USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 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: B 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.0618 USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.671 USER MOD Single : A 15 ASN : amide:sc= -0.872 K(o=-0.87,f=-3.8!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.185 K(o=-0.18,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.32) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.898! C(o=-0.9!,f=-4.8!) USER MOD Single : B 16 THR OG1 : rot 41:sc= 0.806 USER MOD Single : B 20 GLN :FLIP amide:sc= -1.09 F(o=-2!,f=-1.1) USER MOD Single : B 21 LYS NZ :NH3+ 146:sc= -1.21 (180deg=-3.59!) USER MOD Single : B 23 HIS :FLIP no HD1:sc= -0.628 F(o=-2.3!,f=-0.63) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 18.272 8.053 -17.495 1.00 0.00 N ATOM 70 CA PHE A 6 19.041 6.925 -16.995 1.00 0.00 C ATOM 71 C PHE A 6 18.120 5.773 -16.587 1.00 0.00 C ATOM 72 O PHE A 6 16.901 5.876 -16.706 1.00 0.00 O ATOM 73 CB PHE A 6 19.802 7.416 -15.762 1.00 0.00 C ATOM 74 CG PHE A 6 20.860 8.478 -16.063 1.00 0.00 C ATOM 75 CD1 PHE A 6 22.077 8.108 -16.547 1.00 0.00 C ATOM 76 CD2 PHE A 6 20.584 9.793 -15.851 1.00 0.00 C ATOM 77 CE1 PHE A 6 23.059 9.094 -16.828 1.00 0.00 C ATOM 78 CE2 PHE A 6 21.566 10.779 -16.132 1.00 0.00 C ATOM 79 CZ PHE A 6 22.783 10.409 -16.615 1.00 0.00 C ATOM 0 HA PHE A 6 19.715 6.559 -17.770 1.00 0.00 H new ATOM 0 HB2 PHE A 6 19.088 7.823 -15.046 1.00 0.00 H new ATOM 0 HB3 PHE A 6 20.284 6.564 -15.283 1.00 0.00 H new ATOM 0 HD1 PHE A 6 22.296 7.064 -16.717 1.00 0.00 H new ATOM 0 HD2 PHE A 6 19.618 10.087 -15.469 1.00 0.00 H new ATOM 0 HE1 PHE A 6 24.025 8.800 -17.211 1.00 0.00 H new ATOM 0 HE2 PHE A 6 21.347 11.823 -15.962 1.00 0.00 H new ATOM 0 HZ PHE A 6 23.530 11.159 -16.829 1.00 0.00 H new ATOM 88 N THR A 7 18.740 4.701 -16.115 1.00 0.00 N ATOM 89 CA THR A 7 17.993 3.531 -15.689 1.00 0.00 C ATOM 90 C THR A 7 18.092 3.358 -14.172 1.00 0.00 C ATOM 91 O THR A 7 19.186 3.211 -13.630 1.00 0.00 O ATOM 92 CB THR A 7 18.515 2.325 -16.473 1.00 0.00 C ATOM 93 OG1 THR A 7 17.709 1.241 -16.019 1.00 0.00 O ATOM 94 CG2 THR A 7 19.934 1.931 -16.065 1.00 0.00 C ATOM 0 H THR A 7 19.752 4.619 -16.018 1.00 0.00 H new ATOM 0 HA THR A 7 16.930 3.641 -15.904 1.00 0.00 H new ATOM 0 HB THR A 7 18.494 2.549 -17.540 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.160 0.393 -16.215 1.00 0.00 H new ATOM 0 HG21 THR A 7 20.256 1.070 -16.652 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.610 2.767 -16.246 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.950 1.675 -15.006 1.00 0.00 H new ATOM 102 N VAL A 8 16.933 3.380 -13.530 1.00 0.00 N ATOM 103 CA VAL A 8 16.876 3.226 -12.085 1.00 0.00 C ATOM 104 C VAL A 8 15.861 2.137 -11.733 1.00 0.00 C ATOM 105 O VAL A 8 14.801 2.048 -12.350 1.00 0.00 O ATOM 106 CB VAL A 8 16.560 4.572 -11.428 1.00 0.00 C ATOM 107 CG1 VAL A 8 16.224 4.394 -9.947 1.00 0.00 C ATOM 108 CG2 VAL A 8 17.716 5.557 -11.614 1.00 0.00 C ATOM 0 H VAL A 8 16.027 3.502 -13.983 1.00 0.00 H new ATOM 0 HA VAL A 8 17.843 2.908 -11.696 1.00 0.00 H new ATOM 0 HB VAL A 8 15.682 4.988 -11.922 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.004 5.365 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.355 3.744 -9.847 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.074 3.945 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.466 6.505 -11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.618 5.149 -11.159 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.888 5.719 -12.678 1.00 0.00 H new ATOM 132 N GLY A 10 15.943 -0.654 -12.437 1.00 0.00 N ATOM 133 CA GLY A 10 16.033 -1.663 -13.478 1.00 0.00 C ATOM 134 C GLY A 10 15.314 -1.206 -14.749 1.00 0.00 C ATOM 135 O GLY A 10 15.424 -1.847 -15.793 1.00 0.00 O ATOM 0 HA2 GLY A 10 17.080 -1.867 -13.702 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.595 -2.596 -13.124 1.00 0.00 H new ATOM 139 N ARG A 11 14.593 -0.102 -14.618 1.00 0.00 N ATOM 140 CA ARG A 11 13.855 0.447 -15.743 1.00 0.00 C ATOM 141 C ARG A 11 14.732 1.428 -16.523 1.00 0.00 C ATOM 142 O ARG A 11 15.154 2.452 -15.986 1.00 0.00 O ATOM 143 CB ARG A 11 12.590 1.166 -15.273 1.00 0.00 C ATOM 144 CG ARG A 11 12.937 2.361 -14.382 1.00 0.00 C ATOM 145 CD ARG A 11 12.247 2.246 -13.020 1.00 0.00 C ATOM 146 NE ARG A 11 12.648 3.377 -12.154 1.00 0.00 N ATOM 147 CZ ARG A 11 12.400 3.440 -10.828 1.00 0.00 C ATOM 148 NH1 ARG A 11 11.752 2.435 -10.204 1.00 0.00 N ATOM 149 NH2 ARG A 11 12.804 4.500 -10.152 1.00 0.00 N ATOM 0 H ARG A 11 14.504 0.427 -13.750 1.00 0.00 H new ATOM 0 HA ARG A 11 13.568 -0.383 -16.389 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.018 1.506 -16.137 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.955 0.471 -14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.017 2.415 -14.244 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.632 3.286 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.165 2.242 -13.150 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.514 1.301 -12.546 1.00 0.00 H new ATOM 0 HE ARG A 11 13.143 4.158 -12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.445 1.619 -10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.569 2.491 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.295 5.254 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.625 4.564 -9.150 1.00 0.00 H new ATOM 159 N THR A 12 14.979 1.084 -17.779 1.00 0.00 N ATOM 160 CA THR A 12 15.798 1.922 -18.638 1.00 0.00 C ATOM 161 C THR A 12 14.953 3.035 -19.259 1.00 0.00 C ATOM 162 O THR A 12 14.062 2.766 -20.065 1.00 0.00 O ATOM 163 CB THR A 12 16.472 1.019 -19.675 1.00 0.00 C ATOM 164 OG1 THR A 12 15.388 0.339 -20.301 1.00 0.00 O ATOM 165 CG2 THR A 12 17.293 -0.100 -19.031 1.00 0.00 C ATOM 0 H THR A 12 14.626 0.236 -18.222 1.00 0.00 H new ATOM 0 HA THR A 12 16.578 2.428 -18.070 1.00 0.00 H new ATOM 0 HB THR A 12 17.118 1.620 -20.315 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.610 0.933 -20.344 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.749 -0.711 -19.810 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.074 0.335 -18.407 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.642 -0.722 -18.417 1.00 0.00 H new ATOM 173 N ALA A 13 15.259 4.260 -18.861 1.00 0.00 N ATOM 174 CA ALA A 13 14.538 5.414 -19.369 1.00 0.00 C ATOM 175 C ALA A 13 15.541 6.498 -19.776 1.00 0.00 C ATOM 176 O ALA A 13 16.555 6.691 -19.108 1.00 0.00 O ATOM 177 CB ALA A 13 13.548 5.903 -18.311 1.00 0.00 C ATOM 0 H ALA A 13 15.997 4.479 -18.192 1.00 0.00 H new ATOM 0 HA ALA A 13 13.962 5.148 -20.256 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.007 6.769 -18.692 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.841 5.107 -18.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.090 6.182 -17.407 1.00 0.00 H new ATOM 183 N LEU A 14 15.220 7.176 -20.867 1.00 0.00 N ATOM 184 CA LEU A 14 16.079 8.234 -21.370 1.00 0.00 C ATOM 185 C LEU A 14 15.213 9.361 -21.939 1.00 0.00 C ATOM 186 O LEU A 14 14.017 9.180 -22.157 1.00 0.00 O ATOM 187 CB LEU A 14 17.093 7.673 -22.370 1.00 0.00 C ATOM 188 CG LEU A 14 16.518 7.172 -23.697 1.00 0.00 C ATOM 189 CD1 LEU A 14 17.480 7.457 -24.851 1.00 0.00 C ATOM 190 CD2 LEU A 14 16.150 5.690 -23.609 1.00 0.00 C ATOM 0 H LEU A 14 14.377 7.013 -21.417 1.00 0.00 H new ATOM 0 HA LEU A 14 16.669 8.662 -20.560 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.829 8.448 -22.585 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.626 6.850 -21.894 1.00 0.00 H new ATOM 0 HG LEU A 14 15.598 7.720 -23.901 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.049 7.092 -25.783 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.650 8.531 -24.926 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.428 6.952 -24.667 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.744 5.359 -24.565 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.040 5.108 -23.372 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.403 5.546 -22.828 1.00 0.00 H new ATOM 201 N ASN A 15 15.853 10.499 -22.162 1.00 0.00 N ATOM 202 CA ASN A 15 15.157 11.654 -22.702 1.00 0.00 C ATOM 203 C ASN A 15 15.425 11.753 -24.204 1.00 0.00 C ATOM 204 O ASN A 15 16.562 11.964 -24.623 1.00 0.00 O ATOM 205 CB ASN A 15 15.650 12.949 -22.050 1.00 0.00 C ATOM 206 CG ASN A 15 15.072 14.174 -22.759 1.00 0.00 C ATOM 207 OD1 ASN A 15 14.147 14.088 -23.549 1.00 0.00 O ATOM 208 ND2 ASN A 15 15.666 15.319 -22.433 1.00 0.00 N ATOM 0 H ASN A 15 16.846 10.646 -21.979 1.00 0.00 H new ATOM 0 HA ASN A 15 14.093 11.528 -22.501 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.362 12.963 -20.999 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.739 12.985 -22.083 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.351 16.194 -22.852 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.436 15.322 -21.764 1.00 0.00 H new ATOM 214 N THR A 16 14.360 11.591 -24.974 1.00 0.00 N ATOM 215 CA THR A 16 14.466 11.657 -26.423 1.00 0.00 C ATOM 216 C THR A 16 13.937 12.998 -26.935 1.00 0.00 C ATOM 217 O THR A 16 12.728 13.186 -27.061 1.00 0.00 O ATOM 218 CB THR A 16 13.728 10.450 -27.007 1.00 0.00 C ATOM 219 OG1 THR A 16 14.635 9.366 -26.821 1.00 0.00 O ATOM 220 CG2 THR A 16 13.564 10.543 -28.525 1.00 0.00 C ATOM 0 H THR A 16 13.419 11.414 -24.623 1.00 0.00 H new ATOM 0 HA THR A 16 15.506 11.608 -26.746 1.00 0.00 H new ATOM 0 HB THR A 16 12.747 10.364 -26.541 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.236 8.542 -27.170 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.034 9.662 -28.888 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.994 11.438 -28.775 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.546 10.595 -28.995 1.00 0.00 H new ATOM 242 N ALA A 18 12.664 16.109 -26.481 1.00 0.00 N ATOM 243 CA ALA A 18 12.000 16.897 -25.457 1.00 0.00 C ATOM 244 C ALA A 18 10.871 16.073 -24.836 1.00 0.00 C ATOM 245 O ALA A 18 9.980 16.621 -24.188 1.00 0.00 O ATOM 246 CB ALA A 18 11.498 18.208 -26.065 1.00 0.00 C ATOM 0 HA ALA A 18 12.698 17.154 -24.660 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.000 18.799 -25.296 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.342 18.770 -26.465 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.794 17.990 -26.868 1.00 0.00 H new ATOM 252 N VAL A 19 10.944 14.768 -25.058 1.00 0.00 N ATOM 253 CA VAL A 19 9.939 13.862 -24.529 1.00 0.00 C ATOM 254 C VAL A 19 10.604 12.874 -23.570 1.00 0.00 C ATOM 255 O VAL A 19 11.829 12.828 -23.469 1.00 0.00 O ATOM 256 CB VAL A 19 9.199 13.174 -25.678 1.00 0.00 C ATOM 257 CG1 VAL A 19 8.473 14.197 -26.554 1.00 0.00 C ATOM 258 CG2 VAL A 19 10.155 12.320 -26.512 1.00 0.00 C ATOM 0 H VAL A 19 11.683 14.317 -25.597 1.00 0.00 H new ATOM 0 HA VAL A 19 9.189 14.412 -23.960 1.00 0.00 H new ATOM 0 HB VAL A 19 8.449 12.512 -25.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.955 13.681 -27.363 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.749 14.744 -25.950 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.197 14.895 -26.974 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.604 11.842 -27.322 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.938 12.953 -26.930 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.606 11.555 -25.879 1.00 0.00 H new ATOM 268 N GLN A 20 9.767 12.107 -22.886 1.00 0.00 N ATOM 269 CA GLN A 20 10.258 11.122 -21.937 1.00 0.00 C ATOM 270 C GLN A 20 9.965 9.707 -22.441 1.00 0.00 C ATOM 271 O GLN A 20 8.847 9.414 -22.863 1.00 0.00 O ATOM 272 CB GLN A 20 9.651 11.347 -20.550 1.00 0.00 C ATOM 273 CG GLN A 20 10.706 11.860 -19.568 1.00 0.00 C ATOM 274 CD GLN A 20 10.532 13.359 -19.309 1.00 0.00 C ATOM 275 OE1 GLN A 20 9.717 14.030 -19.922 1.00 0.00 O ATOM 276 NE2 GLN A 20 11.340 13.843 -18.372 1.00 0.00 N ATOM 0 H GLN A 20 8.751 12.148 -22.970 1.00 0.00 H new ATOM 0 HA GLN A 20 11.338 11.238 -21.848 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.833 12.064 -20.619 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.226 10.414 -20.179 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.629 11.314 -18.628 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.702 11.670 -19.967 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.999 13.225 -17.898 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.301 14.832 -18.127 1.00 0.00 H new ATOM 283 N LYS A 21 10.989 8.869 -22.380 1.00 0.00 N ATOM 284 CA LYS A 21 10.855 7.491 -22.824 1.00 0.00 C ATOM 285 C LYS A 21 11.252 6.551 -21.685 1.00 0.00 C ATOM 286 O LYS A 21 12.435 6.387 -21.393 1.00 0.00 O ATOM 287 CB LYS A 21 11.649 7.265 -24.112 1.00 0.00 C ATOM 288 CG LYS A 21 10.835 6.455 -25.123 1.00 0.00 C ATOM 289 CD LYS A 21 10.704 7.204 -26.450 1.00 0.00 C ATOM 290 CE LYS A 21 9.787 6.452 -27.417 1.00 0.00 C ATOM 291 NZ LYS A 21 10.380 6.417 -28.772 1.00 0.00 N ATOM 0 H LYS A 21 11.915 9.117 -22.030 1.00 0.00 H new ATOM 0 HA LYS A 21 9.817 7.270 -23.072 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.924 8.226 -24.547 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.577 6.741 -23.884 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.315 5.491 -25.292 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.844 6.251 -24.717 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.307 8.203 -26.270 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.689 7.329 -26.900 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.625 5.436 -27.058 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.811 6.936 -27.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.745 5.903 -29.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.512 7.389 -29.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.301 5.935 -28.736 1.00 0.00 H new ATOM 300 N TRP A 22 10.238 5.958 -21.069 1.00 0.00 N ATOM 301 CA TRP A 22 10.466 5.038 -19.968 1.00 0.00 C ATOM 302 C TRP A 22 10.059 3.638 -20.429 1.00 0.00 C ATOM 303 O TRP A 22 8.896 3.398 -20.748 1.00 0.00 O ATOM 304 CB TRP A 22 9.722 5.493 -18.711 1.00 0.00 C ATOM 305 CG TRP A 22 10.511 6.476 -17.842 1.00 0.00 C ATOM 306 CD1 TRP A 22 10.901 7.720 -18.149 1.00 0.00 C ATOM 307 CD2 TRP A 22 10.991 6.242 -16.502 1.00 0.00 C ATOM 308 NE1 TRP A 22 11.596 8.303 -17.110 1.00 0.00 N ATOM 309 CE2 TRP A 22 11.652 7.376 -16.076 1.00 0.00 C ATOM 310 CE3 TRP A 22 10.872 5.110 -15.676 1.00 0.00 C ATOM 311 CZ2 TRP A 22 12.246 7.490 -14.812 1.00 0.00 C ATOM 312 CZ3 TRP A 22 11.470 5.240 -14.416 1.00 0.00 C ATOM 313 CH2 TRP A 22 12.139 6.375 -13.973 1.00 0.00 C ATOM 0 H TRP A 22 9.257 6.097 -21.312 1.00 0.00 H new ATOM 0 HA TRP A 22 11.520 5.020 -19.692 1.00 0.00 H new ATOM 0 HB2 TRP A 22 8.782 5.959 -19.006 1.00 0.00 H new ATOM 0 HB3 TRP A 22 9.470 4.617 -18.113 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.697 8.206 -19.092 1.00 0.00 H new ATOM 0 HE1 TRP A 22 11.995 9.242 -17.102 1.00 0.00 H new ATOM 0 HE3 TRP A 22 10.360 4.212 -15.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.758 8.389 -14.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.407 4.399 -13.741 1.00 0.00 H new ATOM 0 HH2 TRP A 22 12.575 6.396 -12.985 1.00 0.00 H new ATOM 323 N HIS A 23 11.042 2.748 -20.452 1.00 0.00 N ATOM 324 CA HIS A 23 10.801 1.377 -20.868 1.00 0.00 C ATOM 325 C HIS A 23 10.878 0.449 -19.656 1.00 0.00 C ATOM 326 O HIS A 23 11.838 0.506 -18.888 1.00 0.00 O ATOM 327 CB HIS A 23 11.763 0.973 -21.988 1.00 0.00 C ATOM 328 CG HIS A 23 11.083 0.390 -23.202 1.00 0.00 C ATOM 329 ND1 HIS A 23 9.973 0.971 -23.793 1.00 0.00 N ATOM 330 CD2 HIS A 23 11.365 -0.729 -23.932 1.00 0.00 C ATOM 331 CE1 HIS A 23 9.613 0.229 -24.829 1.00 0.00 C ATOM 332 NE2 HIS A 23 10.477 -0.825 -24.913 1.00 0.00 N ATOM 0 H HIS A 23 12.007 2.951 -20.189 1.00 0.00 H new ATOM 0 HA HIS A 23 9.796 1.291 -21.282 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.338 1.848 -22.292 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.473 0.244 -21.597 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.174 -1.419 -23.743 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.782 0.423 -25.491 1.00 0.00 H new ATOM 0 HE2 HIS A 23 10.445 -1.565 -25.615 1.00 0.00 H new ATOM 339 N PHE A 24 9.856 -0.382 -19.518 1.00 0.00 N ATOM 340 CA PHE A 24 9.796 -1.320 -18.410 1.00 0.00 C ATOM 341 C PHE A 24 9.714 -2.761 -18.917 1.00 0.00 C ATOM 342 O PHE A 24 8.622 -3.296 -19.102 1.00 0.00 O ATOM 343 CB PHE A 24 8.528 -0.996 -17.619 1.00 0.00 C ATOM 344 CG PHE A 24 8.647 0.247 -16.734 1.00 0.00 C ATOM 345 CD1 PHE A 24 8.413 1.480 -17.260 1.00 0.00 C ATOM 346 CD2 PHE A 24 8.989 0.120 -15.424 1.00 0.00 C ATOM 347 CE1 PHE A 24 8.522 2.634 -16.439 1.00 0.00 C ATOM 348 CE2 PHE A 24 9.098 1.274 -14.604 1.00 0.00 C ATOM 349 CZ PHE A 24 8.864 2.507 -15.129 1.00 0.00 C ATOM 0 H PHE A 24 9.061 -0.425 -20.156 1.00 0.00 H new ATOM 0 HA PHE A 24 10.692 -1.230 -17.796 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.703 -0.855 -18.317 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.274 -1.852 -16.994 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.145 1.581 -18.301 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.178 -0.858 -15.007 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.333 3.613 -16.855 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.367 1.173 -13.563 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.950 3.385 -14.506 1.00 0.00 H new ATOM 358 N VAL A 25 10.882 -3.349 -19.128 1.00 0.00 N ATOM 359 CA VAL A 25 10.954 -4.718 -19.608 1.00 0.00 C ATOM 360 C VAL A 25 11.631 -5.590 -18.549 1.00 0.00 C ATOM 361 O VAL A 25 12.814 -5.907 -18.662 1.00 0.00 O ATOM 362 CB VAL A 25 11.669 -4.760 -20.961 1.00 0.00 C ATOM 363 CG1 VAL A 25 10.919 -3.929 -22.003 1.00 0.00 C ATOM 364 CG2 VAL A 25 13.121 -4.293 -20.829 1.00 0.00 C ATOM 0 H VAL A 25 11.786 -2.902 -18.975 1.00 0.00 H new ATOM 0 HA VAL A 25 9.954 -5.119 -19.770 1.00 0.00 H new ATOM 0 HB VAL A 25 11.680 -5.795 -21.302 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.448 -3.976 -22.955 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.911 -4.325 -22.128 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.862 -2.893 -21.670 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.606 -4.333 -21.804 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.141 -3.269 -20.455 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.651 -4.944 -20.134 1.00 0.00 H new ATOM 374 N LEU A 26 10.850 -5.956 -17.542 1.00 0.00 N ATOM 375 CA LEU A 26 11.358 -6.785 -16.464 1.00 0.00 C ATOM 376 C LEU A 26 10.589 -8.109 -16.439 1.00 0.00 C ATOM 377 O LEU A 26 9.611 -8.249 -15.708 1.00 0.00 O ATOM 378 CB LEU A 26 11.315 -6.025 -15.136 1.00 0.00 C ATOM 379 CG LEU A 26 12.615 -5.340 -14.714 1.00 0.00 C ATOM 380 CD1 LEU A 26 12.368 -3.877 -14.338 1.00 0.00 C ATOM 381 CD2 LEU A 26 13.300 -6.114 -13.585 1.00 0.00 C ATOM 0 H LEU A 26 9.869 -5.693 -17.451 1.00 0.00 H new ATOM 0 HA LEU A 26 12.407 -7.027 -16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.533 -5.269 -15.198 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.023 -6.722 -14.350 1.00 0.00 H new ATOM 0 HG LEU A 26 13.295 -5.343 -15.566 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.309 -3.414 -14.042 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.956 -3.345 -15.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.663 -3.829 -13.508 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.222 -5.606 -13.303 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.635 -6.164 -12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.531 -7.124 -13.924 1.00 0.00 H new ATOM 406 N GLY A 28 8.038 -10.422 -17.411 1.00 0.00 N ATOM 407 CA GLY A 28 6.724 -10.375 -18.029 1.00 0.00 C ATOM 408 C GLY A 28 6.105 -8.982 -17.898 1.00 0.00 C ATOM 409 O GLY A 28 5.028 -8.722 -18.432 1.00 0.00 O ATOM 0 HA2 GLY A 28 6.804 -10.644 -19.082 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.072 -11.112 -17.561 1.00 0.00 H new ATOM 413 N TYR A 29 6.814 -8.120 -17.184 1.00 0.00 N ATOM 414 CA TYR A 29 6.350 -6.759 -16.974 1.00 0.00 C ATOM 415 C TYR A 29 6.758 -5.855 -18.140 1.00 0.00 C ATOM 416 O TYR A 29 7.900 -5.406 -18.210 1.00 0.00 O ATOM 417 CB TYR A 29 7.038 -6.270 -15.699 1.00 0.00 C ATOM 418 CG TYR A 29 6.203 -6.455 -14.431 1.00 0.00 C ATOM 419 CD1 TYR A 29 5.845 -7.723 -14.019 1.00 0.00 C ATOM 420 CD2 TYR A 29 5.807 -5.353 -13.698 1.00 0.00 C ATOM 421 CE1 TYR A 29 5.060 -7.897 -12.826 1.00 0.00 C ATOM 422 CE2 TYR A 29 5.022 -5.528 -12.504 1.00 0.00 C ATOM 423 CZ TYR A 29 4.686 -6.791 -12.127 1.00 0.00 C ATOM 424 OH TYR A 29 3.944 -6.957 -10.999 1.00 0.00 O ATOM 0 H TYR A 29 7.708 -8.338 -16.743 1.00 0.00 H new ATOM 0 HA TYR A 29 5.263 -6.731 -16.898 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.982 -6.802 -15.581 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.280 -5.213 -15.811 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.154 -8.584 -14.592 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.086 -4.361 -14.021 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.774 -8.884 -12.493 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.707 -4.675 -11.921 1.00 0.00 H new ATOM 0 HH TYR A 29 3.751 -6.082 -10.603 1.00 0.00 H new ATOM 433 N LYS A 30 5.800 -5.615 -19.025 1.00 0.00 N ATOM 434 CA LYS A 30 6.046 -4.774 -20.182 1.00 0.00 C ATOM 435 C LYS A 30 5.170 -3.523 -20.092 1.00 0.00 C ATOM 436 O LYS A 30 4.040 -3.514 -20.579 1.00 0.00 O ATOM 437 CB LYS A 30 5.851 -5.569 -21.474 1.00 0.00 C ATOM 438 CG LYS A 30 7.176 -5.733 -22.223 1.00 0.00 C ATOM 439 CD LYS A 30 7.023 -5.358 -23.697 1.00 0.00 C ATOM 440 CE LYS A 30 7.765 -6.350 -24.596 1.00 0.00 C ATOM 441 NZ LYS A 30 8.925 -5.698 -25.243 1.00 0.00 N ATOM 0 H LYS A 30 4.853 -5.989 -18.963 1.00 0.00 H new ATOM 0 HA LYS A 30 7.083 -4.438 -20.195 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.436 -6.550 -21.242 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.129 -5.060 -22.113 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.938 -5.105 -21.762 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.519 -6.764 -22.140 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.966 -5.341 -23.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.410 -4.352 -23.862 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.102 -7.202 -24.006 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.087 -6.737 -25.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.416 -6.386 -25.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.596 -4.899 -25.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.579 -5.350 -24.513 1.00 0.00 H new ATOM 450 N CYS A 31 5.723 -2.494 -19.466 1.00 0.00 N ATOM 451 CA CYS A 31 5.007 -1.240 -19.307 1.00 0.00 C ATOM 452 C CYS A 31 5.679 -0.186 -20.189 1.00 0.00 C ATOM 453 O CYS A 31 6.883 0.041 -20.081 1.00 0.00 O ATOM 454 CB CYS A 31 4.947 -0.805 -17.842 1.00 0.00 C ATOM 455 SG CYS A 31 4.275 -2.061 -16.694 1.00 0.00 S ATOM 0 H CYS A 31 6.660 -2.504 -19.063 1.00 0.00 H new ATOM 0 HA CYS A 31 3.971 -1.368 -19.622 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.952 -0.536 -17.516 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.337 0.096 -17.770 1.00 0.00 H new ATOM 459 N GLU A 32 4.873 0.428 -21.042 1.00 0.00 N ATOM 460 CA GLU A 32 5.376 1.452 -21.942 1.00 0.00 C ATOM 461 C GLU A 32 4.831 2.825 -21.540 1.00 0.00 C ATOM 462 O GLU A 32 3.653 3.114 -21.745 1.00 0.00 O ATOM 463 CB GLU A 32 5.024 1.126 -23.394 1.00 0.00 C ATOM 464 CG GLU A 32 3.506 1.084 -23.595 1.00 0.00 C ATOM 465 CD GLU A 32 3.048 2.196 -24.541 1.00 0.00 C ATOM 466 OE1 GLU A 32 3.820 2.627 -25.411 1.00 0.00 O ATOM 467 OE2 GLU A 32 1.841 2.611 -24.351 1.00 0.00 O ATOM 0 H GLU A 32 3.875 0.236 -21.129 1.00 0.00 H new ATOM 0 HA GLU A 32 6.463 1.477 -21.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.461 1.875 -24.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.458 0.165 -23.670 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.216 0.115 -24.000 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.005 1.191 -22.633 1.00 0.00 H new ATOM 473 N ILE A 33 5.716 3.634 -20.975 1.00 0.00 N ATOM 474 CA ILE A 33 5.339 4.969 -20.543 1.00 0.00 C ATOM 475 C ILE A 33 5.884 5.995 -21.537 1.00 0.00 C ATOM 476 O ILE A 33 7.096 6.094 -21.731 1.00 0.00 O ATOM 477 CB ILE A 33 5.787 5.212 -19.101 1.00 0.00 C ATOM 478 CG1 ILE A 33 5.649 3.939 -18.262 1.00 0.00 C ATOM 479 CG2 ILE A 33 5.031 6.390 -18.482 1.00 0.00 C ATOM 480 CD1 ILE A 33 4.178 3.575 -18.056 1.00 0.00 C ATOM 0 H ILE A 33 6.692 3.391 -20.807 1.00 0.00 H new ATOM 0 HA ILE A 33 4.254 5.075 -20.538 1.00 0.00 H new ATOM 0 HB ILE A 33 6.844 5.478 -19.113 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.165 3.116 -18.756 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.131 4.083 -17.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.369 6.541 -17.457 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.223 7.292 -19.064 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.962 6.178 -18.484 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.108 2.667 -17.457 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.670 4.390 -17.540 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.705 3.408 -19.024 1.00 0.00 H new ATOM 491 N LEU A 34 4.966 6.734 -22.142 1.00 0.00 N ATOM 492 CA LEU A 34 5.339 7.750 -23.111 1.00 0.00 C ATOM 493 C LEU A 34 4.899 9.124 -22.601 1.00 0.00 C ATOM 494 O LEU A 34 4.011 9.748 -23.179 1.00 0.00 O ATOM 495 CB LEU A 34 4.785 7.401 -24.494 1.00 0.00 C ATOM 496 CG LEU A 34 5.764 6.728 -25.460 1.00 0.00 C ATOM 497 CD1 LEU A 34 6.910 7.675 -25.826 1.00 0.00 C ATOM 498 CD2 LEU A 34 6.276 5.404 -24.888 1.00 0.00 C ATOM 0 H LEU A 34 3.963 6.649 -21.979 1.00 0.00 H new ATOM 0 HA LEU A 34 6.422 7.785 -23.226 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.925 6.744 -24.364 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.419 8.317 -24.958 1.00 0.00 H new ATOM 0 HG LEU A 34 5.230 6.496 -26.381 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.591 7.173 -26.513 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.506 8.568 -26.303 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.450 7.959 -24.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.969 4.947 -25.594 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.789 5.589 -23.944 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.435 4.732 -24.718 1.00 0.00 H new ATOM 509 N ALA A 35 5.541 9.553 -21.525 1.00 0.00 N ATOM 510 CA ALA A 35 5.227 10.840 -20.930 1.00 0.00 C ATOM 511 C ALA A 35 6.437 11.767 -21.062 1.00 0.00 C ATOM 512 O ALA A 35 7.049 11.848 -22.127 1.00 0.00 O ATOM 513 CB ALA A 35 4.801 10.641 -19.474 1.00 0.00 C ATOM 0 H ALA A 35 6.278 9.032 -21.050 1.00 0.00 H new ATOM 0 HA ALA A 35 4.393 11.310 -21.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.566 11.608 -19.028 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.920 10.000 -19.437 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.613 10.173 -18.918 1.00 0.00 H new ATOM 571 N LYS B 5 -14.401 -10.464 -16.605 1.00 0.00 N ATOM 572 CA LYS B 5 -13.695 -9.194 -16.588 1.00 0.00 C ATOM 573 C LYS B 5 -13.584 -8.696 -15.146 1.00 0.00 C ATOM 574 O LYS B 5 -14.583 -8.621 -14.431 1.00 0.00 O ATOM 575 CB LYS B 5 -14.368 -8.194 -17.532 1.00 0.00 C ATOM 576 CG LYS B 5 -15.704 -7.715 -16.962 1.00 0.00 C ATOM 577 CD LYS B 5 -16.747 -7.553 -18.069 1.00 0.00 C ATOM 578 CE LYS B 5 -17.115 -6.081 -18.266 1.00 0.00 C ATOM 579 NZ LYS B 5 -18.550 -5.945 -18.601 1.00 0.00 N ATOM 0 HA LYS B 5 -12.679 -9.319 -16.963 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -13.710 -7.340 -17.692 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -14.529 -8.659 -18.505 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.064 -8.428 -16.221 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -15.564 -6.764 -16.448 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -16.359 -7.962 -19.002 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -17.641 -8.124 -17.818 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.893 -5.520 -17.358 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -16.507 -5.652 -19.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -18.782 -4.940 -18.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -18.752 -6.464 -19.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -19.126 -6.336 -17.828 1.00 0.00 H new ATOM 588 N PHE B 6 -12.360 -8.370 -14.759 1.00 0.00 N ATOM 589 CA PHE B 6 -12.104 -7.881 -13.414 1.00 0.00 C ATOM 590 C PHE B 6 -11.617 -6.431 -13.440 1.00 0.00 C ATOM 591 O PHE B 6 -10.619 -6.120 -14.087 1.00 0.00 O ATOM 592 CB PHE B 6 -11.006 -8.765 -12.819 1.00 0.00 C ATOM 593 CG PHE B 6 -11.435 -10.213 -12.577 1.00 0.00 C ATOM 594 CD1 PHE B 6 -12.214 -10.521 -11.506 1.00 0.00 C ATOM 595 CD2 PHE B 6 -11.037 -11.193 -13.431 1.00 0.00 C ATOM 596 CE1 PHE B 6 -12.614 -11.864 -11.280 1.00 0.00 C ATOM 597 CE2 PHE B 6 -11.436 -12.537 -13.206 1.00 0.00 C ATOM 598 CZ PHE B 6 -12.215 -12.844 -12.135 1.00 0.00 C ATOM 0 H PHE B 6 -11.534 -8.435 -15.353 1.00 0.00 H new ATOM 0 HA PHE B 6 -13.020 -7.917 -12.825 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -10.146 -8.759 -13.489 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -10.677 -8.332 -11.874 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -12.529 -9.743 -10.826 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -10.417 -10.949 -14.281 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -13.234 -12.108 -10.430 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -11.121 -13.315 -13.885 1.00 0.00 H new ATOM 0 HZ PHE B 6 -12.517 -13.866 -11.963 1.00 0.00 H new ATOM 607 N THR B 7 -12.347 -5.582 -12.730 1.00 0.00 N ATOM 608 CA THR B 7 -12.001 -4.173 -12.663 1.00 0.00 C ATOM 609 C THR B 7 -11.704 -3.765 -11.220 1.00 0.00 C ATOM 610 O THR B 7 -12.575 -3.238 -10.527 1.00 0.00 O ATOM 611 CB THR B 7 -13.142 -3.376 -13.298 1.00 0.00 C ATOM 612 OG1 THR B 7 -12.931 -3.521 -14.699 1.00 0.00 O ATOM 613 CG2 THR B 7 -13.013 -1.872 -13.055 1.00 0.00 C ATOM 0 H THR B 7 -13.176 -5.844 -12.197 1.00 0.00 H new ATOM 0 HA THR B 7 -11.088 -3.962 -13.221 1.00 0.00 H new ATOM 0 HB THR B 7 -14.094 -3.727 -12.899 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.629 -3.036 -15.187 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.848 -1.354 -13.527 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.023 -1.674 -11.983 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.076 -1.514 -13.482 1.00 0.00 H new ATOM 621 N VAL B 8 -10.472 -4.023 -10.806 1.00 0.00 N ATOM 622 CA VAL B 8 -10.050 -3.688 -9.457 1.00 0.00 C ATOM 623 C VAL B 8 -8.916 -2.663 -9.521 1.00 0.00 C ATOM 624 O VAL B 8 -7.962 -2.833 -10.278 1.00 0.00 O ATOM 625 CB VAL B 8 -9.663 -4.960 -8.698 1.00 0.00 C ATOM 626 CG1 VAL B 8 -8.430 -5.616 -9.322 1.00 0.00 C ATOM 627 CG2 VAL B 8 -9.436 -4.666 -7.214 1.00 0.00 C ATOM 0 H VAL B 8 -9.752 -4.460 -11.382 1.00 0.00 H new ATOM 0 HA VAL B 8 -10.870 -3.231 -8.903 1.00 0.00 H new ATOM 0 HB VAL B 8 -10.493 -5.663 -8.776 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -8.176 -6.517 -8.764 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -8.643 -5.878 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -7.592 -4.920 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -9.162 -5.587 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.633 -3.937 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -10.351 -4.264 -6.779 1.00 0.00 H new ATOM 651 N GLY B 10 -8.977 -0.075 -10.832 1.00 0.00 N ATOM 652 CA GLY B 10 -9.165 0.676 -12.062 1.00 0.00 C ATOM 653 C GLY B 10 -8.446 0.001 -13.231 1.00 0.00 C ATOM 654 O GLY B 10 -8.432 0.527 -14.344 1.00 0.00 O ATOM 0 HA2 GLY B 10 -10.229 0.758 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -8.787 1.690 -11.935 1.00 0.00 H new ATOM 658 N ARG B 11 -7.866 -1.154 -12.942 1.00 0.00 N ATOM 659 CA ARG B 11 -7.148 -1.907 -13.956 1.00 0.00 C ATOM 660 C ARG B 11 -8.061 -2.962 -14.582 1.00 0.00 C ATOM 661 O ARG B 11 -8.708 -3.730 -13.871 1.00 0.00 O ATOM 662 CB ARG B 11 -5.917 -2.596 -13.361 1.00 0.00 C ATOM 663 CG ARG B 11 -4.955 -3.046 -14.462 1.00 0.00 C ATOM 664 CD ARG B 11 -3.562 -3.324 -13.894 1.00 0.00 C ATOM 665 NE ARG B 11 -2.553 -3.261 -14.974 1.00 0.00 N ATOM 666 CZ ARG B 11 -1.227 -3.434 -14.782 1.00 0.00 C ATOM 667 NH1 ARG B 11 -0.740 -3.682 -13.548 1.00 0.00 N ATOM 668 NH2 ARG B 11 -0.415 -3.356 -15.820 1.00 0.00 N ATOM 0 H ARG B 11 -7.879 -1.587 -12.019 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.823 -1.203 -14.722 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.405 -1.913 -12.683 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.228 -3.458 -12.770 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -5.342 -3.945 -14.942 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.891 -2.276 -15.231 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -3.324 -2.595 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -3.542 -4.307 -13.423 1.00 0.00 H new ATOM 0 HE ARG B 11 -2.879 -3.075 -15.923 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -1.375 -3.740 -12.751 1.00 0.00 H new ATOM 0 HH12 ARG B 11 0.263 -3.811 -13.412 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -0.792 -3.168 -16.749 1.00 0.00 H new ATOM 0 HH22 ARG B 11 0.589 -3.484 -15.693 1.00 0.00 H new ATOM 678 N THR B 12 -8.086 -2.966 -15.907 1.00 0.00 N ATOM 679 CA THR B 12 -8.911 -3.913 -16.637 1.00 0.00 C ATOM 680 C THR B 12 -8.082 -5.128 -17.060 1.00 0.00 C ATOM 681 O THR B 12 -7.290 -5.047 -17.999 1.00 0.00 O ATOM 682 CB THR B 12 -9.551 -3.175 -17.814 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.441 -2.247 -17.200 1.00 0.00 O ATOM 684 CG2 THR B 12 -10.468 -4.077 -18.644 1.00 0.00 C ATOM 0 H THR B 12 -7.548 -2.328 -16.494 1.00 0.00 H new ATOM 0 HA THR B 12 -9.710 -4.307 -16.009 1.00 0.00 H new ATOM 0 HB THR B 12 -8.769 -2.766 -18.454 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.897 -1.725 -17.892 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.896 -3.503 -19.466 1.00 0.00 H new ATOM 0 HG22 THR B 12 -9.892 -4.911 -19.045 1.00 0.00 H new ATOM 0 HG23 THR B 12 -11.270 -4.460 -18.013 1.00 0.00 H new ATOM 692 N ALA B 13 -8.290 -6.224 -16.346 1.00 0.00 N ATOM 693 CA ALA B 13 -7.571 -7.453 -16.635 1.00 0.00 C ATOM 694 C ALA B 13 -8.576 -8.573 -16.913 1.00 0.00 C ATOM 695 O ALA B 13 -9.592 -8.683 -16.231 1.00 0.00 O ATOM 696 CB ALA B 13 -6.636 -7.784 -15.471 1.00 0.00 C ATOM 0 H ALA B 13 -8.946 -6.287 -15.568 1.00 0.00 H new ATOM 0 HA ALA B 13 -6.953 -7.336 -17.525 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -6.097 -8.706 -15.688 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -5.923 -6.971 -15.334 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -7.220 -7.912 -14.560 1.00 0.00 H new ATOM 702 N LEU B 14 -8.255 -9.378 -17.916 1.00 0.00 N ATOM 703 CA LEU B 14 -9.116 -10.485 -18.292 1.00 0.00 C ATOM 704 C LEU B 14 -8.312 -11.788 -18.253 1.00 0.00 C ATOM 705 O LEU B 14 -7.101 -11.767 -18.040 1.00 0.00 O ATOM 706 CB LEU B 14 -9.781 -10.213 -19.643 1.00 0.00 C ATOM 707 CG LEU B 14 -11.187 -9.616 -19.590 1.00 0.00 C ATOM 708 CD1 LEU B 14 -11.134 -8.111 -19.319 1.00 0.00 C ATOM 709 CD2 LEU B 14 -11.970 -9.940 -20.863 1.00 0.00 C ATOM 0 H LEU B 14 -7.410 -9.285 -18.479 1.00 0.00 H new ATOM 0 HA LEU B 14 -9.932 -10.592 -17.577 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -9.142 -9.537 -20.210 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.826 -11.150 -20.198 1.00 0.00 H new ATOM 0 HG LEU B 14 -11.721 -10.076 -18.758 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -12.148 -7.711 -19.286 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -10.642 -7.930 -18.363 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -10.575 -7.618 -20.114 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -12.967 -9.503 -20.798 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -11.448 -9.527 -21.726 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -12.054 -11.021 -20.973 1.00 0.00 H new ATOM 720 N ASN B 15 -9.019 -12.888 -18.463 1.00 0.00 N ATOM 721 CA ASN B 15 -8.387 -14.196 -18.454 1.00 0.00 C ATOM 722 C ASN B 15 -8.415 -14.781 -19.868 1.00 0.00 C ATOM 723 O ASN B 15 -9.485 -15.035 -20.416 1.00 0.00 O ATOM 724 CB ASN B 15 -9.129 -15.161 -17.529 1.00 0.00 C ATOM 725 CG ASN B 15 -10.522 -15.484 -18.075 1.00 0.00 C ATOM 726 OD1 ASN B 15 -11.280 -14.613 -18.466 1.00 0.00 O ATOM 727 ND2 ASN B 15 -10.813 -16.781 -18.080 1.00 0.00 N ATOM 0 H ASN B 15 -10.023 -12.901 -18.640 1.00 0.00 H new ATOM 0 HA ASN B 15 -7.364 -14.073 -18.100 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -8.555 -16.081 -17.421 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -9.217 -14.722 -16.535 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -11.718 -17.099 -18.426 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.131 -17.458 -17.738 1.00 0.00 H new ATOM 733 N THR B 16 -7.225 -14.978 -20.417 1.00 0.00 N ATOM 734 CA THR B 16 -7.102 -15.527 -21.756 1.00 0.00 C ATOM 735 C THR B 16 -6.445 -16.909 -21.707 1.00 0.00 C ATOM 736 O THR B 16 -5.247 -17.023 -21.453 1.00 0.00 O ATOM 737 CB THR B 16 -6.331 -14.520 -22.611 1.00 0.00 C ATOM 738 OG1 THR B 16 -5.092 -14.359 -21.926 1.00 0.00 O ATOM 739 CG2 THR B 16 -6.958 -13.124 -22.580 1.00 0.00 C ATOM 0 H THR B 16 -6.338 -14.767 -19.959 1.00 0.00 H new ATOM 0 HA THR B 16 -8.080 -15.681 -22.211 1.00 0.00 H new ATOM 0 HB THR B 16 -6.288 -14.876 -23.640 1.00 0.00 H new ATOM 0 HG1 THR B 16 -4.784 -15.230 -21.599 1.00 0.00 H new ATOM 0 HG21 THR B 16 -6.372 -12.448 -23.203 1.00 0.00 H new ATOM 0 HG22 THR B 16 -7.978 -13.175 -22.960 1.00 0.00 H new ATOM 0 HG23 THR B 16 -6.971 -12.753 -21.555 1.00 0.00 H new ATOM 761 N ALA B 18 -5.306 -19.769 -20.104 1.00 0.00 N ATOM 762 CA ALA B 18 -4.939 -20.200 -18.765 1.00 0.00 C ATOM 763 C ALA B 18 -3.930 -19.213 -18.175 1.00 0.00 C ATOM 764 O ALA B 18 -3.264 -19.519 -17.186 1.00 0.00 O ATOM 765 CB ALA B 18 -4.393 -21.629 -18.820 1.00 0.00 C ATOM 0 HA ALA B 18 -5.812 -20.209 -18.112 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -4.118 -21.952 -17.816 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -5.158 -22.296 -19.219 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -3.514 -21.658 -19.464 1.00 0.00 H new ATOM 771 N VAL B 19 -3.850 -18.051 -18.804 1.00 0.00 N ATOM 772 CA VAL B 19 -2.933 -17.018 -18.353 1.00 0.00 C ATOM 773 C VAL B 19 -3.730 -15.775 -17.952 1.00 0.00 C ATOM 774 O VAL B 19 -4.900 -15.642 -18.308 1.00 0.00 O ATOM 775 CB VAL B 19 -1.889 -16.735 -19.436 1.00 0.00 C ATOM 776 CG1 VAL B 19 -1.145 -18.012 -19.828 1.00 0.00 C ATOM 777 CG2 VAL B 19 -2.532 -16.078 -20.659 1.00 0.00 C ATOM 0 H VAL B 19 -4.405 -17.801 -19.623 1.00 0.00 H new ATOM 0 HA VAL B 19 -2.385 -17.352 -17.472 1.00 0.00 H new ATOM 0 HB VAL B 19 -1.161 -16.036 -19.024 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.409 -17.782 -20.599 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -0.639 -18.421 -18.954 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.856 -18.744 -20.211 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -1.769 -15.888 -21.413 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.292 -16.742 -21.071 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -2.994 -15.136 -20.365 1.00 0.00 H new ATOM 787 N GLN B 20 -3.065 -14.897 -17.214 1.00 0.00 N ATOM 788 CA GLN B 20 -3.696 -13.670 -16.760 1.00 0.00 C ATOM 789 C GLN B 20 -3.093 -12.463 -17.482 1.00 0.00 C ATOM 790 O GLN B 20 -1.873 -12.333 -17.567 1.00 0.00 O ATOM 791 CB GLN B 20 -3.573 -13.519 -15.243 1.00 0.00 C ATOM 792 CG GLN B 20 -2.113 -13.322 -14.829 1.00 0.00 C ATOM 793 CD GLN B 20 -1.940 -13.526 -13.321 1.00 0.00 C ATOM 794 OE1 GLN B 20 -0.678 -13.447 -12.908 1.00 0.00 O flip ATOM 795 NE2 GLN B 20 -2.888 -13.738 -12.584 1.00 0.00 N flip ATOM 0 H GLN B 20 -2.095 -15.012 -16.920 1.00 0.00 H new ATOM 0 HA GLN B 20 -4.758 -13.720 -17.002 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.167 -12.669 -14.909 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.978 -14.404 -14.752 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -1.479 -14.025 -15.370 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -1.785 -12.320 -15.104 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -3.832 -13.786 -12.968 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -2.737 -13.867 -11.584 1.00 0.00 H new ATOM 802 N LYS B 21 -3.975 -11.613 -17.984 1.00 0.00 N ATOM 803 CA LYS B 21 -3.545 -10.421 -18.696 1.00 0.00 C ATOM 804 C LYS B 21 -4.159 -9.186 -18.033 1.00 0.00 C ATOM 805 O LYS B 21 -5.380 -9.048 -17.982 1.00 0.00 O ATOM 806 CB LYS B 21 -3.865 -10.543 -20.188 1.00 0.00 C ATOM 807 CG LYS B 21 -5.376 -10.598 -20.420 1.00 0.00 C ATOM 808 CD LYS B 21 -5.768 -9.810 -21.671 1.00 0.00 C ATOM 809 CE LYS B 21 -5.881 -8.315 -21.363 1.00 0.00 C ATOM 810 NZ LYS B 21 -4.543 -7.684 -21.364 1.00 0.00 N ATOM 0 H LYS B 21 -4.986 -11.725 -17.912 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.462 -10.310 -18.634 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.441 -9.695 -20.725 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.398 -11.441 -20.592 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -5.694 -11.635 -20.525 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -5.896 -10.192 -19.552 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -5.026 -9.969 -22.453 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -6.719 -10.179 -22.055 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -6.518 -7.832 -22.104 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -6.356 -8.172 -20.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -4.618 -6.711 -21.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -4.167 -7.666 -20.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -3.902 -8.231 -21.973 1.00 0.00 H new ATOM 819 N TRP B 22 -3.284 -8.321 -17.542 1.00 0.00 N ATOM 820 CA TRP B 22 -3.726 -7.101 -16.886 1.00 0.00 C ATOM 821 C TRP B 22 -3.218 -5.913 -17.702 1.00 0.00 C ATOM 822 O TRP B 22 -2.012 -5.738 -17.868 1.00 0.00 O ATOM 823 CB TRP B 22 -3.262 -7.067 -15.428 1.00 0.00 C ATOM 824 CG TRP B 22 -3.868 -8.168 -14.555 1.00 0.00 C ATOM 825 CD1 TRP B 22 -3.915 -9.484 -14.801 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.515 -7.993 -13.277 1.00 0.00 C ATOM 827 NE1 TRP B 22 -4.541 -10.167 -13.781 1.00 0.00 N ATOM 828 CE2 TRP B 22 -4.919 -9.233 -12.824 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.751 -6.827 -12.529 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -5.584 -9.425 -11.606 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -5.417 -7.036 -11.314 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.830 -8.276 -10.844 1.00 0.00 C ATOM 0 H TRP B 22 -2.272 -8.440 -17.585 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.814 -7.055 -16.848 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.176 -7.153 -15.401 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -3.515 -6.097 -15.000 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -3.513 -9.951 -15.688 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -4.698 -11.174 -13.737 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -4.443 -5.847 -12.864 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -5.890 -10.406 -11.273 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -5.624 -6.172 -10.700 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -6.339 -8.354 -9.895 1.00 0.00 H new ATOM 842 N HIS B 23 -4.164 -5.126 -18.194 1.00 0.00 N ATOM 843 CA HIS B 23 -3.827 -3.959 -18.990 1.00 0.00 C ATOM 844 C HIS B 23 -4.194 -2.688 -18.221 1.00 0.00 C ATOM 845 O HIS B 23 -5.256 -2.616 -17.606 1.00 0.00 O ATOM 846 CB HIS B 23 -4.492 -4.030 -20.366 1.00 0.00 C ATOM 847 CG HIS B 23 -5.661 -3.090 -20.535 1.00 0.00 C ATOM 848 ND1 HIS B 23 -5.716 -1.726 -20.533 1.00 0.00 N flip ATOM 849 CD2 HIS B 23 -6.958 -3.533 -20.727 1.00 0.00 C flip ATOM 850 CE1 HIS B 23 -6.977 -1.356 -20.718 1.00 0.00 C flip ATOM 851 NE2 HIS B 23 -7.749 -2.474 -20.837 1.00 0.00 N flip ATOM 0 H HIS B 23 -5.164 -5.274 -18.056 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.752 -3.936 -19.169 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -3.747 -3.807 -21.130 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.832 -5.051 -20.541 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -7.272 -4.565 -20.778 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -7.333 -0.338 -20.766 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -8.758 -2.493 -20.985 1.00 0.00 H new ATOM 858 N PHE B 24 -3.293 -1.719 -18.280 1.00 0.00 N ATOM 859 CA PHE B 24 -3.507 -0.455 -17.595 1.00 0.00 C ATOM 860 C PHE B 24 -3.241 0.727 -18.529 1.00 0.00 C ATOM 861 O PHE B 24 -2.106 0.947 -18.949 1.00 0.00 O ATOM 862 CB PHE B 24 -2.517 -0.403 -16.431 1.00 0.00 C ATOM 863 CG PHE B 24 -3.139 0.037 -15.104 1.00 0.00 C ATOM 864 CD1 PHE B 24 -4.109 0.990 -15.090 1.00 0.00 C ATOM 865 CD2 PHE B 24 -2.721 -0.524 -13.938 1.00 0.00 C ATOM 866 CE1 PHE B 24 -4.685 1.399 -13.860 1.00 0.00 C ATOM 867 CE2 PHE B 24 -3.298 -0.116 -12.706 1.00 0.00 C ATOM 868 CZ PHE B 24 -4.269 0.838 -12.694 1.00 0.00 C ATOM 0 H PHE B 24 -2.413 -1.783 -18.792 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.540 -0.388 -17.253 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.071 -1.389 -16.302 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.708 0.282 -16.686 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.441 1.436 -16.016 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.950 -1.280 -13.949 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.455 2.157 -13.850 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.967 -0.562 -11.780 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.709 1.149 -11.758 1.00 0.00 H new ATOM 877 N VAL B 25 -4.306 1.456 -18.828 1.00 0.00 N ATOM 878 CA VAL B 25 -4.201 2.609 -19.705 1.00 0.00 C ATOM 879 C VAL B 25 -4.683 3.856 -18.960 1.00 0.00 C ATOM 880 O VAL B 25 -5.817 3.902 -18.487 1.00 0.00 O ATOM 881 CB VAL B 25 -4.972 2.353 -21.001 1.00 0.00 C ATOM 882 CG1 VAL B 25 -6.481 2.358 -20.753 1.00 0.00 C ATOM 883 CG2 VAL B 25 -4.589 3.372 -22.077 1.00 0.00 C ATOM 0 H VAL B 25 -5.246 1.270 -18.478 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.162 2.780 -19.988 1.00 0.00 H new ATOM 0 HB VAL B 25 -4.697 1.363 -21.364 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -7.005 2.174 -21.691 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -6.735 1.577 -20.036 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -6.781 3.327 -20.355 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -5.151 3.168 -22.988 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.821 4.377 -21.725 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -3.522 3.298 -22.285 1.00 0.00 H new ATOM 893 N LEU B 26 -3.795 4.838 -18.879 1.00 0.00 N ATOM 894 CA LEU B 26 -4.116 6.081 -18.199 1.00 0.00 C ATOM 895 C LEU B 26 -3.510 7.253 -18.976 1.00 0.00 C ATOM 896 O LEU B 26 -2.496 7.816 -18.564 1.00 0.00 O ATOM 897 CB LEU B 26 -3.675 6.021 -16.735 1.00 0.00 C ATOM 898 CG LEU B 26 -4.744 6.377 -15.698 1.00 0.00 C ATOM 899 CD1 LEU B 26 -4.459 5.691 -14.360 1.00 0.00 C ATOM 900 CD2 LEU B 26 -4.879 7.894 -15.549 1.00 0.00 C ATOM 0 H LEU B 26 -2.855 4.797 -19.273 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.195 6.235 -18.177 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.315 5.014 -16.525 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.829 6.696 -16.603 1.00 0.00 H new ATOM 0 HG LEU B 26 -5.704 6.002 -16.053 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -5.233 5.960 -13.641 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.453 4.610 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.488 6.014 -13.985 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -5.645 8.120 -14.807 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.926 8.314 -15.227 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -5.163 8.330 -16.507 1.00 0.00 H new ATOM 925 N GLY B 28 -1.318 8.679 -21.243 1.00 0.00 N ATOM 926 CA GLY B 28 -0.060 8.362 -21.899 1.00 0.00 C ATOM 927 C GLY B 28 0.714 7.301 -21.115 1.00 0.00 C ATOM 928 O GLY B 28 1.743 6.812 -21.578 1.00 0.00 O ATOM 0 HA2 GLY B 28 -0.253 8.004 -22.910 1.00 0.00 H new ATOM 0 HA3 GLY B 28 0.544 9.265 -21.991 1.00 0.00 H new ATOM 932 N TYR B 29 0.192 6.979 -19.942 1.00 0.00 N ATOM 933 CA TYR B 29 0.822 5.986 -19.090 1.00 0.00 C ATOM 934 C TYR B 29 0.183 4.609 -19.287 1.00 0.00 C ATOM 935 O TYR B 29 -0.840 4.303 -18.676 1.00 0.00 O ATOM 936 CB TYR B 29 0.576 6.447 -17.652 1.00 0.00 C ATOM 937 CG TYR B 29 1.660 6.009 -16.663 1.00 0.00 C ATOM 938 CD1 TYR B 29 1.602 4.756 -16.088 1.00 0.00 C ATOM 939 CD2 TYR B 29 2.694 6.866 -16.350 1.00 0.00 C ATOM 940 CE1 TYR B 29 2.622 4.343 -15.159 1.00 0.00 C ATOM 941 CE2 TYR B 29 3.713 6.453 -15.421 1.00 0.00 C ATOM 942 CZ TYR B 29 3.627 5.213 -14.871 1.00 0.00 C ATOM 943 OH TYR B 29 4.591 4.823 -13.993 1.00 0.00 O ATOM 0 H TYR B 29 -0.661 7.388 -19.561 1.00 0.00 H new ATOM 0 HA TYR B 29 1.883 5.896 -19.325 1.00 0.00 H new ATOM 0 HB2 TYR B 29 0.503 7.534 -17.637 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -0.386 6.059 -17.316 1.00 0.00 H new ATOM 0 HD1 TYR B 29 0.792 4.085 -16.334 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.739 7.846 -16.801 1.00 0.00 H new ATOM 0 HE1 TYR B 29 2.590 3.365 -14.702 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.528 7.114 -15.167 1.00 0.00 H new ATOM 0 HH TYR B 29 5.245 5.545 -13.884 1.00 0.00 H new ATOM 952 N LYS B 30 0.813 3.816 -20.142 1.00 0.00 N ATOM 953 CA LYS B 30 0.319 2.482 -20.428 1.00 0.00 C ATOM 954 C LYS B 30 1.297 1.449 -19.866 1.00 0.00 C ATOM 955 O LYS B 30 2.446 1.376 -20.299 1.00 0.00 O ATOM 956 CB LYS B 30 0.047 2.319 -21.925 1.00 0.00 C ATOM 957 CG LYS B 30 -1.395 1.867 -22.175 1.00 0.00 C ATOM 958 CD LYS B 30 -1.606 1.498 -23.645 1.00 0.00 C ATOM 959 CE LYS B 30 -2.486 0.253 -23.775 1.00 0.00 C ATOM 960 NZ LYS B 30 -3.177 0.241 -25.083 1.00 0.00 N ATOM 0 H LYS B 30 1.662 4.073 -20.646 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.639 2.318 -19.934 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.229 3.264 -22.436 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.739 1.590 -22.347 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.626 1.009 -21.544 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -2.084 2.664 -21.894 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.070 2.333 -24.171 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.642 1.318 -24.121 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.875 -0.644 -23.672 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.220 0.233 -22.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.770 -0.610 -25.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.775 1.088 -25.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.472 0.238 -25.848 1.00 0.00 H new ATOM 969 N CYS B 31 0.807 0.675 -18.909 1.00 0.00 N ATOM 970 CA CYS B 31 1.625 -0.351 -18.283 1.00 0.00 C ATOM 971 C CYS B 31 0.905 -1.693 -18.425 1.00 0.00 C ATOM 972 O CYS B 31 -0.150 -1.901 -17.826 1.00 0.00 O ATOM 973 CB CYS B 31 1.928 -0.017 -16.820 1.00 0.00 C ATOM 974 SG CYS B 31 2.624 -1.401 -15.846 1.00 0.00 S ATOM 0 H CYS B 31 -0.146 0.737 -18.551 1.00 0.00 H new ATOM 0 HA CYS B 31 2.592 -0.405 -18.783 1.00 0.00 H new ATOM 0 HB2 CYS B 31 2.628 0.818 -16.790 1.00 0.00 H new ATOM 0 HB3 CYS B 31 1.009 0.320 -16.341 1.00 0.00 H new ATOM 978 N GLU B 32 1.502 -2.568 -19.219 1.00 0.00 N ATOM 979 CA GLU B 32 0.930 -3.884 -19.447 1.00 0.00 C ATOM 980 C GLU B 32 1.802 -4.961 -18.796 1.00 0.00 C ATOM 981 O GLU B 32 3.009 -5.011 -19.024 1.00 0.00 O ATOM 982 CB GLU B 32 0.753 -4.153 -20.942 1.00 0.00 C ATOM 983 CG GLU B 32 -0.232 -5.299 -21.180 1.00 0.00 C ATOM 984 CD GLU B 32 -1.309 -4.896 -22.189 1.00 0.00 C ATOM 985 OE1 GLU B 32 -1.073 -4.016 -23.030 1.00 0.00 O ATOM 986 OE2 GLU B 32 -2.426 -5.532 -22.078 1.00 0.00 O ATOM 0 H GLU B 32 2.377 -2.392 -19.713 1.00 0.00 H new ATOM 0 HA GLU B 32 -0.057 -3.915 -18.986 1.00 0.00 H new ATOM 0 HB2 GLU B 32 0.394 -3.251 -21.437 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.717 -4.399 -21.388 1.00 0.00 H new ATOM 0 HG2 GLU B 32 0.305 -6.174 -21.546 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.700 -5.583 -20.237 1.00 0.00 H new ATOM 992 N ILE B 33 1.153 -5.797 -17.998 1.00 0.00 N ATOM 993 CA ILE B 33 1.854 -6.869 -17.312 1.00 0.00 C ATOM 994 C ILE B 33 1.061 -8.169 -17.464 1.00 0.00 C ATOM 995 O ILE B 33 -0.026 -8.307 -16.903 1.00 0.00 O ATOM 996 CB ILE B 33 2.132 -6.484 -15.857 1.00 0.00 C ATOM 997 CG1 ILE B 33 3.003 -5.229 -15.779 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.745 -7.655 -15.086 1.00 0.00 C ATOM 999 CD1 ILE B 33 2.903 -4.577 -14.398 1.00 0.00 C ATOM 0 H ILE B 33 0.151 -5.754 -17.812 1.00 0.00 H new ATOM 0 HA ILE B 33 2.831 -7.036 -17.765 1.00 0.00 H new ATOM 0 HB ILE B 33 1.181 -6.247 -15.380 1.00 0.00 H new ATOM 0 HG12 ILE B 33 4.041 -5.489 -15.988 1.00 0.00 H new ATOM 0 HG13 ILE B 33 2.692 -4.518 -16.544 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.932 -7.354 -14.055 1.00 0.00 H new ATOM 0 HG22 ILE B 33 2.056 -8.499 -15.098 1.00 0.00 H new ATOM 0 HG23 ILE B 33 3.685 -7.947 -15.555 1.00 0.00 H new ATOM 0 HD11 ILE B 33 3.532 -3.687 -14.369 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.868 -4.297 -14.202 1.00 0.00 H new ATOM 0 HD13 ILE B 33 3.238 -5.282 -13.638 1.00 0.00 H new ATOM 1010 N LEU B 34 1.634 -9.091 -18.223 1.00 0.00 N ATOM 1011 CA LEU B 34 0.995 -10.373 -18.456 1.00 0.00 C ATOM 1012 C LEU B 34 1.890 -11.490 -17.914 1.00 0.00 C ATOM 1013 O LEU B 34 3.113 -11.409 -18.004 1.00 0.00 O ATOM 1014 CB LEU B 34 0.638 -10.535 -19.936 1.00 0.00 C ATOM 1015 CG LEU B 34 1.792 -10.919 -20.865 1.00 0.00 C ATOM 1016 CD1 LEU B 34 2.989 -9.990 -20.664 1.00 0.00 C ATOM 1017 CD2 LEU B 34 2.170 -12.391 -20.689 1.00 0.00 C ATOM 0 H LEU B 34 2.536 -8.975 -18.685 1.00 0.00 H new ATOM 0 HA LEU B 34 0.050 -10.430 -17.916 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.139 -11.295 -20.021 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.208 -9.598 -20.291 1.00 0.00 H new ATOM 0 HG LEU B 34 1.459 -10.794 -21.895 1.00 0.00 H new ATOM 0 HD11 LEU B 34 3.795 -10.285 -21.336 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.693 -8.963 -20.880 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.334 -10.059 -19.632 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.992 -12.638 -21.360 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.478 -12.567 -19.658 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.310 -13.018 -20.923 1.00 0.00 H new ATOM 1028 N ALA B 35 1.244 -12.507 -17.362 1.00 0.00 N ATOM 1029 CA ALA B 35 1.966 -13.639 -16.806 1.00 0.00 C ATOM 1030 C ALA B 35 1.234 -14.934 -17.167 1.00 0.00 C ATOM 1031 O ALA B 35 0.004 -14.976 -17.165 1.00 0.00 O ATOM 1032 CB ALA B 35 2.115 -13.456 -15.294 1.00 0.00 C ATOM 0 H ALA B 35 0.229 -12.571 -17.288 1.00 0.00 H new ATOM 0 HA ALA B 35 2.969 -13.699 -17.228 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.656 -14.305 -14.876 1.00 0.00 H new ATOM 0 HB2 ALA B 35 2.667 -12.538 -15.091 1.00 0.00 H new ATOM 0 HB3 ALA B 35 1.128 -13.394 -14.836 1.00 0.00 H new