.449 1.00 0.00 C ATOM 0 H ILE A 39 -5.580 13.161 1.378 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.690 11.765 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.084 13.601 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.312 13.956 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.793 14.619 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.720 13.229 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.524 11.716 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.216 12.052 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.017 16.301 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.492 15.923 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.987 15.250 0.677 1.00 0.00 H new ATOM 592 N CYS A 40 -3.455 9.855 1.166 1.00 0.00 N ATOM 593 CA CYS A 40 -3.403 8.685 2.035 1.00 0.00 C ATOM 594 C CYS A 40 -1.986 8.125 2.109 1.00 0.00 C ATOM 595 O CYS A 40 -1.377 7.808 1.087 1.00 0.00 O ATOM 596 CB CYS A 40 -4.365 7.607 1.533 1.00 0.00 C ATOM 597 SG CYS A 40 -5.033 6.548 2.837 1.00 0.00 S ATOM 0 H CYS A 40 -3.108 9.693 0.220 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.705 8.993 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.192 8.088 1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.847 6.984 0.804 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.837 5.670 2.314 1.00 0.00 H new ATOM 603 N LYS A 41 -1.465 8.006 3.326 1.00 0.00 N ATOM 604 CA LYS A 41 -0.119 7.485 3.535 1.00 0.00 C ATOM 605 C LYS A 41 -0.166 6.069 4.101 1.00 0.00 C ATOM 606 O LYS A 41 -0.853 5.808 5.089 1.00 0.00 O ATOM 607 CB LYS A 41 0.662 8.398 4.482 1.00 0.00 C ATOM 608 CG LYS A 41 0.601 9.867 4.099 1.00 0.00 C ATOM 609 CD LYS A 41 1.829 10.620 4.581 1.00 0.00 C ATOM 610 CE LYS A 41 1.895 12.018 3.984 1.00 0.00 C ATOM 611 NZ LYS A 41 1.051 12.984 4.740 1.00 0.00 N ATOM 0 H LYS A 41 -1.955 8.263 4.183 1.00 0.00 H new ATOM 0 HA LYS A 41 0.386 7.455 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.272 8.278 5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.704 8.080 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.519 9.958 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.295 10.318 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.812 10.688 5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.727 10.065 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.929 12.363 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.567 11.985 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.123 13.925 4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.060 12.668 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.379 13.035 5.725 1.00 0.00 H new ATOM 625 N CYS A 42 0.568 5.160 3.469 1.00 0.00 N ATOM 626 CA CYS A 42 0.611 3.771 3.911 1.00 0.00 C ATOM 627 C CYS A 42 1.831 3.516 4.789 1.00 0.00 C ATOM 628 O CYS A 42 2.970 3.687 4.354 1.00 0.00 O ATOM 629 CB CYS A 42 0.632 2.831 2.704 1.00 0.00 C ATOM 630 SG CYS A 42 1.942 3.190 1.511 1.00 0.00 S ATOM 0 H CYS A 42 1.141 5.360 2.649 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.285 3.576 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.748 1.806 3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.331 2.886 2.197 1.00 0.00 H new ATOM 0 HG CYS A 42 1.777 2.456 0.451 1.00 0.00 H new ATOM 636 N LYS A 43 1.586 3.109 6.030 1.00 0.00 N ATOM 637 CA LYS A 43 2.664 2.831 6.972 1.00 0.00 C ATOM 638 C LYS A 43 2.576 1.400 7.493 1.00 0.00 C ATOM 639 O LYS A 43 1.487 0.898 7.773 1.00 0.00 O ATOM 640 CB LYS A 43 2.612 3.816 8.143 1.00 0.00 C ATOM 641 CG LYS A 43 3.412 5.085 7.905 1.00 0.00 C ATOM 642 CD LYS A 43 2.960 6.209 8.822 1.00 0.00 C ATOM 643 CE LYS A 43 1.611 6.767 8.396 1.00 0.00 C ATOM 644 NZ LYS A 43 1.298 8.050 9.085 1.00 0.00 N ATOM 0 H LYS A 43 0.649 2.964 6.407 1.00 0.00 H new ATOM 0 HA LYS A 43 3.612 2.950 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.573 4.082 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.987 3.322 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.471 4.885 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.303 5.396 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.896 5.841 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.703 7.006 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.607 6.924 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.831 6.038 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.572 7.886 9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.159 8.422 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.944 8.739 8.391 1.00 0.00 H new ATOM 658 N ILE A 44 3.727 0.750 7.622 1.00 0.00 N ATOM 659 CA ILE A 44 3.779 -0.621 8.112 1.00 0.00 C ATOM 660 C ILE A 44 4.645 -0.726 9.363 1.00 0.00 C ATOM 661 O ILE A 44 5.872 -0.666 9.289 1.00 0.00 O ATOM 662 CB ILE A 44 4.328 -1.582 7.041 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.773 -1.214 5.663 1.00 0.00 C ATOM 664 CG2 ILE A 44 3.979 -3.021 7.391 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.344 -1.659 5.448 1.00 0.00 C ATOM 0 H ILE A 44 4.637 1.151 7.394 1.00 0.00 H new ATOM 0 HA ILE A 44 2.756 -0.907 8.356 1.00 0.00 H new ATOM 0 HB ILE A 44 5.414 -1.489 7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.832 -0.133 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.404 -1.662 4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.374 -3.688 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.417 -3.277 8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.896 -3.130 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.017 -1.365 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.282 -2.743 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.701 -1.191 6.193 1.00 0.00 H new ATOM 677 N GLY A 45 3.997 -0.884 10.514 1.00 0.00 N ATOM 678 CA GLY A 45 4.723 -0.996 11.765 1.00 0.00 C ATOM 679 C GLY A 45 5.445 0.285 12.133 1.00 0.00 C ATOM 680 O GLY A 45 6.674 0.319 12.184 1.00 0.00 O ATOM 0 H GLY A 45 2.982 -0.936 10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.028 -1.260 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.446 -1.808 11.691 1.00 0.00 H new ATOM 684 N GLN A 46 4.680 1.341 12.388 1.00 0.00 N ATOM 685 CA GLN A 46 5.255 2.631 12.751 1.00 0.00 C ATOM 686 C GLN A 46 6.392 3.005 11.806 1.00 0.00 C ATOM 687 O GLN A 46 7.287 3.771 12.166 1.00 0.00 O ATOM 688 CB GLN A 46 5.765 2.599 14.193 1.00 0.00 C ATOM 689 CG GLN A 46 6.998 1.731 14.384 1.00 0.00 C ATOM 690 CD GLN A 46 7.693 1.986 15.706 1.00 0.00 C ATOM 691 OE1 GLN A 46 7.638 3.091 16.246 1.00 0.00 O ATOM 692 NE2 GLN A 46 8.353 0.963 16.236 1.00 0.00 N ATOM 0 H GLN A 46 3.661 1.329 12.350 1.00 0.00 H new ATOM 0 HA GLN A 46 4.473 3.385 12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.994 3.616 14.511 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.970 2.234 14.843 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.711 0.681 14.326 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.697 1.916 13.569 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.373 0.064 15.754 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.840 1.076 17.125 1.00 0.00 H new ATOM 701 N THR A 47 6.353 2.459 10.595 1.00 0.00 N ATOM 702 CA THR A 47 7.380 2.733 9.598 1.00 0.00 C ATOM 703 C THR A 47 6.765 3.248 8.302 1.00 0.00 C ATOM 704 O THR A 47 5.707 2.784 7.879 1.00 0.00 O ATOM 705 CB THR A 47 8.217 1.476 9.293 1.00 0.00 C ATOM 706 OG1 THR A 47 8.851 1.008 10.487 1.00 0.00 O ATOM 707 CG2 THR A 47 9.270 1.771 8.235 1.00 0.00 C ATOM 0 H THR A 47 5.620 1.823 10.281 1.00 0.00 H new ATOM 0 HA THR A 47 8.031 3.500 10.017 1.00 0.00 H new ATOM 0 HB THR A 47 7.548 0.704 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.168 0.746 11.139 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.849 0.869 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.782 2.099 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.935 2.557 8.593 1.00 0.00 H new ATOM 715 N MET A 48 7.436 4.210 7.676 1.00 0.00 N ATOM 716 CA MET A 48 6.955 4.787 6.426 1.00 0.00 C ATOM 717 C MET A 48 7.328 3.902 5.240 1.00 0.00 C ATOM 718 O MET A 48 8.498 3.576 5.041 1.00 0.00 O ATOM 719 CB MET A 48 7.531 6.190 6.231 1.00 0.00 C ATOM 720 CG MET A 48 7.003 6.899 4.994 1.00 0.00 C ATOM 721 SD MET A 48 7.936 6.487 3.507 1.00 0.00 S ATOM 722 CE MET A 48 6.930 7.270 2.249 1.00 0.00 C ATOM 0 H MET A 48 8.313 4.606 8.014 1.00 0.00 H new ATOM 0 HA MET A 48 5.868 4.853 6.480 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.303 6.793 7.110 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.617 6.122 6.165 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.956 6.634 4.847 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.039 7.977 5.154 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.378 7.104 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.927 6.843 2.267 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.872 8.341 2.444 1.00 0.00 H new ATOM 732 N TYR A 49 6.327 3.518 4.457 1.00 0.00 N ATOM 733 CA TYR A 49 6.550 2.669 3.292 1.00 0.00 C ATOM 734 C TYR A 49 6.206 3.410 2.004 1.00 0.00 C ATOM 735 O TYR A 49 7.059 3.606 1.140 1.00 0.00 O ATOM 736 CB TYR A 49 5.714 1.392 3.398 1.00 0.00 C ATOM 737 CG TYR A 49 6.382 0.296 4.198 1.00 0.00 C ATOM 738 CD1 TYR A 49 6.998 0.572 5.412 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.397 -1.015 3.738 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.610 -0.426 6.146 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.005 -2.020 4.466 1.00 0.00 C ATOM 742 CZ TYR A 49 7.610 -1.720 5.669 1.00 0.00 C ATOM 743 OH TYR A 49 8.219 -2.717 6.396 1.00 0.00 O ATOM 0 H TYR A 49 5.353 3.781 4.607 1.00 0.00 H new ATOM 0 HA TYR A 49 7.607 2.403 3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.755 1.633 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.503 1.021 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.999 1.584 5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.926 -1.253 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.085 -0.194 7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.007 -3.034 4.095 1.00 0.00 H new ATOM 0 HH TYR A 49 8.129 -3.570 5.922 1.00 0.00 H new ATOM 753 N GLY A 50 4.947 3.821 1.883 1.00 0.00 N ATOM 754 CA GLY A 50 4.511 4.536 0.698 1.00 0.00 C ATOM 755 C GLY A 50 3.538 5.653 1.020 1.00 0.00 C ATOM 756 O GLY A 50 3.001 5.720 2.127 1.00 0.00 O ATOM 0 H GLY A 50 4.222 3.671 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.380 4.951 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.040 3.836 0.008 1.00 0.00 H new ATOM 760 N THR A 51 3.311 6.536 0.053 1.00 0.00 N ATOM 761 CA THR A 51 2.399 7.657 0.240 1.00 0.00 C ATOM 762 C THR A 51 1.635 7.964 -1.043 1.00 0.00 C ATOM 763 O THR A 51 2.220 8.387 -2.040 1.00 0.00 O ATOM 764 CB THR A 51 3.151 8.923 0.691 1.00 0.00 C ATOM 765 OG1 THR A 51 3.865 8.663 1.905 1.00 0.00 O ATOM 766 CG2 THR A 51 2.185 10.079 0.904 1.00 0.00 C ATOM 0 H THR A 51 3.747 6.496 -0.868 1.00 0.00 H new ATOM 0 HA THR A 51 1.694 7.365 1.018 1.00 0.00 H new ATOM 0 HB THR A 51 3.856 9.198 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.342 9.473 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.739 10.962 1.222 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.664 10.294 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.459 9.810 1.671 1.00 0.00 H new ATOM 774 N GLY A 52 0.323 7.750 -1.011 1.00 0.00 N ATOM 775 CA GLY A 52 -0.500 8.010 -2.178 1.00 0.00 C ATOM 776 C GLY A 52 -1.278 9.305 -2.062 1.00 0.00 C ATOM 777 O GLY A 52 -1.694 9.691 -0.969 1.00 0.00 O ATOM 0 H GLY A 52 -0.185 7.401 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.134 8.049 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.196 7.183 -2.319 1.00 0.00 H new ATOM 781 N SER A 53 -1.475 9.979 -3.190 1.00 0.00 N ATOM 782 CA SER A 53 -2.204 11.242 -3.209 1.00 0.00 C ATOM 783 C SER A 53 -3.096 11.335 -4.443 1.00 0.00 C ATOM 784 O SER A 53 -2.622 11.245 -5.575 1.00 0.00 O ATOM 785 CB SER A 53 -1.227 12.419 -3.182 1.00 0.00 C ATOM 786 OG SER A 53 -0.241 12.288 -4.191 1.00 0.00 O ATOM 0 H SER A 53 -1.140 9.672 -4.103 1.00 0.00 H new ATOM 0 HA SER A 53 -2.835 11.283 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.773 13.352 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.747 12.474 -2.205 1.00 0.00 H new ATOM 0 HG SER A 53 -0.631 11.847 -4.974 1.00 0.00 H new ATOM 792 N GLY A 54 -4.394 11.517 -4.215 1.00 0.00 N ATOM 793 CA GLY A 54 -5.333 11.620 -5.317 1.00 0.00 C ATOM 794 C GLY A 54 -6.523 12.497 -4.983 1.00 0.00 C ATOM 795 O GLY A 54 -6.604 13.058 -3.890 1.00 0.00 O ATOM 0 H GLY A 54 -4.811 11.595 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.821 12.024 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.684 10.624 -5.586 1.00 0.00 H new ATOM 799 N VAL A 55 -7.450 12.619 -5.929 1.00 0.00 N ATOM 800 CA VAL A 55 -8.642 13.435 -5.730 1.00 0.00 C ATOM 801 C VAL A 55 -9.684 12.693 -4.901 1.00 0.00 C ATOM 802 O VAL A 55 -10.595 13.301 -4.338 1.00 0.00 O ATOM 803 CB VAL A 55 -9.271 13.846 -7.075 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.266 14.612 -7.922 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.784 12.623 -7.819 1.00 0.00 C ATOM 0 H VAL A 55 -7.398 12.163 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.327 14.331 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.118 14.503 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.728 14.894 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.951 15.510 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.398 13.982 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.225 12.932 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.957 11.939 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.539 12.120 -7.215 1.00 0.00 H new ATOM 815 N THR A 56 -9.545 11.372 -4.828 1.00 0.00 N ATOM 816 CA THR A 56 -10.474 10.546 -4.068 1.00 0.00 C ATOM 817 C THR A 56 -9.729 9.562 -3.174 1.00 0.00 C ATOM 818 O THR A 56 -8.703 9.005 -3.565 1.00 0.00 O ATOM 819 CB THR A 56 -11.420 9.763 -4.998 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.731 10.549 -6.154 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.703 9.388 -4.273 1.00 0.00 C ATOM 0 H THR A 56 -8.797 10.852 -5.287 1.00 0.00 H new ATOM 0 HA THR A 56 -11.064 11.222 -3.448 1.00 0.00 H new ATOM 0 HB THR A 56 -10.915 8.847 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.331 10.044 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.355 8.836 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.465 8.766 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.210 10.293 -3.939 1.00 0.00 H new ATOM 829 N LYS A 57 -10.253 9.349 -1.971 1.00 0.00 N ATOM 830 CA LYS A 57 -9.639 8.430 -1.021 1.00 0.00 C ATOM 831 C LYS A 57 -9.181 7.152 -1.717 1.00 0.00 C ATOM 832 O LYS A 57 -8.069 6.677 -1.492 1.00 0.00 O ATOM 833 CB LYS A 57 -10.625 8.088 0.099 1.00 0.00 C ATOM 834 CG LYS A 57 -10.809 9.206 1.110 1.00 0.00 C ATOM 835 CD LYS A 57 -9.642 9.279 2.079 1.00 0.00 C ATOM 836 CE LYS A 57 -9.626 8.087 3.024 1.00 0.00 C ATOM 837 NZ LYS A 57 -8.962 8.412 4.317 1.00 0.00 N ATOM 0 H LYS A 57 -11.102 9.801 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.766 8.921 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.592 7.845 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.277 7.194 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.909 10.157 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.734 9.048 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.706 9.315 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.704 10.201 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.648 7.760 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.108 7.254 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.652 7.533 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.137 9.020 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.633 8.910 4.936 1.00 0.00 H new ATOM 851 N GLN A 58 -10.046 6.603 -2.565 1.00 0.00 N ATOM 852 CA GLN A 58 -9.728 5.382 -3.294 1.00 0.00 C ATOM 853 C GLN A 58 -8.496 5.576 -4.172 1.00 0.00 C ATOM 854 O GLN A 58 -7.589 4.744 -4.177 1.00 0.00 O ATOM 855 CB GLN A 58 -10.919 4.952 -4.154 1.00 0.00 C ATOM 856 CG GLN A 58 -10.769 3.561 -4.749 1.00 0.00 C ATOM 857 CD GLN A 58 -11.179 2.466 -3.784 1.00 0.00 C ATOM 858 OE1 GLN A 58 -10.317 2.175 -2.817 1.00 0.00 O flip ATOM 859 NE2 GLN A 58 -12.259 1.888 -3.907 1.00 0.00 N flip ATOM 0 H GLN A 58 -10.971 6.985 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.513 4.600 -2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.824 4.983 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.052 5.671 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.375 3.489 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.732 3.408 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.891 2.144 -4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.522 1.153 -3.250 1.00 0.00 H new ATOM 868 N GLU A 59 -8.472 6.679 -4.913 1.00 0.00 N ATOM 869 CA GLU A 59 -7.351 6.981 -5.795 1.00 0.00 C ATOM 870 C GLU A 59 -6.034 6.977 -5.024 1.00 0.00 C ATOM 871 O GLU A 59 -5.055 6.365 -5.449 1.00 0.00 O ATOM 872 CB GLU A 59 -7.555 8.340 -6.470 1.00 0.00 C ATOM 873 CG GLU A 59 -6.745 8.515 -7.743 1.00 0.00 C ATOM 874 CD GLU A 59 -7.264 7.664 -8.886 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.222 6.421 -8.766 1.00 0.00 O ATOM 876 OE2 GLU A 59 -7.711 8.239 -9.900 1.00 0.00 O ATOM 0 H GLU A 59 -9.215 7.378 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.306 6.206 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.613 8.466 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.287 9.129 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.762 9.564 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.705 8.257 -7.546 1.00 0.00 H new ATOM 883 N ALA A 60 -6.019 7.665 -3.887 1.00 0.00 N ATOM 884 CA ALA A 60 -4.825 7.740 -3.055 1.00 0.00 C ATOM 885 C ALA A 60 -4.525 6.395 -2.402 1.00 0.00 C ATOM 886 O ALA A 60 -3.565 5.717 -2.767 1.00 0.00 O ATOM 887 CB ALA A 60 -4.988 8.819 -1.994 1.00 0.00 C ATOM 0 H ALA A 60 -6.821 8.178 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.982 7.999 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.089 8.864 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.146 9.783 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.846 8.584 -1.364 1.00 0.00 H new ATOM 893 N LYS A 61 -5.353 6.015 -1.435 1.00 0.00 N ATOM 894 CA LYS A 61 -5.178 4.750 -0.731 1.00 0.00 C ATOM 895 C LYS A 61 -4.636 3.676 -1.669 1.00 0.00 C ATOM 896 O LYS A 61 -3.701 2.954 -1.325 1.00 0.00 O ATOM 897 CB LYS A 61 -6.506 4.291 -0.126 1.00 0.00 C ATOM 898 CG LYS A 61 -6.374 3.087 0.790 1.00 0.00 C ATOM 899 CD LYS A 61 -7.690 2.759 1.475 1.00 0.00 C ATOM 900 CE LYS A 61 -8.585 1.910 0.585 1.00 0.00 C ATOM 901 NZ LYS A 61 -8.345 0.454 0.785 1.00 0.00 N ATOM 0 H LYS A 61 -6.152 6.565 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.456 4.906 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.945 5.117 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.198 4.049 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.039 2.225 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.610 3.284 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.494 2.229 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.206 3.683 1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.630 2.138 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.408 2.167 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.974 -0.090 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.355 0.231 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.539 0.203 1.776 1.00 0.00 H new ATOM 915 N GLN A 62 -5.229 3.577 -2.854 1.00 0.00 N ATOM 916 CA GLN A 62 -4.805 2.592 -3.841 1.00 0.00 C ATOM 917 C GLN A 62 -3.327 2.761 -4.179 1.00 0.00 C ATOM 918 O GLN A 62 -2.492 1.944 -3.788 1.00 0.00 O ATOM 919 CB GLN A 62 -5.648 2.714 -5.111 1.00 0.00 C ATOM 920 CG GLN A 62 -6.945 1.923 -5.059 1.00 0.00 C ATOM 921 CD GLN A 62 -7.555 1.711 -6.431 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.737 1.981 -6.646 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.750 1.224 -7.368 1.00 0.00 N ATOM 0 H GLN A 62 -6.005 4.167 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.950 1.601 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.880 3.765 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.059 2.374 -5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.757 0.954 -4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.660 2.447 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.777 1.014 -7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.105 1.060 -8.310 1.00 0.00 H new ATOM 932 N LEU A 63 -3.011 3.826 -4.908 1.00 0.00 N ATOM 933 CA LEU A 63 -1.633 4.103 -5.299 1.00 0.00 C ATOM 934 C LEU A 63 -0.668 3.775 -4.165 1.00 0.00 C ATOM 935 O LEU A 63 0.289 3.024 -4.349 1.00 0.00 O ATOM 936 CB LEU A 63 -1.483 5.571 -5.704 1.00 0.00 C ATOM 937 CG LEU A 63 -2.300 6.020 -6.916 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.649 7.496 -6.806 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.538 5.744 -8.204 1.00 0.00 C ATOM 0 H LEU A 63 -3.690 4.511 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.389 3.470 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.762 6.192 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.430 5.765 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.228 5.449 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.230 7.798 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.235 7.665 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.732 8.084 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.134 6.070 -9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.594 6.289 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.339 4.676 -8.287 1.00 0.00 H new ATOM 951 N ALA A 64 -0.929 4.341 -2.991 1.00 0.00 N ATOM 952 CA ALA A 64 -0.086 4.105 -1.825 1.00 0.00 C ATOM 953 C ALA A 64 0.452 2.678 -1.816 1.00 0.00 C ATOM 954 O ALA A 64 1.663 2.461 -1.804 1.00 0.00 O ATOM 955 CB ALA A 64 -0.862 4.387 -0.547 1.00 0.00 C ATOM 0 H ALA A 64 -1.717 4.966 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 64 0.764 4.785 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.220 4.207 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.192 5.426 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.731 3.731 -0.496 1.00 0.00 H new ATOM 961 N ALA A 65 -0.456 1.708 -1.822 1.00 0.00 N ATOM 962 CA ALA A 65 -0.073 0.302 -1.816 1.00 0.00 C ATOM 963 C ALA A 65 1.034 0.031 -2.829 1.00 0.00 C ATOM 964 O ALA A 65 2.078 -0.527 -2.489 1.00 0.00 O ATOM 965 CB ALA A 65 -1.281 -0.576 -2.104 1.00 0.00 C ATOM 0 H ALA A 65 -1.463 1.870 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 65 0.310 0.060 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.980 -1.623 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.041 -0.411 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.690 -0.323 -3.082 1.00 0.00 H new ATOM 971 N LYS A 66 0.799 0.427 -4.075 1.00 0.00 N ATOM 972 CA LYS A 66 1.776 0.228 -5.139 1.00 0.00 C ATOM 973 C LYS A 66 3.180 0.586 -4.663 1.00 0.00 C ATOM 974 O LYS A 66 4.123 -0.183 -4.846 1.00 0.00 O ATOM 975 CB LYS A 66 1.410 1.073 -6.361 1.00 0.00 C ATOM 976 CG LYS A 66 2.339 0.865 -7.545 1.00 0.00 C ATOM 977 CD LYS A 66 1.860 1.626 -8.770 1.00 0.00 C ATOM 978 CE LYS A 66 2.586 1.172 -10.027 1.00 0.00 C ATOM 979 NZ LYS A 66 2.447 2.158 -11.134 1.00 0.00 N ATOM 0 H LYS A 66 -0.061 0.888 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 66 1.763 -0.826 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.390 0.836 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.422 2.126 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.344 1.193 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.401 -0.198 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.787 1.479 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.020 2.694 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.642 1.024 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.190 0.208 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.955 1.812 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.441 2.281 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.848 3.071 -10.838 1.00 0.00 H new ATOM 993 N GLU A 67 3.311 1.759 -4.050 1.00 0.00 N ATOM 994 CA GLU A 67 4.601 2.218 -3.547 1.00 0.00 C ATOM 995 C GLU A 67 5.119 1.290 -2.451 1.00 0.00 C ATOM 996 O GLU A 67 6.227 0.763 -2.543 1.00 0.00 O ATOM 997 CB GLU A 67 4.485 3.645 -3.009 1.00 0.00 C ATOM 998 CG GLU A 67 4.734 4.714 -4.061 1.00 0.00 C ATOM 999 CD GLU A 67 3.970 5.994 -3.784 1.00 0.00 C ATOM 1000 OE1 GLU A 67 2.809 6.101 -4.231 1.00 0.00 O ATOM 1001 OE2 GLU A 67 4.534 6.889 -3.120 1.00 0.00 O ATOM 0 H GLU A 67 2.540 2.408 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 67 5.310 2.206 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.489 3.786 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.197 3.776 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.801 4.934 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.448 4.329 -5.040 1.00 0.00 H new ATOM 1008 N ALA A 68 4.308 1.098 -1.416 1.00 0.00 N ATOM 1009 CA ALA A 68 4.683 0.234 -0.303 1.00 0.00 C ATOM 1010 C ALA A 68 5.224 -1.102 -0.803 1.00 0.00 C ATOM 1011 O ALA A 68 6.220 -1.611 -0.288 1.00 0.00 O ATOM 1012 CB ALA A 68 3.492 0.011 0.617 1.00 0.00 C ATOM 0 H ALA A 68 3.388 1.529 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 68 5.474 0.730 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.787 -0.636 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.151 0.969 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.684 -0.460 0.058 1.00 0.00 H new ATOM 1018 N TYR A 69 4.562 -1.664 -1.808 1.00 0.00 N ATOM 1019 CA TYR A 69 4.975 -2.942 -2.375 1.00 0.00 C ATOM 1020 C TYR A 69 6.430 -2.890 -2.834 1.00 0.00 C ATOM 1021 O TYR A 69 7.272 -3.643 -2.347 1.00 0.00 O ATOM 1022 CB TYR A 69 4.072 -3.318 -3.550 1.00 0.00 C ATOM 1023 CG TYR A 69 4.266 -4.738 -4.034 1.00 0.00 C ATOM 1024 CD1 TYR A 69 4.027 -5.818 -3.193 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.690 -4.999 -5.331 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.205 -7.116 -3.630 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.869 -6.294 -5.777 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.625 -7.349 -4.923 1.00 0.00 C ATOM 1029 OH TYR A 69 4.803 -8.641 -5.363 1.00 0.00 O ATOM 0 H TYR A 69 3.737 -1.255 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 69 4.885 -3.701 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.031 -3.183 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.261 -2.633 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.696 -5.639 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.883 -4.175 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.016 -7.944 -2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.198 -6.479 -6.789 1.00 0.00 H new ATOM 0 HH TYR A 69 5.100 -8.631 -6.297 1.00 0.00 H new ATOM 1039 N GLN A 70 6.715 -1.994 -3.774 1.00 0.00 N ATOM 1040 CA GLN A 70 8.067 -1.843 -4.298 1.00 0.00 C ATOM 1041 C GLN A 70 9.099 -1.942 -3.180 1.00 0.00 C ATOM 1042 O GLN A 70 10.023 -2.754 -3.243 1.00 0.00 O ATOM 1043 CB GLN A 70 8.209 -0.503 -5.023 1.00 0.00 C ATOM 1044 CG GLN A 70 7.506 -0.463 -6.370 1.00 0.00 C ATOM 1045 CD GLN A 70 8.075 0.597 -7.293 1.00 0.00 C ATOM 1046 OE1 GLN A 70 8.969 1.353 -6.913 1.00 0.00 O ATOM 1047 NE2 GLN A 70 7.559 0.656 -8.516 1.00 0.00 N ATOM 0 H GLN A 70 6.029 -1.363 -4.187 1.00 0.00 H new ATOM 0 HA GLN A 70 8.247 -2.652 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.808 0.288 -4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.268 -0.288 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.589 -1.439 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.444 -0.273 -6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.819 0.009 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.903 1.348 -9.182 1.00 0.00 H new ATOM 1056 N LYS A 71 8.938 -1.109 -2.157 1.00 0.00 N ATOM 1057 CA LYS A 71 9.855 -1.103 -1.024 1.00 0.00 C ATOM 1058 C LYS A 71 10.022 -2.506 -0.451 1.00 0.00 C ATOM 1059 O LYS A 71 11.142 -2.992 -0.286 1.00 0.00 O ATOM 1060 CB LYS A 71 9.346 -0.153 0.064 1.00 0.00 C ATOM 1061 CG LYS A 71 10.177 -0.185 1.335 1.00 0.00 C ATOM 1062 CD LYS A 71 9.769 0.920 2.295 1.00 0.00 C ATOM 1063 CE LYS A 71 10.563 2.193 2.050 1.00 0.00 C ATOM 1064 NZ LYS A 71 11.942 2.103 2.606 1.00 0.00 N ATOM 0 H LYS A 71 8.181 -0.429 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 71 10.827 -0.756 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.336 0.864 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.315 -0.411 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.061 -1.153 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.232 -0.079 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.705 1.127 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.922 0.586 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.615 2.388 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.044 3.038 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.422 3.019 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.894 1.859 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.474 1.369 2.097 1.00 0.00 H new ATOM 1078 N LEU A 72 8.902 -3.154 -0.149 1.00 0.00 N ATOM 1079 CA LEU A 72 8.924 -4.504 0.404 1.00 0.00 C ATOM 1080 C LEU A 72 9.828 -5.416 -0.420 1.00 0.00 C ATOM 1081 O LEU A 72 10.658 -6.144 0.126 1.00 0.00 O ATOM 1082 CB LEU A 72 7.508 -5.080 0.453 1.00 0.00 C ATOM 1083 CG LEU A 72 6.723 -4.823 1.740 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.259 -5.191 1.555 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.329 -5.602 2.899 1.00 0.00 C ATOM 0 H LEU A 72 7.967 -2.766 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 72 9.322 -4.448 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.941 -4.670 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.570 -6.157 0.298 1.00 0.00 H new ATOM 0 HG LEU A 72 6.782 -3.760 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.716 -5.001 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.831 -4.589 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.179 -6.247 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.758 -5.407 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.301 -6.668 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.363 -5.289 3.047 1.00 0.00 H new ATOM 1097 N LEU A 73 9.663 -5.369 -1.737 1.00 0.00 N ATOM 1098 CA LEU A 73 10.466 -6.189 -2.638 1.00 0.00 C ATOM 1099 C LEU A 73 11.955 -5.945 -2.416 1.00 0.00 C ATOM 1100 O LEU A 73 12.770 -6.859 -2.541 1.00 0.00 O ATOM 1101 CB LEU A 73 10.100 -5.891 -4.093 1.00 0.00 C ATOM 1102 CG LEU A 73 8.607 -5.755 -4.396 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.368 -5.716 -5.897 1.00 0.00 C ATOM 1104 CD2 LEU A 73 7.827 -6.895 -3.758 1.00 0.00 C ATOM 0 H LEU A 73 8.981 -4.772 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 73 10.253 -7.236 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.596 -4.967 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.506 -6.686 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 73 8.253 -4.817 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.300 -5.619 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.895 -4.864 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.738 -6.637 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.767 -6.782 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.183 -7.846 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.972 -6.875 -2.678 1.00 0.00 H new ATOM 1116 N LYS A 74 12.303 -4.707 -2.083 1.00 0.00 N ATOM 1117 CA LYS A 74 13.693 -4.342 -1.839 1.00 0.00 C ATOM 1118 C LYS A 74 14.140 -4.797 -0.453 1.00 0.00 C ATOM 1119 O LYS A 74 15.113 -5.540 -0.318 1.00 0.00 O ATOM 1120 CB LYS A 74 13.875 -2.828 -1.973 1.00 0.00 C ATOM 1121 CG LYS A 74 13.726 -2.321 -3.397 1.00 0.00 C ATOM 1122 CD LYS A 74 14.972 -2.600 -4.221 1.00 0.00 C ATOM 1123 CE LYS A 74 15.141 -1.582 -5.338 1.00 0.00 C ATOM 1124 NZ LYS A 74 16.080 -2.062 -6.389 1.00 0.00 N ATOM 0 H LYS A 74 11.641 -3.939 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 74 14.310 -4.844 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.145 -2.325 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.862 -2.555 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.865 -2.797 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.530 -1.249 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.849 -2.581 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.911 -3.602 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.170 -1.371 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.510 -0.645 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.168 -1.340 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.013 -2.239 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.715 -2.943 -6.804 1.00 0.00 H new