USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -12.9! C(o=-13!,f=-14!) USER MOD Set 1.2: A 30 TYR OH : rot 120:sc= -0.551 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.6) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00851) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.2!) USER MOD Single : A 40 CYS SG : rot 48:sc= 0.0423 USER MOD Single : A 42 THR OG1 : rot -132:sc= 1.23 USER MOD Single : A 47 TYR OH : rot -57:sc= -7.84! USER MOD Single : A 55 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.68) USER MOD Single : A 58 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.43) USER MOD Single : A 59 SER OG : rot -38:sc= -0.73 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -3.89 K(o=-3.9,f=-6.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 98:sc= -0.105 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -53:sc= 0.414 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.874 4.103 9.067 1.00 0.00 N ATOM 26 CA LYS A 2 -3.622 4.762 8.615 1.00 0.00 C ATOM 27 C LYS A 2 -2.607 3.696 8.189 1.00 0.00 C ATOM 28 O LYS A 2 -2.618 2.579 8.667 1.00 0.00 O ATOM 29 CB LYS A 2 -3.077 5.633 9.764 1.00 0.00 C ATOM 30 CG LYS A 2 -1.683 5.173 10.219 1.00 0.00 C ATOM 31 CD LYS A 2 -1.039 6.265 11.075 1.00 0.00 C ATOM 32 CE LYS A 2 0.045 6.977 10.264 1.00 0.00 C ATOM 33 NZ LYS A 2 1.346 6.885 10.984 1.00 0.00 N ATOM 0 HA LYS A 2 -3.815 5.402 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.029 6.673 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.766 5.594 10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.762 4.248 10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.058 4.960 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.795 6.981 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.607 5.828 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.131 6.524 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.226 8.022 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.083 7.369 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.259 7.336 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.605 5.885 11.106 1.00 0.00 H new ATOM 47 N ALA A 3 -1.730 4.045 7.295 1.00 0.00 N ATOM 48 CA ALA A 3 -0.704 3.072 6.828 1.00 0.00 C ATOM 49 C ALA A 3 0.666 3.754 6.764 1.00 0.00 C ATOM 50 O ALA A 3 0.772 4.964 6.770 1.00 0.00 O ATOM 51 CB ALA A 3 -1.083 2.555 5.439 1.00 0.00 C ATOM 0 H ALA A 3 -1.678 4.968 6.864 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.658 2.237 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.331 1.843 5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.054 2.062 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.134 3.391 4.741 1.00 0.00 H new ATOM 57 N VAL A 4 1.715 2.978 6.705 1.00 0.00 N ATOM 58 CA VAL A 4 3.085 3.560 6.644 1.00 0.00 C ATOM 59 C VAL A 4 4.002 2.598 5.893 1.00 0.00 C ATOM 60 O VAL A 4 4.201 1.472 6.305 1.00 0.00 O ATOM 61 CB VAL A 4 3.616 3.754 8.064 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.067 4.243 8.008 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.749 4.785 8.791 1.00 0.00 C ATOM 0 H VAL A 4 1.680 1.959 6.696 1.00 0.00 H new ATOM 0 HA VAL A 4 3.054 4.521 6.130 1.00 0.00 H new ATOM 0 HB VAL A 4 3.580 2.806 8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.444 4.381 9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.680 3.505 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.111 5.191 7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.124 4.926 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.785 5.733 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.719 4.430 8.832 1.00 0.00 H new ATOM 73 N ILE A 5 4.563 3.021 4.795 1.00 0.00 N ATOM 74 CA ILE A 5 5.462 2.106 4.037 1.00 0.00 C ATOM 75 C ILE A 5 6.919 2.425 4.366 1.00 0.00 C ATOM 76 O ILE A 5 7.516 3.320 3.802 1.00 0.00 O ATOM 77 CB ILE A 5 5.223 2.273 2.539 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.704 2.182 2.274 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.997 1.180 1.785 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.370 1.097 1.238 1.00 0.00 C ATOM 0 H ILE A 5 4.440 3.950 4.393 1.00 0.00 H new ATOM 0 HA ILE A 5 5.248 1.076 4.321 1.00 0.00 H new ATOM 0 HB ILE A 5 5.579 3.241 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.184 1.966 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.338 3.146 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.832 1.291 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.061 1.274 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.647 0.199 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.292 1.065 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.868 1.327 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.712 0.128 1.602 1.00 0.00 H new ATOM 92 N ASN A 6 7.495 1.693 5.278 1.00 0.00 N ATOM 93 CA ASN A 6 8.911 1.939 5.653 1.00 0.00 C ATOM 94 C ASN A 6 9.825 1.169 4.695 1.00 0.00 C ATOM 95 O ASN A 6 10.035 -0.019 4.841 1.00 0.00 O ATOM 96 CB ASN A 6 9.135 1.456 7.086 1.00 0.00 C ATOM 97 CG ASN A 6 8.672 2.534 8.067 1.00 0.00 C ATOM 98 OD1 ASN A 6 9.419 3.436 8.393 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.464 2.479 8.556 1.00 0.00 N ATOM 0 H ASN A 6 7.041 0.931 5.782 1.00 0.00 H new ATOM 0 HA ASN A 6 9.138 3.003 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.585 0.531 7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.190 1.234 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.146 3.193 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.837 1.722 8.283 1.00 0.00 H new ATOM 106 N GLY A 7 10.361 1.836 3.709 1.00 0.00 N ATOM 107 CA GLY A 7 11.252 1.145 2.732 1.00 0.00 C ATOM 108 C GLY A 7 12.499 0.615 3.443 1.00 0.00 C ATOM 109 O GLY A 7 13.164 -0.281 2.962 1.00 0.00 O ATOM 0 H GLY A 7 10.220 2.832 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.717 0.322 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.541 1.836 1.940 1.00 0.00 H new ATOM 113 N GLU A 8 12.826 1.160 4.582 1.00 0.00 N ATOM 114 CA GLU A 8 14.034 0.684 5.313 1.00 0.00 C ATOM 115 C GLU A 8 13.847 -0.781 5.715 1.00 0.00 C ATOM 116 O GLU A 8 14.801 -1.516 5.878 1.00 0.00 O ATOM 117 CB GLU A 8 14.238 1.533 6.569 1.00 0.00 C ATOM 118 CG GLU A 8 15.409 2.494 6.352 1.00 0.00 C ATOM 119 CD GLU A 8 15.703 3.242 7.654 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.773 3.786 8.225 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.854 3.257 8.057 1.00 0.00 O ATOM 0 H GLU A 8 12.310 1.913 5.038 1.00 0.00 H new ATOM 0 HA GLU A 8 14.906 0.774 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.331 2.094 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.436 0.890 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.292 1.942 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.170 3.203 5.559 1.00 0.00 H new ATOM 128 N GLN A 9 12.626 -1.209 5.888 1.00 0.00 N ATOM 129 CA GLN A 9 12.382 -2.620 6.292 1.00 0.00 C ATOM 130 C GLN A 9 12.010 -3.463 5.071 1.00 0.00 C ATOM 131 O GLN A 9 12.412 -4.603 4.949 1.00 0.00 O ATOM 132 CB GLN A 9 11.234 -2.651 7.300 1.00 0.00 C ATOM 133 CG GLN A 9 11.613 -1.822 8.526 1.00 0.00 C ATOM 134 CD GLN A 9 10.422 -1.750 9.483 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.743 -0.745 9.551 1.00 0.00 O ATOM 136 NE2 GLN A 9 10.137 -2.781 10.230 1.00 0.00 N ATOM 0 H GLN A 9 11.788 -0.641 5.767 1.00 0.00 H new ATOM 0 HA GLN A 9 13.287 -3.031 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.326 -2.255 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.021 -3.679 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.471 -2.269 9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.909 -0.818 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.707 -3.625 10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.344 -2.743 10.871 1.00 0.00 H new ATOM 145 N ILE A 10 11.230 -2.921 4.177 1.00 0.00 N ATOM 146 CA ILE A 10 10.816 -3.699 2.976 1.00 0.00 C ATOM 147 C ILE A 10 11.991 -4.503 2.424 1.00 0.00 C ATOM 148 O ILE A 10 13.060 -3.983 2.174 1.00 0.00 O ATOM 149 CB ILE A 10 10.302 -2.753 1.888 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.955 -2.182 2.313 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.124 -3.534 0.582 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.915 -3.294 2.298 1.00 0.00 C ATOM 0 H ILE A 10 10.861 -1.971 4.227 1.00 0.00 H new ATOM 0 HA ILE A 10 10.022 -4.384 3.273 1.00 0.00 H new ATOM 0 HB ILE A 10 11.017 -1.943 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.028 -1.749 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.657 -1.379 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.758 -2.864 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.082 -3.955 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.405 -4.339 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.948 -2.892 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.837 -3.706 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.214 -4.081 2.990 1.00 0.00 H new ATOM 164 N ARG A 11 11.780 -5.770 2.212 1.00 0.00 N ATOM 165 CA ARG A 11 12.847 -6.634 1.654 1.00 0.00 C ATOM 166 C ARG A 11 12.481 -6.980 0.208 1.00 0.00 C ATOM 167 O ARG A 11 13.288 -7.481 -0.549 1.00 0.00 O ATOM 168 CB ARG A 11 12.932 -7.916 2.478 1.00 0.00 C ATOM 169 CG ARG A 11 13.713 -7.650 3.766 1.00 0.00 C ATOM 170 CD ARG A 11 13.144 -8.514 4.893 1.00 0.00 C ATOM 171 NE ARG A 11 13.133 -7.735 6.162 1.00 0.00 N ATOM 172 CZ ARG A 11 12.418 -8.147 7.173 1.00 0.00 C ATOM 173 NH1 ARG A 11 11.134 -8.333 7.031 1.00 0.00 N ATOM 174 NH2 ARG A 11 12.987 -8.373 8.326 1.00 0.00 N ATOM 0 H ARG A 11 10.900 -6.248 2.405 1.00 0.00 H new ATOM 0 HA ARG A 11 13.808 -6.120 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 11 11.930 -8.274 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.421 -8.700 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.769 -7.876 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.647 -6.595 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.133 -8.836 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.745 -9.415 5.013 1.00 0.00 H new ATOM 0 HE ARG A 11 13.684 -6.880 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.690 -8.156 6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.575 -8.655 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.990 -8.228 8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.428 -8.695 9.116 1.00 0.00 H new ATOM 188 N SER A 12 11.258 -6.714 -0.174 1.00 0.00 N ATOM 189 CA SER A 12 10.815 -7.019 -1.561 1.00 0.00 C ATOM 190 C SER A 12 9.353 -6.590 -1.727 1.00 0.00 C ATOM 191 O SER A 12 8.745 -6.045 -0.821 1.00 0.00 O ATOM 192 CB SER A 12 10.940 -8.521 -1.820 1.00 0.00 C ATOM 193 OG SER A 12 11.740 -8.733 -2.975 1.00 0.00 O ATOM 0 H SER A 12 10.545 -6.295 0.423 1.00 0.00 H new ATOM 0 HA SER A 12 11.439 -6.479 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.388 -9.014 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.953 -8.961 -1.962 1.00 0.00 H new ATOM 0 HG SER A 12 11.824 -9.695 -3.143 1.00 0.00 H new ATOM 199 N ILE A 13 8.777 -6.834 -2.871 1.00 0.00 N ATOM 200 CA ILE A 13 7.359 -6.437 -3.076 1.00 0.00 C ATOM 201 C ILE A 13 6.489 -7.175 -2.064 1.00 0.00 C ATOM 202 O ILE A 13 5.666 -6.583 -1.398 1.00 0.00 O ATOM 203 CB ILE A 13 6.916 -6.793 -4.496 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.530 -6.197 -4.771 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.847 -8.312 -4.636 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.459 -4.759 -4.241 1.00 0.00 C ATOM 0 H ILE A 13 9.224 -7.288 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 13 7.257 -5.361 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 13 7.632 -6.387 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.327 -6.208 -5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.762 -6.807 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.532 -8.570 -5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.830 -8.740 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.130 -8.711 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.471 -4.346 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.641 -4.758 -3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.214 -4.150 -4.738 1.00 0.00 H new ATOM 218 N SER A 14 6.674 -8.460 -1.923 1.00 0.00 N ATOM 219 CA SER A 14 5.862 -9.212 -0.931 1.00 0.00 C ATOM 220 C SER A 14 5.897 -8.439 0.382 1.00 0.00 C ATOM 221 O SER A 14 4.890 -8.239 1.030 1.00 0.00 O ATOM 222 CB SER A 14 6.466 -10.598 -0.722 1.00 0.00 C ATOM 223 OG SER A 14 6.185 -11.412 -1.854 1.00 0.00 O ATOM 0 H SER A 14 7.348 -9.016 -2.449 1.00 0.00 H new ATOM 0 HA SER A 14 4.836 -9.324 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.543 -10.519 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.055 -11.054 0.179 1.00 0.00 H new ATOM 0 HG SER A 14 6.574 -12.302 -1.722 1.00 0.00 H new ATOM 229 N ASP A 15 7.060 -7.992 0.763 1.00 0.00 N ATOM 230 CA ASP A 15 7.193 -7.214 2.017 1.00 0.00 C ATOM 231 C ASP A 15 6.302 -5.978 1.935 1.00 0.00 C ATOM 232 O ASP A 15 5.601 -5.638 2.866 1.00 0.00 O ATOM 233 CB ASP A 15 8.645 -6.773 2.182 1.00 0.00 C ATOM 234 CG ASP A 15 9.206 -7.335 3.489 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.996 -8.510 3.744 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.836 -6.582 4.214 1.00 0.00 O ATOM 0 H ASP A 15 7.931 -8.136 0.251 1.00 0.00 H new ATOM 0 HA ASP A 15 6.895 -7.829 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.240 -7.123 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.707 -5.685 2.186 1.00 0.00 H new ATOM 241 N LEU A 16 6.321 -5.305 0.818 1.00 0.00 N ATOM 242 CA LEU A 16 5.473 -4.093 0.660 1.00 0.00 C ATOM 243 C LEU A 16 4.027 -4.457 0.984 1.00 0.00 C ATOM 244 O LEU A 16 3.350 -3.783 1.738 1.00 0.00 O ATOM 245 CB LEU A 16 5.578 -3.612 -0.784 1.00 0.00 C ATOM 246 CG LEU A 16 5.146 -2.149 -0.876 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.928 -1.321 0.145 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.437 -1.620 -2.281 1.00 0.00 C ATOM 0 H LEU A 16 6.890 -5.544 0.006 1.00 0.00 H new ATOM 0 HA LEU A 16 5.804 -3.302 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.603 -3.721 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.950 -4.227 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 16 4.079 -2.073 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.620 -0.277 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.727 -1.696 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.995 -1.398 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.129 -0.576 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.505 -1.697 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.884 -2.209 -3.013 1.00 0.00 H new ATOM 260 N HIS A 17 3.560 -5.531 0.423 1.00 0.00 N ATOM 261 CA HIS A 17 2.176 -5.979 0.679 1.00 0.00 C ATOM 262 C HIS A 17 2.064 -6.453 2.130 1.00 0.00 C ATOM 263 O HIS A 17 1.005 -6.444 2.720 1.00 0.00 O ATOM 264 CB HIS A 17 1.869 -7.120 -0.289 1.00 0.00 C ATOM 265 CG HIS A 17 2.083 -6.628 -1.693 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.406 -5.528 -2.199 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.902 -7.062 -2.706 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.825 -5.340 -3.463 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.736 -6.247 -3.822 1.00 0.00 N ATOM 0 H HIS A 17 4.091 -6.126 -0.213 1.00 0.00 H new ATOM 0 HA HIS A 17 1.463 -5.169 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.515 -7.974 -0.085 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.841 -7.460 -0.160 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.716 -4.964 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.572 -7.907 -2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.468 -4.551 -4.109 1.00 0.00 H new ATOM 277 N GLN A 18 3.157 -6.851 2.718 1.00 0.00 N ATOM 278 CA GLN A 18 3.113 -7.304 4.127 1.00 0.00 C ATOM 279 C GLN A 18 2.751 -6.113 5.013 1.00 0.00 C ATOM 280 O GLN A 18 1.797 -6.148 5.769 1.00 0.00 O ATOM 281 CB GLN A 18 4.483 -7.847 4.533 1.00 0.00 C ATOM 282 CG GLN A 18 4.333 -9.280 5.048 1.00 0.00 C ATOM 283 CD GLN A 18 5.015 -10.245 4.077 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.209 -10.459 4.153 1.00 0.00 O ATOM 285 NE2 GLN A 18 4.303 -10.842 3.161 1.00 0.00 N ATOM 0 H GLN A 18 4.078 -6.881 2.280 1.00 0.00 H new ATOM 0 HA GLN A 18 2.369 -8.092 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.162 -7.825 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.922 -7.216 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.778 -9.370 6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.278 -9.533 5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.301 -10.663 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.748 -11.488 2.509 1.00 0.00 H new ATOM 294 N THR A 19 3.506 -5.053 4.919 1.00 0.00 N ATOM 295 CA THR A 19 3.209 -3.860 5.744 1.00 0.00 C ATOM 296 C THR A 19 1.823 -3.336 5.357 1.00 0.00 C ATOM 297 O THR A 19 1.038 -2.954 6.198 1.00 0.00 O ATOM 298 CB THR A 19 4.301 -2.789 5.519 1.00 0.00 C ATOM 299 OG1 THR A 19 4.958 -2.535 6.753 1.00 0.00 O ATOM 300 CG2 THR A 19 3.696 -1.476 5.004 1.00 0.00 C ATOM 0 H THR A 19 4.315 -4.966 4.304 1.00 0.00 H new ATOM 0 HA THR A 19 3.207 -4.114 6.804 1.00 0.00 H new ATOM 0 HB THR A 19 5.002 -3.164 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.654 -1.858 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.489 -0.743 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.187 -1.657 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.981 -1.094 5.733 1.00 0.00 H new ATOM 308 N LEU A 20 1.516 -3.326 4.089 1.00 0.00 N ATOM 309 CA LEU A 20 0.189 -2.845 3.654 1.00 0.00 C ATOM 310 C LEU A 20 -0.875 -3.715 4.315 1.00 0.00 C ATOM 311 O LEU A 20 -1.951 -3.281 4.639 1.00 0.00 O ATOM 312 CB LEU A 20 0.091 -2.982 2.139 1.00 0.00 C ATOM 313 CG LEU A 20 0.999 -1.952 1.465 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.934 -2.133 -0.052 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.536 -0.539 1.834 1.00 0.00 C ATOM 0 H LEU A 20 2.134 -3.633 3.338 1.00 0.00 H new ATOM 0 HA LEU A 20 0.045 -1.802 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.380 -3.988 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.940 -2.837 1.818 1.00 0.00 H new ATOM 0 HG LEU A 20 2.025 -2.095 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.581 -1.400 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.267 -3.138 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.092 -1.991 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.184 0.194 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.490 -0.393 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.584 -0.411 2.915 1.00 0.00 H new ATOM 327 N LYS A 21 -0.554 -4.950 4.508 1.00 0.00 N ATOM 328 CA LYS A 21 -1.499 -5.909 5.144 1.00 0.00 C ATOM 329 C LYS A 21 -1.689 -5.550 6.616 1.00 0.00 C ATOM 330 O LYS A 21 -2.791 -5.525 7.120 1.00 0.00 O ATOM 331 CB LYS A 21 -0.913 -7.317 5.044 1.00 0.00 C ATOM 332 CG LYS A 21 -1.942 -8.341 5.525 1.00 0.00 C ATOM 333 CD LYS A 21 -1.446 -8.992 6.817 1.00 0.00 C ATOM 334 CE LYS A 21 -2.643 -9.452 7.650 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.394 -10.830 8.162 1.00 0.00 N ATOM 0 H LYS A 21 0.346 -5.353 4.247 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.462 -5.864 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.628 -7.530 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.007 -7.388 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.903 -7.855 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.100 -9.101 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.803 -9.841 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.845 -8.283 7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.805 -8.767 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.549 -9.436 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.229 -11.162 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.210 -11.469 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.569 -10.821 8.795 1.00 0.00 H new ATOM 349 N LYS A 22 -0.624 -5.277 7.313 1.00 0.00 N ATOM 350 CA LYS A 22 -0.748 -4.923 8.747 1.00 0.00 C ATOM 351 C LYS A 22 -1.577 -3.652 8.877 1.00 0.00 C ATOM 352 O LYS A 22 -2.575 -3.603 9.570 1.00 0.00 O ATOM 353 CB LYS A 22 0.641 -4.663 9.321 1.00 0.00 C ATOM 354 CG LYS A 22 1.135 -5.909 10.059 1.00 0.00 C ATOM 355 CD LYS A 22 0.688 -5.847 11.521 1.00 0.00 C ATOM 356 CE LYS A 22 1.230 -4.571 12.167 1.00 0.00 C ATOM 357 NZ LYS A 22 1.881 -4.908 13.464 1.00 0.00 N ATOM 0 H LYS A 22 0.328 -5.284 6.948 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.228 -5.740 9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.334 -4.404 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.610 -3.813 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.739 -6.807 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.222 -5.971 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.400 -5.863 11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.050 -6.722 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.948 -4.091 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.420 -3.860 12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.250 -4.040 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.184 -5.348 14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.665 -5.571 13.297 1.00 0.00 H new ATOM 371 N GLU A 23 -1.155 -2.624 8.207 1.00 0.00 N ATOM 372 CA GLU A 23 -1.872 -1.332 8.254 1.00 0.00 C ATOM 373 C GLU A 23 -3.302 -1.529 7.761 1.00 0.00 C ATOM 374 O GLU A 23 -4.259 -1.390 8.496 1.00 0.00 O ATOM 375 CB GLU A 23 -1.140 -0.360 7.336 1.00 0.00 C ATOM 376 CG GLU A 23 0.262 -0.109 7.891 1.00 0.00 C ATOM 377 CD GLU A 23 0.168 0.747 9.156 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.379 0.265 10.134 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.646 1.869 9.125 1.00 0.00 O ATOM 0 H GLU A 23 -0.324 -2.627 7.616 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.902 -0.943 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.078 -0.769 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.690 0.578 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.750 -1.057 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.875 0.395 7.144 1.00 0.00 H new ATOM 386 N LEU A 24 -3.438 -1.863 6.514 1.00 0.00 N ATOM 387 CA LEU A 24 -4.779 -2.093 5.926 1.00 0.00 C ATOM 388 C LEU A 24 -5.487 -3.216 6.688 1.00 0.00 C ATOM 389 O LEU A 24 -6.674 -3.426 6.537 1.00 0.00 O ATOM 390 CB LEU A 24 -4.599 -2.500 4.463 1.00 0.00 C ATOM 391 CG LEU A 24 -3.920 -1.362 3.698 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.915 -1.945 2.704 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.972 -0.553 2.939 1.00 0.00 C ATOM 0 H LEU A 24 -2.661 -1.989 5.865 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.380 -1.186 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.997 -3.406 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.567 -2.727 4.016 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.402 -0.712 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.431 -1.135 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.162 -2.520 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.435 -2.596 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.486 0.257 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.492 -1.202 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.690 -0.136 3.645 1.00 0.00 H new ATOM 405 N ALA A 25 -4.769 -3.944 7.503 1.00 0.00 N ATOM 406 CA ALA A 25 -5.404 -5.048 8.263 1.00 0.00 C ATOM 407 C ALA A 25 -6.106 -5.994 7.290 1.00 0.00 C ATOM 408 O ALA A 25 -7.236 -6.391 7.493 1.00 0.00 O ATOM 409 CB ALA A 25 -6.410 -4.455 9.240 1.00 0.00 C ATOM 0 H ALA A 25 -3.771 -3.818 7.672 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.650 -5.609 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.884 -5.257 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.897 -3.781 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.170 -3.901 8.689 1.00 0.00 H new ATOM 415 N LEU A 26 -5.430 -6.365 6.238 1.00 0.00 N ATOM 416 CA LEU A 26 -6.034 -7.296 5.243 1.00 0.00 C ATOM 417 C LEU A 26 -6.159 -8.679 5.887 1.00 0.00 C ATOM 418 O LEU A 26 -5.552 -8.934 6.908 1.00 0.00 O ATOM 419 CB LEU A 26 -5.120 -7.380 4.015 1.00 0.00 C ATOM 420 CG LEU A 26 -4.718 -5.972 3.566 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.631 -6.071 2.497 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.937 -5.256 2.983 1.00 0.00 C ATOM 0 H LEU A 26 -4.480 -6.062 6.023 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.017 -6.939 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.230 -7.963 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.633 -7.897 3.204 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.340 -5.412 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.344 -5.070 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.762 -6.584 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.011 -6.631 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.652 -4.254 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.313 -5.817 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.716 -5.187 3.742 1.00 0.00 H new ATOM 434 N PRO A 27 -6.937 -9.537 5.279 1.00 0.00 N ATOM 435 CA PRO A 27 -7.135 -10.899 5.798 1.00 0.00 C ATOM 436 C PRO A 27 -5.791 -11.627 5.840 1.00 0.00 C ATOM 437 O PRO A 27 -4.772 -11.086 5.457 1.00 0.00 O ATOM 438 CB PRO A 27 -8.092 -11.567 4.802 1.00 0.00 C ATOM 439 CG PRO A 27 -8.476 -10.506 3.738 1.00 0.00 C ATOM 440 CD PRO A 27 -7.676 -9.230 4.041 1.00 0.00 C ATOM 0 HA PRO A 27 -7.540 -10.914 6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.616 -12.427 4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.981 -11.936 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.250 -10.870 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.546 -10.303 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.997 -8.985 3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.335 -8.372 4.175 1.00 0.00 H new ATOM 448 N GLU A 28 -5.773 -12.846 6.298 1.00 0.00 N ATOM 449 CA GLU A 28 -4.486 -13.592 6.356 1.00 0.00 C ATOM 450 C GLU A 28 -4.156 -14.128 4.965 1.00 0.00 C ATOM 451 O GLU A 28 -3.041 -14.522 4.687 1.00 0.00 O ATOM 452 CB GLU A 28 -4.620 -14.760 7.329 1.00 0.00 C ATOM 453 CG GLU A 28 -4.866 -14.226 8.742 1.00 0.00 C ATOM 454 CD GLU A 28 -5.343 -15.365 9.644 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.545 -16.245 9.925 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.497 -15.339 10.039 1.00 0.00 O ATOM 0 H GLU A 28 -6.590 -13.357 6.633 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.691 -12.927 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.443 -15.407 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.715 -15.367 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.950 -13.791 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.612 -13.432 8.717 1.00 0.00 H new ATOM 463 N TYR A 29 -5.120 -14.141 4.089 1.00 0.00 N ATOM 464 CA TYR A 29 -4.870 -14.648 2.713 1.00 0.00 C ATOM 465 C TYR A 29 -4.648 -13.463 1.772 1.00 0.00 C ATOM 466 O TYR A 29 -4.672 -13.604 0.565 1.00 0.00 O ATOM 467 CB TYR A 29 -6.081 -15.455 2.240 1.00 0.00 C ATOM 468 CG TYR A 29 -7.347 -14.751 2.665 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.876 -13.724 1.875 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.990 -15.124 3.852 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.048 -13.069 2.271 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.163 -14.470 4.247 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.692 -13.442 3.457 1.00 0.00 C ATOM 474 OH TYR A 29 -10.848 -12.797 3.847 1.00 0.00 O ATOM 0 H TYR A 29 -6.072 -13.822 4.267 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.986 -15.286 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.059 -15.564 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.051 -16.459 2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.380 -13.437 0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.581 -15.916 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.456 -12.276 1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.660 -14.758 5.161 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.166 -13.178 4.692 1.00 0.00 H new ATOM 484 N TYR A 30 -4.431 -12.293 2.313 1.00 0.00 N ATOM 485 CA TYR A 30 -4.208 -11.102 1.439 1.00 0.00 C ATOM 486 C TYR A 30 -3.245 -11.485 0.313 1.00 0.00 C ATOM 487 O TYR A 30 -2.104 -11.828 0.551 1.00 0.00 O ATOM 488 CB TYR A 30 -3.609 -9.952 2.265 1.00 0.00 C ATOM 489 CG TYR A 30 -2.955 -8.938 1.345 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.522 -8.653 0.097 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.778 -8.288 1.741 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.914 -7.721 -0.754 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.168 -7.353 0.890 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.737 -7.072 -0.358 1.00 0.00 C ATOM 495 OH TYR A 30 -1.140 -6.154 -1.198 1.00 0.00 O ATOM 0 H TYR A 30 -4.398 -12.110 3.316 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.158 -10.775 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.390 -9.471 2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.875 -10.343 2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.429 -9.152 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.339 -8.507 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.353 -7.502 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.262 -6.852 1.197 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.100 -5.281 -0.754 1.00 0.00 H new ATOM 505 N GLY A 31 -3.690 -11.423 -0.911 1.00 0.00 N ATOM 506 CA GLY A 31 -2.789 -11.778 -2.040 1.00 0.00 C ATOM 507 C GLY A 31 -1.540 -10.900 -1.974 1.00 0.00 C ATOM 508 O GLY A 31 -0.672 -11.104 -1.151 1.00 0.00 O ATOM 0 H GLY A 31 -4.634 -11.143 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.513 -12.831 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.302 -11.633 -2.991 1.00 0.00 H new ATOM 512 N GLU A 32 -1.455 -9.919 -2.831 1.00 0.00 N ATOM 513 CA GLU A 32 -0.273 -9.008 -2.831 1.00 0.00 C ATOM 514 C GLU A 32 -0.210 -8.281 -4.173 1.00 0.00 C ATOM 515 O GLU A 32 0.349 -7.214 -4.289 1.00 0.00 O ATOM 516 CB GLU A 32 1.017 -9.812 -2.643 1.00 0.00 C ATOM 517 CG GLU A 32 1.021 -11.003 -3.603 1.00 0.00 C ATOM 518 CD GLU A 32 1.068 -12.306 -2.805 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.146 -12.667 -2.360 1.00 0.00 O ATOM 520 OE2 GLU A 32 0.026 -12.923 -2.652 1.00 0.00 O ATOM 0 H GLU A 32 -2.160 -9.707 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.372 -8.294 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.884 -9.178 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.094 -10.161 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.129 -10.981 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.881 -10.942 -4.270 1.00 0.00 H new ATOM 527 N ASN A 33 -0.778 -8.858 -5.190 1.00 0.00 N ATOM 528 CA ASN A 33 -0.743 -8.199 -6.530 1.00 0.00 C ATOM 529 C ASN A 33 -1.588 -6.926 -6.499 1.00 0.00 C ATOM 530 O ASN A 33 -2.271 -6.644 -5.539 1.00 0.00 O ATOM 531 CB ASN A 33 -1.280 -9.143 -7.618 1.00 0.00 C ATOM 532 CG ASN A 33 -2.204 -10.200 -7.009 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.745 -11.202 -6.498 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.494 -10.020 -7.042 1.00 0.00 N ATOM 0 H ASN A 33 -1.264 -9.754 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 33 0.292 -7.950 -6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.822 -8.569 -8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.448 -9.630 -8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.117 -10.720 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.881 -9.179 -7.471 1.00 0.00 H new ATOM 541 N LEU A 34 -1.541 -6.156 -7.548 1.00 0.00 N ATOM 542 CA LEU A 34 -2.336 -4.894 -7.599 1.00 0.00 C ATOM 543 C LEU A 34 -3.824 -5.226 -7.570 1.00 0.00 C ATOM 544 O LEU A 34 -4.624 -4.523 -6.996 1.00 0.00 O ATOM 545 CB LEU A 34 -2.034 -4.183 -8.908 1.00 0.00 C ATOM 546 CG LEU A 34 -0.590 -3.683 -8.904 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.263 -3.057 -10.261 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.418 -2.634 -7.805 1.00 0.00 C ATOM 0 H LEU A 34 -0.982 -6.346 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.078 -4.266 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.191 -4.862 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.718 -3.345 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 34 0.084 -4.519 -8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.767 -2.700 -10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.386 -3.804 -11.045 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.936 -2.220 -10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.612 -2.277 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.092 -1.798 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.651 -3.079 -6.838 1.00 0.00 H new ATOM 560 N ASP A 35 -4.187 -6.284 -8.217 1.00 0.00 N ATOM 561 CA ASP A 35 -5.613 -6.698 -8.277 1.00 0.00 C ATOM 562 C ASP A 35 -6.126 -7.054 -6.884 1.00 0.00 C ATOM 563 O ASP A 35 -7.272 -6.821 -6.552 1.00 0.00 O ATOM 564 CB ASP A 35 -5.704 -7.941 -9.143 1.00 0.00 C ATOM 565 CG ASP A 35 -5.496 -7.568 -10.612 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.361 -7.317 -10.984 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.474 -7.540 -11.339 1.00 0.00 O ATOM 0 H ASP A 35 -3.545 -6.897 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.209 -5.880 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.952 -8.667 -8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.677 -8.415 -9.013 1.00 0.00 H new ATOM 572 N ALA A 36 -5.290 -7.630 -6.071 1.00 0.00 N ATOM 573 CA ALA A 36 -5.736 -8.018 -4.702 1.00 0.00 C ATOM 574 C ALA A 36 -5.703 -6.794 -3.815 1.00 0.00 C ATOM 575 O ALA A 36 -6.697 -6.386 -3.249 1.00 0.00 O ATOM 576 CB ALA A 36 -4.793 -9.066 -4.125 1.00 0.00 C ATOM 0 H ALA A 36 -4.319 -7.850 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.745 -8.428 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.126 -9.344 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.793 -9.948 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.784 -8.657 -4.071 1.00 0.00 H new ATOM 582 N LEU A 37 -4.558 -6.199 -3.711 1.00 0.00 N ATOM 583 CA LEU A 37 -4.422 -4.978 -2.882 1.00 0.00 C ATOM 584 C LEU A 37 -5.604 -4.071 -3.198 1.00 0.00 C ATOM 585 O LEU A 37 -6.305 -3.579 -2.327 1.00 0.00 O ATOM 586 CB LEU A 37 -3.119 -4.275 -3.261 1.00 0.00 C ATOM 587 CG LEU A 37 -3.171 -2.816 -2.803 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.192 -2.760 -1.275 1.00 0.00 C ATOM 589 CD2 LEU A 37 -1.941 -2.070 -3.326 1.00 0.00 C ATOM 0 H LEU A 37 -3.700 -6.508 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.406 -5.221 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.272 -4.782 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.968 -4.323 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.073 -2.346 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.229 -1.720 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.070 -3.288 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.292 -3.232 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.979 -1.031 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.038 -2.540 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.929 -2.107 -4.415 1.00 0.00 H new ATOM 601 N TRP A 38 -5.824 -3.862 -4.456 1.00 0.00 N ATOM 602 CA TRP A 38 -6.944 -3.016 -4.886 1.00 0.00 C ATOM 603 C TRP A 38 -8.224 -3.611 -4.359 1.00 0.00 C ATOM 604 O TRP A 38 -8.994 -2.969 -3.678 1.00 0.00 O ATOM 605 CB TRP A 38 -7.030 -2.997 -6.404 1.00 0.00 C ATOM 606 CG TRP A 38 -8.192 -2.155 -6.772 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.457 -2.593 -6.869 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.221 -0.738 -7.048 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.274 -1.526 -7.207 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.549 -0.355 -7.327 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.225 0.237 -7.086 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.874 0.966 -7.632 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.534 1.558 -7.385 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.860 1.932 -7.659 1.00 0.00 C ATOM 0 H TRP A 38 -5.263 -4.251 -5.214 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.793 -2.004 -4.511 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.113 -2.595 -6.835 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.150 -4.008 -6.794 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.784 -3.610 -6.710 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.282 -1.596 -7.349 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.201 -0.038 -6.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.896 1.241 -7.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.751 2.301 -7.407 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.097 2.960 -7.890 1.00 0.00 H new ATOM 625 N ASP A 39 -8.447 -4.847 -4.672 1.00 0.00 N ATOM 626 CA ASP A 39 -9.675 -5.521 -4.194 1.00 0.00 C ATOM 627 C ASP A 39 -9.858 -5.180 -2.720 1.00 0.00 C ATOM 628 O ASP A 39 -10.955 -5.168 -2.199 1.00 0.00 O ATOM 629 CB ASP A 39 -9.534 -7.033 -4.366 1.00 0.00 C ATOM 630 CG ASP A 39 -10.412 -7.501 -5.528 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.620 -7.519 -5.361 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.861 -7.834 -6.564 1.00 0.00 O ATOM 0 H ASP A 39 -7.828 -5.424 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.540 -5.187 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.493 -7.292 -4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.826 -7.543 -3.448 1.00 0.00 H new ATOM 637 N CYS A 40 -8.777 -4.888 -2.046 1.00 0.00 N ATOM 638 CA CYS A 40 -8.868 -4.532 -0.610 1.00 0.00 C ATOM 639 C CYS A 40 -9.320 -3.072 -0.467 1.00 0.00 C ATOM 640 O CYS A 40 -10.199 -2.766 0.313 1.00 0.00 O ATOM 641 CB CYS A 40 -7.493 -4.704 0.031 1.00 0.00 C ATOM 642 SG CYS A 40 -6.765 -6.270 -0.510 1.00 0.00 S ATOM 0 H CYS A 40 -7.834 -4.882 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.592 -5.180 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.844 -3.874 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.582 -4.688 1.117 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.876 -6.377 -1.801 1.00 0.00 H new ATOM 648 N LEU A 41 -8.722 -2.163 -1.198 1.00 0.00 N ATOM 649 CA LEU A 41 -9.117 -0.737 -1.076 1.00 0.00 C ATOM 650 C LEU A 41 -10.534 -0.513 -1.616 1.00 0.00 C ATOM 651 O LEU A 41 -11.149 0.501 -1.353 1.00 0.00 O ATOM 652 CB LEU A 41 -8.152 0.127 -1.882 1.00 0.00 C ATOM 653 CG LEU A 41 -6.709 -0.288 -1.605 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.785 0.540 -2.490 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.372 -0.037 -0.133 1.00 0.00 C ATOM 0 H LEU A 41 -7.979 -2.352 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.089 -0.465 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.368 0.029 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.291 1.177 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.580 -1.349 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.750 0.254 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.027 0.361 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.916 1.598 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.341 -0.335 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.492 1.023 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.042 -0.620 0.498 1.00 0.00 H new ATOM 667 N THR A 42 -11.050 -1.427 -2.389 1.00 0.00 N ATOM 668 CA THR A 42 -12.403 -1.233 -2.956 1.00 0.00 C ATOM 669 C THR A 42 -13.384 -2.250 -2.370 1.00 0.00 C ATOM 670 O THR A 42 -14.333 -2.647 -3.016 1.00 0.00 O ATOM 671 CB THR A 42 -12.340 -1.395 -4.477 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.864 -2.695 -4.794 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.392 -0.345 -5.061 1.00 0.00 C ATOM 0 H THR A 42 -10.589 -2.299 -2.650 1.00 0.00 H new ATOM 0 HA THR A 42 -12.752 -0.232 -2.704 1.00 0.00 H new ATOM 0 HB THR A 42 -13.335 -1.260 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.158 -2.629 -5.470 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.346 -0.459 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.758 0.652 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.396 -0.479 -4.639 1.00 0.00 H new ATOM 681 N GLY A 43 -13.177 -2.673 -1.153 1.00 0.00 N ATOM 682 CA GLY A 43 -14.121 -3.657 -0.550 1.00 0.00 C ATOM 683 C GLY A 43 -13.476 -4.340 0.656 1.00 0.00 C ATOM 684 O GLY A 43 -13.459 -5.551 0.755 1.00 0.00 O ATOM 0 H GLY A 43 -12.403 -2.384 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.037 -3.152 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.402 -4.404 -1.292 1.00 0.00 H new ATOM 688 N TRP A 44 -12.948 -3.581 1.577 1.00 0.00 N ATOM 689 CA TRP A 44 -12.314 -4.205 2.768 1.00 0.00 C ATOM 690 C TRP A 44 -11.750 -3.121 3.687 1.00 0.00 C ATOM 691 O TRP A 44 -12.210 -2.925 4.794 1.00 0.00 O ATOM 692 CB TRP A 44 -11.178 -5.118 2.311 1.00 0.00 C ATOM 693 CG TRP A 44 -10.597 -5.812 3.497 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.583 -5.337 4.253 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.978 -7.090 4.076 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.315 -6.246 5.261 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.151 -7.343 5.195 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.953 -8.046 3.741 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.287 -8.504 5.957 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.093 -9.216 4.505 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.261 -9.445 5.611 1.00 0.00 C ATOM 0 H TRP A 44 -12.929 -2.561 1.555 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.061 -4.783 3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.550 -5.849 1.593 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.409 -4.535 1.803 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.067 -4.402 4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.589 -6.121 5.966 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.598 -7.880 2.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.644 -8.674 6.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.846 -9.944 4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.373 -10.347 6.194 1.00 0.00 H new ATOM 712 N VAL A 45 -10.744 -2.426 3.237 1.00 0.00 N ATOM 713 CA VAL A 45 -10.129 -1.366 4.075 1.00 0.00 C ATOM 714 C VAL A 45 -11.168 -0.301 4.427 1.00 0.00 C ATOM 715 O VAL A 45 -12.179 -0.161 3.768 1.00 0.00 O ATOM 716 CB VAL A 45 -8.979 -0.719 3.304 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.226 0.241 4.225 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.024 -1.808 2.810 1.00 0.00 C ATOM 0 H VAL A 45 -10.320 -2.549 2.318 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.754 -1.812 4.996 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.375 -0.168 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.405 0.703 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.907 1.015 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.828 -0.310 5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.203 -1.349 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.627 -2.358 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.562 -2.494 2.155 1.00 0.00 H new ATOM 728 N GLU A 46 -10.920 0.457 5.461 1.00 0.00 N ATOM 729 CA GLU A 46 -11.884 1.521 5.856 1.00 0.00 C ATOM 730 C GLU A 46 -11.258 2.891 5.591 1.00 0.00 C ATOM 731 O GLU A 46 -10.125 3.147 5.944 1.00 0.00 O ATOM 732 CB GLU A 46 -12.215 1.389 7.343 1.00 0.00 C ATOM 733 CG GLU A 46 -12.593 -0.060 7.656 1.00 0.00 C ATOM 734 CD GLU A 46 -12.823 -0.215 9.160 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.854 -0.436 9.868 1.00 0.00 O ATOM 736 OE2 GLU A 46 -13.964 -0.109 9.579 1.00 0.00 O ATOM 0 H GLU A 46 -10.090 0.384 6.049 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.800 1.418 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.358 1.690 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.038 2.055 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.494 -0.338 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.801 -0.733 7.328 1.00 0.00 H new ATOM 743 N TYR A 47 -11.990 3.769 4.965 1.00 0.00 N ATOM 744 CA TYR A 47 -11.448 5.124 4.662 1.00 0.00 C ATOM 745 C TYR A 47 -12.259 6.167 5.446 1.00 0.00 C ATOM 746 O TYR A 47 -13.287 5.834 6.002 1.00 0.00 O ATOM 747 CB TYR A 47 -11.565 5.359 3.151 1.00 0.00 C ATOM 748 CG TYR A 47 -10.588 4.462 2.411 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.541 3.823 3.095 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.730 4.268 1.033 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.650 2.999 2.402 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.834 3.444 0.346 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.796 2.811 1.029 1.00 0.00 C ATOM 754 OH TYR A 47 -7.916 1.998 0.348 1.00 0.00 O ATOM 0 H TYR A 47 -12.946 3.606 4.648 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.402 5.207 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.583 5.154 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.359 6.404 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.424 3.969 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.533 4.755 0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.847 2.507 2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.946 3.297 -0.718 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.001 2.322 0.482 1.00 0.00 H new ATOM 764 N PRO A 48 -11.785 7.397 5.496 1.00 0.00 N ATOM 765 CA PRO A 48 -10.535 7.846 4.832 1.00 0.00 C ATOM 766 C PRO A 48 -9.307 7.097 5.354 1.00 0.00 C ATOM 767 O PRO A 48 -9.149 6.882 6.539 1.00 0.00 O ATOM 768 CB PRO A 48 -10.420 9.337 5.179 1.00 0.00 C ATOM 769 CG PRO A 48 -11.634 9.713 6.064 1.00 0.00 C ATOM 770 CD PRO A 48 -12.491 8.452 6.244 1.00 0.00 C ATOM 0 HA PRO A 48 -10.573 7.656 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.487 9.535 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.408 9.940 4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.300 10.089 7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.216 10.507 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.590 8.190 7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.499 8.602 5.857 1.00 0.00 H new ATOM 778 N LEU A 49 -8.431 6.709 4.465 1.00 0.00 N ATOM 779 CA LEU A 49 -7.198 5.984 4.882 1.00 0.00 C ATOM 780 C LEU A 49 -5.993 6.876 4.614 1.00 0.00 C ATOM 781 O LEU A 49 -6.014 7.716 3.743 1.00 0.00 O ATOM 782 CB LEU A 49 -7.062 4.691 4.051 1.00 0.00 C ATOM 783 CG LEU A 49 -5.585 4.282 3.894 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.041 3.755 5.225 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.465 3.192 2.825 1.00 0.00 C ATOM 0 H LEU A 49 -8.519 6.865 3.461 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.253 5.734 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.616 3.886 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.507 4.839 3.067 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.005 5.155 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.996 3.469 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.118 4.534 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.621 2.887 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.420 2.904 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.052 2.323 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.838 3.572 1.874 1.00 0.00 H new ATOM 797 N VAL A 50 -4.927 6.665 5.321 1.00 0.00 N ATOM 798 CA VAL A 50 -3.708 7.466 5.058 1.00 0.00 C ATOM 799 C VAL A 50 -2.621 6.508 4.570 1.00 0.00 C ATOM 800 O VAL A 50 -2.446 5.436 5.103 1.00 0.00 O ATOM 801 CB VAL A 50 -3.262 8.199 6.346 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.840 7.787 6.758 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.277 9.707 6.096 1.00 0.00 C ATOM 0 H VAL A 50 -4.846 5.975 6.068 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.902 8.226 4.301 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.952 7.930 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.556 8.319 7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.811 6.713 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.143 8.036 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.964 10.229 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.593 9.948 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.285 10.021 5.827 1.00 0.00 H new ATOM 813 N LEU A 51 -1.868 6.890 3.589 1.00 0.00 N ATOM 814 CA LEU A 51 -0.776 6.000 3.127 1.00 0.00 C ATOM 815 C LEU A 51 0.520 6.775 3.266 1.00 0.00 C ATOM 816 O LEU A 51 0.997 7.394 2.334 1.00 0.00 O ATOM 817 CB LEU A 51 -0.973 5.569 1.672 1.00 0.00 C ATOM 818 CG LEU A 51 0.193 4.659 1.276 1.00 0.00 C ATOM 819 CD1 LEU A 51 0.104 3.350 2.056 1.00 0.00 C ATOM 820 CD2 LEU A 51 0.130 4.343 -0.214 1.00 0.00 C ATOM 0 H LEU A 51 -1.958 7.774 3.088 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.764 5.090 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.921 5.043 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.012 6.442 1.020 1.00 0.00 H new ATOM 0 HG LEU A 51 1.129 5.170 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.934 2.702 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.153 3.559 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.839 2.853 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.964 3.695 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.809 3.838 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.190 5.269 -0.785 1.00 0.00 H new ATOM 832 N GLU A 52 1.080 6.765 4.437 1.00 0.00 N ATOM 833 CA GLU A 52 2.331 7.519 4.661 1.00 0.00 C ATOM 834 C GLU A 52 3.498 6.724 4.083 1.00 0.00 C ATOM 835 O GLU A 52 4.193 6.003 4.777 1.00 0.00 O ATOM 836 CB GLU A 52 2.521 7.738 6.162 1.00 0.00 C ATOM 837 CG GLU A 52 3.940 8.239 6.434 1.00 0.00 C ATOM 838 CD GLU A 52 3.894 9.371 7.463 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.760 9.071 8.638 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.992 10.517 7.058 1.00 0.00 O ATOM 0 H GLU A 52 0.722 6.264 5.250 1.00 0.00 H new ATOM 0 HA GLU A 52 2.284 8.490 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.793 8.462 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.344 6.807 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.561 7.423 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.396 8.592 5.509 1.00 0.00 H new ATOM 847 N TRP A 53 3.712 6.856 2.804 1.00 0.00 N ATOM 848 CA TRP A 53 4.828 6.128 2.155 1.00 0.00 C ATOM 849 C TRP A 53 6.134 6.844 2.505 1.00 0.00 C ATOM 850 O TRP A 53 6.309 8.008 2.205 1.00 0.00 O ATOM 851 CB TRP A 53 4.623 6.132 0.640 1.00 0.00 C ATOM 852 CG TRP A 53 5.243 4.906 0.059 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.555 4.592 0.145 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.609 3.826 -0.688 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.771 3.391 -0.503 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.604 2.880 -1.033 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.283 3.575 -1.099 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.300 1.730 -1.757 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.976 2.413 -1.831 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.985 1.496 -2.158 1.00 0.00 C ATOM 0 H TRP A 53 3.157 7.441 2.180 1.00 0.00 H new ATOM 0 HA TRP A 53 4.864 5.096 2.503 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.559 6.163 0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.072 7.024 0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.311 5.184 0.640 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.681 2.938 -0.580 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.501 4.277 -0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.078 1.024 -2.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.959 2.227 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.743 0.607 -2.721 1.00 0.00 H new ATOM 871 N ARG A 54 7.046 6.173 3.152 1.00 0.00 N ATOM 872 CA ARG A 54 8.323 6.843 3.532 1.00 0.00 C ATOM 873 C ARG A 54 9.351 6.686 2.410 1.00 0.00 C ATOM 874 O ARG A 54 9.497 7.548 1.567 1.00 0.00 O ATOM 875 CB ARG A 54 8.868 6.214 4.817 1.00 0.00 C ATOM 876 CG ARG A 54 8.829 7.246 5.946 1.00 0.00 C ATOM 877 CD ARG A 54 10.181 7.956 6.035 1.00 0.00 C ATOM 878 NE ARG A 54 10.668 7.923 7.442 1.00 0.00 N ATOM 879 CZ ARG A 54 11.918 8.193 7.706 1.00 0.00 C ATOM 880 NH1 ARG A 54 12.485 9.244 7.179 1.00 0.00 N ATOM 881 NH2 ARG A 54 12.601 7.411 8.497 1.00 0.00 N ATOM 0 H ARG A 54 6.964 5.196 3.433 1.00 0.00 H new ATOM 0 HA ARG A 54 8.134 7.904 3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.274 5.341 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.890 5.869 4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.037 7.972 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.600 6.757 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.903 7.471 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.085 8.988 5.696 1.00 0.00 H new ATOM 0 HE ARG A 54 10.025 7.690 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.952 9.855 6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.461 9.454 7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.158 6.589 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.577 7.621 8.704 1.00 0.00 H new ATOM 895 N GLN A 55 10.070 5.599 2.395 1.00 0.00 N ATOM 896 CA GLN A 55 11.090 5.402 1.329 1.00 0.00 C ATOM 897 C GLN A 55 10.423 4.828 0.078 1.00 0.00 C ATOM 898 O GLN A 55 10.175 3.643 -0.018 1.00 0.00 O ATOM 899 CB GLN A 55 12.164 4.434 1.829 1.00 0.00 C ATOM 900 CG GLN A 55 13.498 5.174 1.952 1.00 0.00 C ATOM 901 CD GLN A 55 13.291 6.475 2.730 1.00 0.00 C ATOM 902 OE1 GLN A 55 13.326 7.549 2.163 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.076 6.425 4.017 1.00 0.00 N ATOM 0 H GLN A 55 9.996 4.840 3.073 1.00 0.00 H new ATOM 0 HA GLN A 55 11.549 6.360 1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.875 4.020 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.263 3.596 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.229 4.546 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.899 5.390 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.046 5.524 4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.938 7.287 4.545 1.00 0.00 H new ATOM 912 N PHE A 56 10.131 5.662 -0.883 1.00 0.00 N ATOM 913 CA PHE A 56 9.482 5.165 -2.128 1.00 0.00 C ATOM 914 C PHE A 56 10.544 4.557 -3.046 1.00 0.00 C ATOM 915 O PHE A 56 10.526 3.377 -3.336 1.00 0.00 O ATOM 916 CB PHE A 56 8.793 6.328 -2.845 1.00 0.00 C ATOM 917 CG PHE A 56 7.706 5.791 -3.745 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.464 5.433 -3.207 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.941 5.649 -5.118 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.457 4.935 -4.042 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.933 5.151 -5.953 1.00 0.00 C ATOM 922 CZ PHE A 56 5.691 4.794 -5.414 1.00 0.00 C ATOM 0 H PHE A 56 10.314 6.665 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 56 8.742 4.406 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.368 7.018 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.520 6.890 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.283 5.541 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.900 5.923 -5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.499 4.659 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.114 5.042 -7.012 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.914 4.410 -6.058 1.00 0.00 H new ATOM 932 N GLU A 57 11.472 5.352 -3.505 1.00 0.00 N ATOM 933 CA GLU A 57 12.534 4.815 -4.402 1.00 0.00 C ATOM 934 C GLU A 57 13.262 3.672 -3.697 1.00 0.00 C ATOM 935 O GLU A 57 13.509 2.634 -4.274 1.00 0.00 O ATOM 936 CB GLU A 57 13.535 5.920 -4.731 1.00 0.00 C ATOM 937 CG GLU A 57 13.313 6.401 -6.167 1.00 0.00 C ATOM 938 CD GLU A 57 13.222 7.928 -6.187 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.843 8.549 -5.340 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.533 8.449 -7.048 1.00 0.00 O ATOM 0 H GLU A 57 11.540 6.348 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 57 12.078 4.450 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.417 6.751 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.553 5.549 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.132 6.067 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.398 5.967 -6.570 1.00 0.00 H new ATOM 947 N GLN A 58 13.610 3.854 -2.452 1.00 0.00 N ATOM 948 CA GLN A 58 14.315 2.777 -1.717 1.00 0.00 C ATOM 949 C GLN A 58 13.384 1.572 -1.593 1.00 0.00 C ATOM 950 O GLN A 58 13.808 0.435 -1.650 1.00 0.00 O ATOM 951 CB GLN A 58 14.702 3.273 -0.323 1.00 0.00 C ATOM 952 CG GLN A 58 15.828 4.303 -0.441 1.00 0.00 C ATOM 953 CD GLN A 58 17.047 3.654 -1.098 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.602 4.188 -2.038 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.492 2.516 -0.639 1.00 0.00 N ATOM 0 H GLN A 58 13.434 4.704 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 58 15.218 2.492 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.837 3.719 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.024 2.436 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.494 5.156 -1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.093 4.683 0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.027 2.067 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.305 2.075 -1.069 1.00 0.00 H new ATOM 964 N SER A 59 12.111 1.815 -1.430 1.00 0.00 N ATOM 965 CA SER A 59 11.145 0.689 -1.310 1.00 0.00 C ATOM 966 C SER A 59 10.636 0.309 -2.702 1.00 0.00 C ATOM 967 O SER A 59 9.802 -0.562 -2.852 1.00 0.00 O ATOM 968 CB SER A 59 9.965 1.112 -0.435 1.00 0.00 C ATOM 969 OG SER A 59 9.222 -0.040 -0.059 1.00 0.00 O ATOM 0 H SER A 59 11.700 2.747 -1.375 1.00 0.00 H new ATOM 0 HA SER A 59 11.642 -0.167 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.324 1.633 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.327 1.809 -0.978 1.00 0.00 H new ATOM 0 HG SER A 59 9.188 -0.667 -0.811 1.00 0.00 H new ATOM 975 N LYS A 60 11.135 0.949 -3.725 1.00 0.00 N ATOM 976 CA LYS A 60 10.681 0.612 -5.103 1.00 0.00 C ATOM 977 C LYS A 60 11.790 -0.155 -5.828 1.00 0.00 C ATOM 978 O LYS A 60 11.542 -0.889 -6.763 1.00 0.00 O ATOM 979 CB LYS A 60 10.368 1.900 -5.867 1.00 0.00 C ATOM 980 CG LYS A 60 9.817 1.552 -7.251 1.00 0.00 C ATOM 981 CD LYS A 60 10.743 2.119 -8.328 1.00 0.00 C ATOM 982 CE LYS A 60 9.906 2.712 -9.462 1.00 0.00 C ATOM 983 NZ LYS A 60 10.053 4.195 -9.466 1.00 0.00 N ATOM 0 H LYS A 60 11.835 1.688 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 60 9.784 -0.005 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.642 2.496 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.269 2.506 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.735 0.471 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.813 1.961 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.389 2.885 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.393 1.333 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.228 2.302 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.858 2.440 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.484 4.598 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.725 4.579 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.053 4.444 -9.607 1.00 0.00 H new ATOM 1083 N ALA A 67 6.742 -0.885 -5.462 1.00 0.00 N ATOM 1084 CA ALA A 67 5.923 0.212 -4.890 1.00 0.00 C ATOM 1085 C ALA A 67 5.112 0.923 -5.978 1.00 0.00 C ATOM 1086 O ALA A 67 3.902 0.964 -5.922 1.00 0.00 O ATOM 1087 CB ALA A 67 6.848 1.217 -4.206 1.00 0.00 C ATOM 0 HA ALA A 67 5.224 -0.213 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.255 2.027 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.402 0.719 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.548 1.623 -4.936 1.00 0.00 H new ATOM 1093 N GLU A 68 5.774 1.504 -6.945 1.00 0.00 N ATOM 1094 CA GLU A 68 5.063 2.246 -8.033 1.00 0.00 C ATOM 1095 C GLU A 68 3.698 1.617 -8.344 1.00 0.00 C ATOM 1096 O GLU A 68 2.759 2.304 -8.696 1.00 0.00 O ATOM 1097 CB GLU A 68 5.926 2.221 -9.292 1.00 0.00 C ATOM 1098 CG GLU A 68 6.289 3.652 -9.676 1.00 0.00 C ATOM 1099 CD GLU A 68 6.342 3.780 -11.199 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.060 3.010 -11.814 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.663 4.647 -11.725 1.00 0.00 O ATOM 0 H GLU A 68 6.790 1.496 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 68 4.895 3.270 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.830 1.638 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.388 1.738 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.553 4.346 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.253 3.921 -9.245 1.00 0.00 H new ATOM 1108 N SER A 69 3.578 0.325 -8.232 1.00 0.00 N ATOM 1109 CA SER A 69 2.272 -0.331 -8.538 1.00 0.00 C ATOM 1110 C SER A 69 1.310 -0.196 -7.349 1.00 0.00 C ATOM 1111 O SER A 69 0.180 0.237 -7.496 1.00 0.00 O ATOM 1112 CB SER A 69 2.512 -1.811 -8.833 1.00 0.00 C ATOM 1113 OG SER A 69 3.334 -1.933 -9.987 1.00 0.00 O ATOM 0 H SER A 69 4.325 -0.307 -7.943 1.00 0.00 H new ATOM 0 HA SER A 69 1.825 0.156 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.990 -2.291 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.562 -2.320 -8.994 1.00 0.00 H new ATOM 0 HG SER A 69 3.491 -2.881 -10.178 1.00 0.00 H new ATOM 1119 N VAL A 70 1.743 -0.558 -6.173 1.00 0.00 N ATOM 1120 CA VAL A 70 0.855 -0.451 -4.986 1.00 0.00 C ATOM 1121 C VAL A 70 0.367 0.985 -4.878 1.00 0.00 C ATOM 1122 O VAL A 70 -0.815 1.248 -4.794 1.00 0.00 O ATOM 1123 CB VAL A 70 1.643 -0.822 -3.733 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.846 -0.438 -2.485 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.908 -2.326 -3.724 1.00 0.00 C ATOM 0 H VAL A 70 2.676 -0.924 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 70 0.005 -1.126 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 70 2.591 -0.284 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.414 -0.705 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.660 0.636 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.105 -0.971 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.471 -2.591 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.959 -2.863 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.483 -2.599 -4.609 1.00 0.00 H new ATOM 1135 N LEU A 71 1.273 1.916 -4.896 1.00 0.00 N ATOM 1136 CA LEU A 71 0.868 3.342 -4.813 1.00 0.00 C ATOM 1137 C LEU A 71 -0.115 3.626 -5.938 1.00 0.00 C ATOM 1138 O LEU A 71 -1.090 4.307 -5.759 1.00 0.00 O ATOM 1139 CB LEU A 71 2.084 4.238 -4.989 1.00 0.00 C ATOM 1140 CG LEU A 71 1.626 5.691 -5.121 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.093 6.184 -3.775 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.807 6.565 -5.549 1.00 0.00 C ATOM 0 H LEU A 71 2.277 1.752 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 71 0.414 3.539 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.755 4.132 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.645 3.940 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 71 0.837 5.753 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.767 7.220 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.250 5.565 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.882 6.119 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.479 7.600 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.597 6.501 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.188 6.217 -6.509 1.00 0.00 H new ATOM 1154 N GLN A 72 0.137 3.095 -7.100 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.792 3.319 -8.240 1.00 0.00 C ATOM 1156 C GLN A 72 -2.191 2.880 -7.826 1.00 0.00 C ATOM 1157 O GLN A 72 -3.183 3.478 -8.191 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.281 2.508 -9.453 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.285 1.427 -9.890 1.00 0.00 C ATOM 1160 CD GLN A 72 -2.404 2.059 -10.716 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -2.420 3.255 -10.929 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -3.349 1.296 -11.193 1.00 0.00 N ATOM 0 H GLN A 72 0.949 2.514 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.832 4.372 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.091 3.184 -10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.670 2.038 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.776 0.662 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.703 0.932 -9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.334 0.292 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.103 1.703 -11.746 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.266 1.828 -7.079 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.575 1.316 -6.635 1.00 0.00 C ATOM 1173 C VAL A 73 -4.121 2.187 -5.501 1.00 0.00 C ATOM 1174 O VAL A 73 -5.313 2.318 -5.332 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.378 -0.111 -6.152 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.637 -0.604 -5.442 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.052 -0.995 -7.361 1.00 0.00 C ATOM 0 H VAL A 73 -1.462 1.293 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.291 1.341 -7.456 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.555 -0.155 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.485 -1.628 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.847 0.037 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.480 -0.574 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.907 -2.024 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.876 -0.955 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.141 -0.636 -7.839 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.266 2.778 -4.717 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.764 3.634 -3.599 1.00 0.00 C ATOM 1189 C PHE A 74 -4.266 4.974 -4.157 1.00 0.00 C ATOM 1190 O PHE A 74 -5.246 5.526 -3.693 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.629 3.884 -2.601 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.639 2.805 -1.547 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.613 2.815 -0.543 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.672 1.794 -1.573 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.621 1.814 0.435 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.679 0.793 -0.596 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.653 0.803 0.409 1.00 0.00 C ATOM 0 H PHE A 74 -2.252 2.709 -4.798 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.585 3.126 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.670 3.892 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.748 4.863 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.359 3.596 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.920 1.787 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.374 1.821 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.933 0.012 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.658 0.031 1.164 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.607 5.491 -5.156 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.027 6.778 -5.760 1.00 0.00 C ATOM 1209 C ARG A 75 -5.169 6.513 -6.722 1.00 0.00 C ATOM 1210 O ARG A 75 -6.054 7.321 -6.892 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.858 7.378 -6.524 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.233 8.512 -5.709 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.574 9.854 -6.361 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.889 9.953 -7.681 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.266 10.855 -8.545 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.376 12.103 -8.181 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.532 10.508 -9.775 1.00 0.00 N ATOM 0 H ARG A 75 -2.783 5.067 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.347 7.470 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.112 6.610 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.197 7.755 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.606 8.487 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.152 8.385 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.652 9.944 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.262 10.674 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.126 9.316 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.167 12.374 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.671 12.807 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.445 9.532 -10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.827 11.212 -10.451 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.152 5.368 -7.340 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.241 5.006 -8.278 1.00 0.00 C ATOM 1233 C GLU A 76 -7.499 4.839 -7.442 1.00 0.00 C ATOM 1234 O GLU A 76 -8.538 5.397 -7.732 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.889 3.685 -8.948 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.139 3.939 -10.254 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.027 4.740 -11.209 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -5.982 5.958 -11.147 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.736 4.122 -11.986 1.00 0.00 O ATOM 0 H GLU A 76 -4.423 4.663 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.384 5.765 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.275 3.082 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.797 3.116 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.217 4.485 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.856 2.992 -10.713 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.388 4.099 -6.372 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.540 3.919 -5.470 1.00 0.00 C ATOM 1248 C ALA A 77 -8.882 5.298 -4.928 1.00 0.00 C ATOM 1249 O ALA A 77 -10.033 5.652 -4.766 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.165 2.979 -4.320 1.00 0.00 C ATOM 0 H ALA A 77 -6.538 3.611 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.388 3.479 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.023 2.852 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.871 2.010 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.334 3.405 -3.758 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.875 6.101 -4.689 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.129 7.481 -4.207 1.00 0.00 C ATOM 1258 C LYS A 78 -8.935 8.193 -5.283 1.00 0.00 C ATOM 1259 O LYS A 78 -9.754 9.051 -5.021 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.796 8.199 -4.042 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.802 9.015 -2.748 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.250 10.414 -3.024 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.400 11.356 -3.384 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.075 12.736 -2.924 1.00 0.00 N ATOM 0 H LYS A 78 -6.892 5.856 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.661 7.471 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.982 7.474 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.618 8.854 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.816 9.084 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.198 8.517 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.721 10.787 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.528 10.377 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.565 11.350 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.324 11.014 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.857 13.377 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.938 12.735 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.203 13.061 -3.389 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.685 7.819 -6.501 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.386 8.417 -7.655 1.00 0.00 C ATOM 1280 C ALA A 79 -10.805 7.869 -7.708 1.00 0.00 C ATOM 1281 O ALA A 79 -11.722 8.502 -8.193 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.642 8.004 -8.919 1.00 0.00 C ATOM 0 H ALA A 79 -8.003 7.102 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.418 9.503 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.138 8.432 -9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.615 8.367 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.639 6.917 -9.001 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.972 6.678 -7.221 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.300 6.020 -7.231 1.00 0.00 C ATOM 1290 C GLU A 80 -13.193 6.556 -6.102 1.00 0.00 C ATOM 1291 O GLU A 80 -14.020 5.841 -5.571 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.083 4.518 -7.044 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.819 3.878 -8.406 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.148 3.486 -9.055 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.160 4.047 -8.670 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.130 2.633 -9.926 1.00 0.00 O ATOM 0 H GLU A 80 -10.226 6.120 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.800 6.227 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.241 4.340 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.960 4.066 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.281 4.575 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.186 2.998 -8.289 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.046 7.801 -5.727 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.900 8.355 -4.637 1.00 0.00 C ATOM 1305 C GLY A 81 -13.269 8.047 -3.276 1.00 0.00 C ATOM 1306 O GLY A 81 -13.381 8.816 -2.341 1.00 0.00 O ATOM 0 H GLY A 81 -12.374 8.455 -6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.011 9.432 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.899 7.923 -4.691 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.609 6.928 -3.157 1.00 0.00 N ATOM 1311 CA CYS A 82 -11.975 6.565 -1.865 1.00 0.00 C ATOM 1312 C CYS A 82 -11.196 7.761 -1.314 1.00 0.00 C ATOM 1313 O CYS A 82 -10.654 8.557 -2.055 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.020 5.397 -2.098 1.00 0.00 C ATOM 1315 SG CYS A 82 -11.878 4.083 -2.999 1.00 0.00 S ATOM 0 H CYS A 82 -12.483 6.247 -3.906 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.743 6.282 -1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.151 5.732 -2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.653 5.018 -1.144 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.590 4.165 -4.264 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.135 7.893 -0.016 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.391 9.033 0.585 1.00 0.00 C ATOM 1323 C ASP A 83 -9.067 8.528 1.167 1.00 0.00 C ATOM 1324 O ASP A 83 -8.832 8.599 2.357 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.236 9.657 1.696 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.688 11.043 2.040 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.480 11.169 2.155 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.486 11.955 2.184 1.00 0.00 O ATOM 0 H ASP A 83 -11.570 7.258 0.654 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.186 9.782 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.275 9.735 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.221 9.019 2.580 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.200 8.020 0.333 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.890 7.512 0.830 1.00 0.00 C ATOM 1335 C ILE A 84 -5.850 8.636 0.758 1.00 0.00 C ATOM 1336 O ILE A 84 -5.124 8.757 -0.208 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.426 6.353 -0.050 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.277 5.123 0.233 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -4.961 6.036 0.251 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.802 4.579 -1.092 1.00 0.00 C ATOM 0 H ILE A 84 -8.343 7.935 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.001 7.173 1.860 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.530 6.633 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.686 4.364 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.107 5.380 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.631 5.209 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.349 6.914 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.857 5.759 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.414 3.697 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.405 5.342 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.963 4.310 -1.733 1.00 0.00 H new ATOM 1352 N THR A 85 -5.764 9.453 1.769 1.00 0.00 N ATOM 1353 CA THR A 85 -4.764 10.556 1.749 1.00 0.00 C ATOM 1354 C THR A 85 -3.394 9.986 1.376 1.00 0.00 C ATOM 1355 O THR A 85 -2.688 9.447 2.206 1.00 0.00 O ATOM 1356 CB THR A 85 -4.685 11.203 3.134 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.890 11.911 3.394 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.500 12.170 3.181 1.00 0.00 C ATOM 0 H THR A 85 -6.342 9.405 2.608 1.00 0.00 H new ATOM 0 HA THR A 85 -5.063 11.306 1.017 1.00 0.00 H new ATOM 0 HB THR A 85 -4.548 10.430 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.842 12.324 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.445 12.630 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.577 11.625 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.633 12.945 2.426 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.012 10.097 0.133 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.689 9.559 -0.289 1.00 0.00 C ATOM 1368 C ILE A 86 -0.581 10.482 0.234 1.00 0.00 C ATOM 1369 O ILE A 86 -0.519 11.647 -0.108 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.651 9.455 -1.828 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -0.935 8.165 -2.227 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.919 10.652 -2.449 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -1.948 7.022 -2.293 1.00 0.00 C ATOM 0 H ILE A 86 -3.559 10.537 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.532 8.563 0.126 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.677 9.451 -2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.448 8.290 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.153 7.931 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.909 10.549 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.433 11.574 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.106 10.684 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.439 6.101 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.414 6.892 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.714 7.257 -3.032 1.00 0.00 H new ATOM 1385 N ILE A 87 0.289 9.975 1.064 1.00 0.00 N ATOM 1386 CA ILE A 87 1.380 10.831 1.609 1.00 0.00 C ATOM 1387 C ILE A 87 2.739 10.255 1.208 1.00 0.00 C ATOM 1388 O ILE A 87 3.321 9.459 1.917 1.00 0.00 O ATOM 1389 CB ILE A 87 1.271 10.876 3.134 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.025 11.670 3.531 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.512 11.553 3.717 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.049 11.779 5.055 1.00 0.00 C ATOM 0 H ILE A 87 0.292 9.008 1.388 1.00 0.00 H new ATOM 0 HA ILE A 87 1.287 11.839 1.205 1.00 0.00 H new ATOM 0 HB ILE A 87 1.196 9.860 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.058 12.665 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.869 11.179 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.433 11.584 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.401 10.989 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.588 12.569 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.937 12.345 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.102 10.781 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.839 12.289 5.427 1.00 0.00 H new ATOM 1404 N LEU A 88 3.251 10.653 0.075 1.00 0.00 N ATOM 1405 CA LEU A 88 4.574 10.131 -0.370 1.00 0.00 C ATOM 1406 C LEU A 88 5.685 11.039 0.162 1.00 0.00 C ATOM 1407 O LEU A 88 6.084 11.989 -0.482 1.00 0.00 O ATOM 1408 CB LEU A 88 4.625 10.106 -1.899 1.00 0.00 C ATOM 1409 CG LEU A 88 4.274 8.704 -2.400 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.847 8.701 -2.951 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.248 8.301 -3.509 1.00 0.00 C ATOM 0 H LEU A 88 2.810 11.317 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 88 4.714 9.121 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.926 10.835 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.619 10.389 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 88 4.347 7.995 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.597 7.702 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.152 8.989 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.774 9.410 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.999 7.302 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.175 9.010 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.265 8.303 -3.118 1.00 0.00 H new ATOM 1423 N SER A 89 6.187 10.755 1.332 1.00 0.00 N ATOM 1424 CA SER A 89 7.271 11.603 1.903 1.00 0.00 C ATOM 1425 C SER A 89 8.583 10.817 1.911 1.00 0.00 C ATOM 1426 O SER A 89 8.891 10.206 0.901 1.00 0.00 O ATOM 1427 CB SER A 89 6.907 12.001 3.334 1.00 0.00 C ATOM 1428 OG SER A 89 7.831 12.975 3.800 1.00 0.00 O ATOM 1429 OXT SER A 89 9.259 10.840 2.927 1.00 0.00 O ATOM 0 H SER A 89 5.894 9.973 1.917 1.00 0.00 H new ATOM 0 HA SER A 89 7.388 12.500 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.893 12.400 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.926 11.126 3.983 1.00 0.00 H new ATOM 0 HG SER A 89 8.745 12.643 3.678 1.00 0.00 H new