USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 878 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 71 LYS NZ :NH3+ 161:sc= 2.37 (180deg=0.826) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 1.06 USER MOD Set 2.1: A 35 HIS : no HD1:sc= -0.106 K(o=0.79,f=-7.5!) USER MOD Set 2.2: A 37 SER OG : rot 84:sc= 0.896 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.0536 (180deg=-0.0762) USER MOD Single : A 2 THR OG1 : rot -140:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= -0.609 USER MOD Single : A 6 LYS NZ :NH3+ -118:sc= -3.04! (180deg=-4.05!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 1.06 (180deg=1.01) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0924 F(o=-0.63,f=-0.092) USER MOD Single : A 25 SER OG : rot 54:sc= 1.56 USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= -0.285 K(o=-0.29,f=-4.5!) USER MOD Single : A 45 THR OG1 : rot 85:sc= 0.774 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0651 F(o=-1,f=-0.065) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 83 HIS : +bothHN:sc= 1.04 K(o=1,f=-3.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -137:sc= 0.229 USER MOD Single : A 108 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.98) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -0.821 F(o=-2.5,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.500 -7.626 12.815 1.00 0.00 N ATOM 2 CA MET A 1 8.765 -6.846 12.949 1.00 0.00 C ATOM 3 C MET A 1 9.001 -5.891 11.759 1.00 0.00 C ATOM 4 O MET A 1 9.705 -4.891 11.890 1.00 0.00 O ATOM 5 CB MET A 1 9.965 -7.797 13.094 1.00 0.00 C ATOM 6 CG MET A 1 10.163 -8.738 11.913 1.00 0.00 C ATOM 7 SD MET A 1 11.662 -9.734 12.063 1.00 0.00 S ATOM 8 CE MET A 1 11.553 -10.751 10.590 1.00 0.00 C ATOM 0 H1 MET A 1 7.372 -8.226 13.655 1.00 0.00 H new ATOM 0 H2 MET A 1 6.696 -6.972 12.731 1.00 0.00 H new ATOM 0 H3 MET A 1 7.550 -8.225 11.966 1.00 0.00 H new ATOM 0 HA MET A 1 8.665 -6.234 13.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.870 -7.204 13.227 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.837 -8.390 13.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.299 -9.398 11.830 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.209 -8.156 10.993 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.413 -11.420 10.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.636 -11.340 10.622 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.544 -10.112 9.707 1.00 0.00 H new ATOM 20 N THR A 2 8.411 -6.198 10.601 1.00 0.00 N ATOM 21 CA THR A 2 8.635 -5.404 9.378 1.00 0.00 C ATOM 22 C THR A 2 7.537 -4.352 9.153 1.00 0.00 C ATOM 23 O THR A 2 6.365 -4.577 9.466 1.00 0.00 O ATOM 24 CB THR A 2 8.701 -6.310 8.121 1.00 0.00 C ATOM 25 OG1 THR A 2 7.465 -7.024 7.956 1.00 0.00 O ATOM 26 CG2 THR A 2 9.850 -7.310 8.217 1.00 0.00 C ATOM 0 H THR A 2 7.776 -6.987 10.479 1.00 0.00 H new ATOM 0 HA THR A 2 9.588 -4.897 9.526 1.00 0.00 H new ATOM 0 HB THR A 2 8.871 -5.665 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.653 -7.941 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.869 -7.930 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.794 -6.772 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.709 -7.943 9.093 1.00 0.00 H new ATOM 34 N LEU A 3 7.926 -3.206 8.594 1.00 0.00 N ATOM 35 CA LEU A 3 6.974 -2.141 8.249 1.00 0.00 C ATOM 36 C LEU A 3 6.690 -2.163 6.735 1.00 0.00 C ATOM 37 O LEU A 3 7.611 -2.072 5.922 1.00 0.00 O ATOM 38 CB LEU A 3 7.540 -0.768 8.671 1.00 0.00 C ATOM 39 CG LEU A 3 6.506 0.308 9.067 1.00 0.00 C ATOM 40 CD1 LEU A 3 5.544 0.622 7.923 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.739 -0.123 10.314 1.00 0.00 C ATOM 0 H LEU A 3 8.896 -2.988 8.368 1.00 0.00 H new ATOM 0 HA LEU A 3 6.039 -2.310 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.214 -0.921 9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.141 -0.379 7.849 1.00 0.00 H new ATOM 0 HG LEU A 3 7.054 1.224 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.833 1.384 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.107 0.989 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.004 -0.283 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.014 0.647 10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.218 -1.059 10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.437 -0.265 11.139 1.00 0.00 H new ATOM 53 N ILE A 4 5.418 -2.287 6.366 1.00 0.00 N ATOM 54 CA ILE A 4 5.022 -2.374 4.952 1.00 0.00 C ATOM 55 C ILE A 4 4.311 -1.101 4.465 1.00 0.00 C ATOM 56 O ILE A 4 3.697 -0.375 5.250 1.00 0.00 O ATOM 57 CB ILE A 4 4.111 -3.600 4.705 1.00 0.00 C ATOM 58 CG1 ILE A 4 2.973 -3.636 5.739 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.932 -4.889 4.751 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.024 -4.805 5.581 1.00 0.00 C ATOM 0 H ILE A 4 4.639 -2.330 7.023 1.00 0.00 H new ATOM 0 HA ILE A 4 5.944 -2.486 4.381 1.00 0.00 H new ATOM 0 HB ILE A 4 3.667 -3.515 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.407 -3.668 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.404 -2.709 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.278 -5.743 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.702 -4.857 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.402 -4.986 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.253 -4.754 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.558 -4.765 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.577 -5.739 5.683 1.00 0.00 H new ATOM 72 N TYR A 5 4.396 -0.840 3.157 1.00 0.00 N ATOM 73 CA TYR A 5 3.834 0.385 2.567 1.00 0.00 C ATOM 74 C TYR A 5 2.983 0.100 1.309 1.00 0.00 C ATOM 75 O TYR A 5 3.058 -0.975 0.708 1.00 0.00 O ATOM 76 CB TYR A 5 4.964 1.367 2.213 1.00 0.00 C ATOM 77 CG TYR A 5 5.732 1.904 3.413 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.822 1.216 3.939 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.373 3.107 4.012 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.524 1.706 5.026 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.071 3.605 5.098 1.00 0.00 C ATOM 82 CZ TYR A 5 7.148 2.904 5.599 1.00 0.00 C ATOM 83 OH TYR A 5 7.847 3.399 6.681 1.00 0.00 O ATOM 0 H TYR A 5 4.848 -1.459 2.484 1.00 0.00 H new ATOM 0 HA TYR A 5 3.176 0.826 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.664 0.869 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.539 2.207 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.125 0.282 3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.533 3.663 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.362 1.154 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.774 4.539 5.552 1.00 0.00 H new ATOM 0 HH TYR A 5 8.781 3.105 6.629 1.00 0.00 H new ATOM 93 N LYS A 6 2.166 1.082 0.924 1.00 0.00 N ATOM 94 CA LYS A 6 1.333 0.996 -0.286 1.00 0.00 C ATOM 95 C LYS A 6 0.933 2.398 -0.785 1.00 0.00 C ATOM 96 O LYS A 6 0.219 3.124 -0.101 1.00 0.00 O ATOM 97 CB LYS A 6 0.073 0.155 -0.006 1.00 0.00 C ATOM 98 CG LYS A 6 -0.992 0.223 -1.103 1.00 0.00 C ATOM 99 CD LYS A 6 -0.549 -0.436 -2.414 1.00 0.00 C ATOM 100 CE LYS A 6 -0.519 -1.964 -2.323 1.00 0.00 C ATOM 101 NZ LYS A 6 0.725 -2.480 -1.686 1.00 0.00 N ATOM 0 H LYS A 6 2.060 1.957 1.437 1.00 0.00 H new ATOM 0 HA LYS A 6 1.920 0.511 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.369 -0.885 0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.369 0.488 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.901 -0.262 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.242 1.267 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.226 -0.136 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.443 -0.072 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.383 -2.306 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.611 -2.385 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.245 -3.070 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.323 -1.681 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.477 -3.050 -0.852 1.00 0.00 H new ATOM 115 N ILE A 7 1.397 2.771 -1.977 1.00 0.00 N ATOM 116 CA ILE A 7 1.062 4.075 -2.567 1.00 0.00 C ATOM 117 C ILE A 7 -0.019 3.937 -3.653 1.00 0.00 C ATOM 118 O ILE A 7 0.120 3.136 -4.578 1.00 0.00 O ATOM 119 CB ILE A 7 2.320 4.748 -3.177 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.411 4.915 -2.102 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.964 6.100 -3.804 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.709 5.500 -2.623 1.00 0.00 C ATOM 0 H ILE A 7 2.006 2.192 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 7 0.675 4.701 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 7 2.708 4.103 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.029 5.557 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.617 3.943 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.861 6.553 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.227 5.952 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.550 6.758 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.424 5.585 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.117 4.849 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.520 6.488 -3.044 1.00 0.00 H new ATOM 134 N LEU A 8 -1.090 4.721 -3.534 1.00 0.00 N ATOM 135 CA LEU A 8 -2.204 4.676 -4.494 1.00 0.00 C ATOM 136 C LEU A 8 -2.915 6.037 -4.574 1.00 0.00 C ATOM 137 O LEU A 8 -2.723 6.892 -3.717 1.00 0.00 O ATOM 138 CB LEU A 8 -3.218 3.580 -4.108 1.00 0.00 C ATOM 139 CG LEU A 8 -4.045 3.832 -2.828 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.113 2.755 -2.660 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.152 3.894 -1.589 1.00 0.00 C ATOM 0 H LEU A 8 -1.214 5.398 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.787 4.440 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.909 3.445 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.677 2.641 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.535 4.800 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.686 2.949 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.781 2.768 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.636 1.778 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.766 4.073 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.620 2.949 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.432 4.705 -1.700 1.00 0.00 H new ATOM 153 N SER A 9 -3.746 6.228 -5.595 1.00 0.00 N ATOM 154 CA SER A 9 -4.506 7.485 -5.753 1.00 0.00 C ATOM 155 C SER A 9 -5.592 7.631 -4.675 1.00 0.00 C ATOM 156 O SER A 9 -6.183 6.642 -4.245 1.00 0.00 O ATOM 157 CB SER A 9 -5.150 7.554 -7.146 1.00 0.00 C ATOM 158 OG SER A 9 -4.181 7.810 -8.154 1.00 0.00 O ATOM 0 H SER A 9 -3.916 5.538 -6.327 1.00 0.00 H new ATOM 0 HA SER A 9 -3.799 8.307 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.660 6.615 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.907 8.338 -7.160 1.00 0.00 H new ATOM 0 HG SER A 9 -4.621 7.846 -9.029 1.00 0.00 H new ATOM 164 N ARG A 10 -5.863 8.873 -4.255 1.00 0.00 N ATOM 165 CA ARG A 10 -6.825 9.133 -3.174 1.00 0.00 C ATOM 166 C ARG A 10 -8.215 8.556 -3.492 1.00 0.00 C ATOM 167 O ARG A 10 -8.781 7.818 -2.687 1.00 0.00 O ATOM 168 CB ARG A 10 -6.934 10.640 -2.885 1.00 0.00 C ATOM 169 CG ARG A 10 -7.945 10.976 -1.788 1.00 0.00 C ATOM 170 CD ARG A 10 -7.554 10.375 -0.436 1.00 0.00 C ATOM 171 NE ARG A 10 -8.720 10.141 0.412 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.684 10.026 1.710 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.576 10.181 2.361 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.769 9.747 2.356 1.00 0.00 N ATOM 0 H ARG A 10 -5.432 9.711 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.447 8.629 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.954 11.019 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.217 11.159 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.028 12.059 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.929 10.606 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.026 9.435 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.863 11.046 0.074 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.629 10.062 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.715 10.396 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.564 10.088 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.645 9.618 1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.749 9.655 3.372 1.00 0.00 H new ATOM 188 N ALA A 11 -8.755 8.889 -4.664 1.00 0.00 N ATOM 189 CA ALA A 11 -10.060 8.362 -5.093 1.00 0.00 C ATOM 190 C ALA A 11 -10.095 6.825 -5.025 1.00 0.00 C ATOM 191 O ALA A 11 -11.093 6.227 -4.617 1.00 0.00 O ATOM 192 CB ALA A 11 -10.378 8.838 -6.505 1.00 0.00 C ATOM 0 H ALA A 11 -8.315 9.519 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.819 8.742 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.346 8.442 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.409 9.927 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.607 8.485 -7.190 1.00 0.00 H new ATOM 198 N GLU A 12 -8.987 6.196 -5.417 1.00 0.00 N ATOM 199 CA GLU A 12 -8.854 4.737 -5.350 1.00 0.00 C ATOM 200 C GLU A 12 -8.830 4.255 -3.886 1.00 0.00 C ATOM 201 O GLU A 12 -9.382 3.202 -3.557 1.00 0.00 O ATOM 202 CB GLU A 12 -7.583 4.296 -6.095 1.00 0.00 C ATOM 203 CG GLU A 12 -7.359 2.785 -6.126 1.00 0.00 C ATOM 204 CD GLU A 12 -6.207 2.385 -7.037 1.00 0.00 C ATOM 205 OE1 GLU A 12 -5.039 2.627 -6.674 1.00 0.00 O ATOM 206 OE2 GLU A 12 -6.463 1.854 -8.138 1.00 0.00 O ATOM 0 H GLU A 12 -8.165 6.674 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.719 4.282 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.631 4.664 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.720 4.769 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.159 2.430 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.272 2.292 -6.462 1.00 0.00 H new ATOM 213 N TRP A 13 -8.203 5.044 -3.008 1.00 0.00 N ATOM 214 CA TRP A 13 -8.194 4.744 -1.572 1.00 0.00 C ATOM 215 C TRP A 13 -9.613 4.811 -0.980 1.00 0.00 C ATOM 216 O TRP A 13 -10.036 3.898 -0.271 1.00 0.00 O ATOM 217 CB TRP A 13 -7.252 5.700 -0.822 1.00 0.00 C ATOM 218 CG TRP A 13 -7.308 5.558 0.676 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.528 6.553 1.586 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.160 4.348 1.435 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.520 6.039 2.858 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.296 4.691 2.794 1.00 0.00 C ATOM 223 CE3 TRP A 13 -6.924 3.010 1.100 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.206 3.748 3.813 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.835 2.075 2.114 1.00 0.00 C ATOM 226 CH2 TRP A 13 -6.975 2.449 3.457 1.00 0.00 C ATOM 0 H TRP A 13 -7.697 5.892 -3.264 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.825 3.726 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.230 5.524 -1.156 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.503 6.726 -1.090 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.685 7.593 1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.659 6.576 3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.813 2.713 0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.315 4.033 4.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.655 1.039 1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.899 1.695 4.227 1.00 0.00 H new ATOM 237 N ASP A 14 -10.346 5.887 -1.275 1.00 0.00 N ATOM 238 CA ASP A 14 -11.735 6.020 -0.816 1.00 0.00 C ATOM 239 C ASP A 14 -12.616 4.884 -1.360 1.00 0.00 C ATOM 240 O ASP A 14 -13.583 4.479 -0.715 1.00 0.00 O ATOM 241 CB ASP A 14 -12.316 7.380 -1.215 1.00 0.00 C ATOM 242 CG ASP A 14 -11.637 8.532 -0.495 1.00 0.00 C ATOM 243 OD1 ASP A 14 -11.794 8.648 0.743 1.00 0.00 O ATOM 244 OD2 ASP A 14 -10.939 9.324 -1.156 1.00 0.00 O ATOM 0 H ASP A 14 -10.006 6.675 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.727 5.952 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.211 7.515 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.383 7.395 -0.994 1.00 0.00 H new ATOM 249 N ALA A 15 -12.274 4.373 -2.544 1.00 0.00 N ATOM 250 CA ALA A 15 -12.966 3.210 -3.114 1.00 0.00 C ATOM 251 C ALA A 15 -12.776 1.970 -2.226 1.00 0.00 C ATOM 252 O ALA A 15 -13.742 1.407 -1.707 1.00 0.00 O ATOM 253 CB ALA A 15 -12.462 2.932 -4.525 1.00 0.00 C ATOM 0 H ALA A 15 -11.524 4.743 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.031 3.437 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.984 2.067 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.649 3.801 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.392 2.729 -4.496 1.00 0.00 H new ATOM 259 N ALA A 16 -11.518 1.563 -2.036 1.00 0.00 N ATOM 260 CA ALA A 16 -11.191 0.429 -1.161 1.00 0.00 C ATOM 261 C ALA A 16 -11.719 0.655 0.266 1.00 0.00 C ATOM 262 O ALA A 16 -12.152 -0.279 0.943 1.00 0.00 O ATOM 263 CB ALA A 16 -9.684 0.201 -1.138 1.00 0.00 C ATOM 0 H ALA A 16 -10.708 2.000 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.679 -0.459 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.453 -0.642 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.333 -0.014 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.186 1.096 -0.764 1.00 0.00 H new ATOM 269 N LYS A 17 -11.686 1.912 0.702 1.00 0.00 N ATOM 270 CA LYS A 17 -12.191 2.305 2.022 1.00 0.00 C ATOM 271 C LYS A 17 -13.724 2.204 2.089 1.00 0.00 C ATOM 272 O LYS A 17 -14.288 1.894 3.136 1.00 0.00 O ATOM 273 CB LYS A 17 -11.705 3.725 2.353 1.00 0.00 C ATOM 274 CG LYS A 17 -12.099 4.223 3.742 1.00 0.00 C ATOM 275 CD LYS A 17 -11.203 5.372 4.207 1.00 0.00 C ATOM 276 CE LYS A 17 -11.160 6.522 3.204 1.00 0.00 C ATOM 277 NZ LYS A 17 -12.493 7.152 3.008 1.00 0.00 N ATOM 0 H LYS A 17 -11.311 2.687 0.155 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.798 1.616 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.619 3.753 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.102 4.414 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.137 4.554 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.036 3.401 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.563 5.744 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.192 4.998 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.452 7.275 3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.791 6.153 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.435 7.858 2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.188 6.422 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.790 7.618 3.889 1.00 0.00 H new ATOM 291 N ALA A 18 -14.392 2.443 0.960 1.00 0.00 N ATOM 292 CA ALA A 18 -15.847 2.252 0.866 1.00 0.00 C ATOM 293 C ALA A 18 -16.209 0.757 0.869 1.00 0.00 C ATOM 294 O ALA A 18 -17.340 0.373 1.170 1.00 0.00 O ATOM 295 CB ALA A 18 -16.391 2.929 -0.388 1.00 0.00 C ATOM 0 H ALA A 18 -13.954 2.768 0.098 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.307 2.712 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.469 2.779 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.175 3.997 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.918 2.496 -1.269 1.00 0.00 H new ATOM 301 N GLN A 19 -15.236 -0.077 0.505 1.00 0.00 N ATOM 302 CA GLN A 19 -15.388 -1.536 0.555 1.00 0.00 C ATOM 303 C GLN A 19 -15.000 -2.082 1.937 1.00 0.00 C ATOM 304 O GLN A 19 -15.419 -3.173 2.331 1.00 0.00 O ATOM 305 CB GLN A 19 -14.490 -2.195 -0.503 1.00 0.00 C ATOM 306 CG GLN A 19 -14.745 -1.721 -1.927 1.00 0.00 C ATOM 307 CD GLN A 19 -13.771 -2.326 -2.928 1.00 0.00 C ATOM 308 OE1 GLN A 19 -12.544 -2.575 -2.506 1.00 0.00 O flip ATOM 309 NE2 GLN A 19 -14.111 -2.557 -4.083 1.00 0.00 N flip ATOM 0 H GLN A 19 -14.325 0.234 0.169 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.434 -1.769 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.448 -2.001 -0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.632 -3.275 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.764 -1.980 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.670 -0.634 -1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.065 -2.356 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.440 -2.951 -4.743 1.00 0.00 H new ATOM 318 N GLY A 20 -14.179 -1.321 2.660 1.00 0.00 N ATOM 319 CA GLY A 20 -13.605 -1.803 3.911 1.00 0.00 C ATOM 320 C GLY A 20 -12.437 -2.760 3.677 1.00 0.00 C ATOM 321 O GLY A 20 -11.785 -3.216 4.621 1.00 0.00 O ATOM 0 H GLY A 20 -13.899 -0.375 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.264 -0.954 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.376 -2.308 4.492 1.00 0.00 H new ATOM 325 N ARG A 21 -12.163 -3.048 2.406 1.00 0.00 N ATOM 326 CA ARG A 21 -11.138 -4.010 2.024 1.00 0.00 C ATOM 327 C ARG A 21 -10.389 -3.568 0.755 1.00 0.00 C ATOM 328 O ARG A 21 -10.985 -3.029 -0.178 1.00 0.00 O ATOM 329 CB ARG A 21 -11.811 -5.360 1.784 1.00 0.00 C ATOM 330 CG ARG A 21 -10.855 -6.487 1.431 1.00 0.00 C ATOM 331 CD ARG A 21 -11.625 -7.737 1.049 1.00 0.00 C ATOM 332 NE ARG A 21 -12.338 -7.562 -0.214 1.00 0.00 N ATOM 333 CZ ARG A 21 -13.471 -8.137 -0.508 1.00 0.00 C ATOM 334 NH1 ARG A 21 -14.061 -8.908 0.346 1.00 0.00 N ATOM 335 NH2 ARG A 21 -14.019 -7.927 -1.659 1.00 0.00 N ATOM 0 H ARG A 21 -12.646 -2.621 1.616 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.404 -4.081 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.367 -5.639 2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.538 -5.251 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.213 -6.182 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.204 -6.699 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.937 -8.578 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.336 -7.983 1.838 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.921 -6.948 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.641 -9.072 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.947 -9.352 0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.565 -7.313 -2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.905 -8.376 -1.891 1.00 0.00 H new ATOM 349 N PHE A 22 -9.083 -3.809 0.734 1.00 0.00 N ATOM 350 CA PHE A 22 -8.237 -3.511 -0.427 1.00 0.00 C ATOM 351 C PHE A 22 -7.765 -4.810 -1.101 1.00 0.00 C ATOM 352 O PHE A 22 -6.951 -5.551 -0.542 1.00 0.00 O ATOM 353 CB PHE A 22 -7.023 -2.678 0.023 1.00 0.00 C ATOM 354 CG PHE A 22 -6.053 -2.339 -1.085 1.00 0.00 C ATOM 355 CD1 PHE A 22 -6.293 -1.268 -1.931 1.00 0.00 C ATOM 356 CD2 PHE A 22 -4.898 -3.091 -1.276 1.00 0.00 C ATOM 357 CE1 PHE A 22 -5.408 -0.955 -2.944 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.011 -2.781 -2.288 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.264 -1.712 -3.122 1.00 0.00 C ATOM 0 H PHE A 22 -8.576 -4.217 1.520 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.820 -2.942 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.380 -1.752 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.490 -3.225 0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.183 -0.671 -1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.693 -3.928 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.609 -0.119 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.120 -3.375 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.570 -1.466 -3.912 1.00 0.00 H new ATOM 369 N GLU A 23 -8.284 -5.096 -2.295 1.00 0.00 N ATOM 370 CA GLU A 23 -7.885 -6.301 -3.032 1.00 0.00 C ATOM 371 C GLU A 23 -7.319 -5.970 -4.430 1.00 0.00 C ATOM 372 O GLU A 23 -8.051 -5.864 -5.414 1.00 0.00 O ATOM 373 CB GLU A 23 -9.051 -7.313 -3.125 1.00 0.00 C ATOM 374 CG GLU A 23 -10.268 -6.865 -3.944 1.00 0.00 C ATOM 375 CD GLU A 23 -11.051 -5.727 -3.313 1.00 0.00 C ATOM 376 OE1 GLU A 23 -10.736 -4.551 -3.594 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.999 -6.007 -2.548 1.00 0.00 O ATOM 0 H GLU A 23 -8.976 -4.517 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.079 -6.767 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.669 -8.238 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.385 -7.546 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.933 -6.557 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.933 -7.717 -4.083 1.00 0.00 H new ATOM 384 N GLY A 24 -6.001 -5.772 -4.489 1.00 0.00 N ATOM 385 CA GLY A 24 -5.297 -5.636 -5.762 1.00 0.00 C ATOM 386 C GLY A 24 -5.649 -4.392 -6.586 1.00 0.00 C ATOM 387 O GLY A 24 -6.682 -4.352 -7.260 1.00 0.00 O ATOM 0 H GLY A 24 -5.400 -5.702 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.225 -5.627 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.502 -6.520 -6.366 1.00 0.00 H new ATOM 391 N SER A 25 -4.780 -3.379 -6.544 1.00 0.00 N ATOM 392 CA SER A 25 -4.860 -2.252 -7.491 1.00 0.00 C ATOM 393 C SER A 25 -4.307 -2.683 -8.859 1.00 0.00 C ATOM 394 O SER A 25 -3.833 -3.806 -9.007 1.00 0.00 O ATOM 395 CB SER A 25 -4.071 -1.035 -6.975 1.00 0.00 C ATOM 396 OG SER A 25 -4.674 -0.470 -5.823 1.00 0.00 O ATOM 0 H SER A 25 -4.016 -3.311 -5.871 1.00 0.00 H new ATOM 0 HA SER A 25 -5.907 -1.965 -7.590 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.050 -1.336 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.009 -0.282 -7.760 1.00 0.00 H new ATOM 0 HG SER A 25 -4.794 -1.165 -5.142 1.00 0.00 H new ATOM 402 N ALA A 26 -4.344 -1.793 -9.850 1.00 0.00 N ATOM 403 CA ALA A 26 -3.879 -2.121 -11.209 1.00 0.00 C ATOM 404 C ALA A 26 -2.497 -2.809 -11.205 1.00 0.00 C ATOM 405 O ALA A 26 -2.290 -3.831 -11.870 1.00 0.00 O ATOM 406 CB ALA A 26 -3.838 -0.858 -12.060 1.00 0.00 C ATOM 0 H ALA A 26 -4.690 -0.839 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.588 -2.829 -11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.493 -1.107 -13.064 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.837 -0.424 -12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.155 -0.138 -11.610 1.00 0.00 H new ATOM 412 N VAL A 27 -1.561 -2.253 -10.438 1.00 0.00 N ATOM 413 CA VAL A 27 -0.207 -2.812 -10.336 1.00 0.00 C ATOM 414 C VAL A 27 -0.198 -4.153 -9.570 1.00 0.00 C ATOM 415 O VAL A 27 0.441 -5.116 -9.993 1.00 0.00 O ATOM 416 CB VAL A 27 0.757 -1.817 -9.644 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.192 -2.342 -9.677 1.00 0.00 C ATOM 418 CG2 VAL A 27 0.665 -0.434 -10.293 1.00 0.00 C ATOM 0 H VAL A 27 -1.712 -1.415 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 27 0.136 -2.993 -11.355 1.00 0.00 H new ATOM 0 HB VAL A 27 0.457 -1.721 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.852 -1.627 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.241 -3.299 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.507 -2.475 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.350 0.249 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.933 -0.508 -11.347 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.354 -0.057 -10.203 1.00 0.00 H new ATOM 428 N ASP A 28 -0.919 -4.209 -8.449 1.00 0.00 N ATOM 429 CA ASP A 28 -1.013 -5.436 -7.640 1.00 0.00 C ATOM 430 C ASP A 28 -1.711 -6.571 -8.415 1.00 0.00 C ATOM 431 O ASP A 28 -1.463 -7.750 -8.167 1.00 0.00 O ATOM 432 CB ASP A 28 -1.755 -5.140 -6.333 1.00 0.00 C ATOM 433 CG ASP A 28 -1.105 -4.009 -5.554 1.00 0.00 C ATOM 434 OD1 ASP A 28 -1.364 -2.835 -5.888 1.00 0.00 O ATOM 435 OD2 ASP A 28 -0.327 -4.285 -4.615 1.00 0.00 O ATOM 0 H ASP A 28 -1.449 -3.421 -8.076 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.002 -5.772 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.790 -4.880 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.777 -6.039 -5.717 1.00 0.00 H new ATOM 440 N LEU A 29 -2.585 -6.208 -9.354 1.00 0.00 N ATOM 441 CA LEU A 29 -3.208 -7.186 -10.253 1.00 0.00 C ATOM 442 C LEU A 29 -2.173 -7.731 -11.247 1.00 0.00 C ATOM 443 O LEU A 29 -2.201 -8.910 -11.613 1.00 0.00 O ATOM 444 CB LEU A 29 -4.389 -6.558 -11.005 1.00 0.00 C ATOM 445 CG LEU A 29 -5.588 -6.156 -10.128 1.00 0.00 C ATOM 446 CD1 LEU A 29 -6.665 -5.469 -10.964 1.00 0.00 C ATOM 447 CD2 LEU A 29 -6.159 -7.374 -9.399 1.00 0.00 C ATOM 0 H LEU A 29 -2.879 -5.244 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.586 -8.013 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.033 -5.673 -11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.733 -7.263 -11.761 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.238 -5.446 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.503 -5.194 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.251 -4.572 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.011 -6.150 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.006 -7.067 -8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.489 -8.113 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.389 -7.811 -8.763 1.00 0.00 H new ATOM 459 N ALA A 30 -1.259 -6.859 -11.683 1.00 0.00 N ATOM 460 CA ALA A 30 -0.117 -7.280 -12.505 1.00 0.00 C ATOM 461 C ALA A 30 0.777 -8.265 -11.732 1.00 0.00 C ATOM 462 O ALA A 30 1.140 -9.329 -12.241 1.00 0.00 O ATOM 463 CB ALA A 30 0.687 -6.067 -12.959 1.00 0.00 C ATOM 0 H ALA A 30 -1.286 -5.859 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.500 -7.791 -13.388 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.530 -6.396 -13.567 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.050 -5.408 -13.548 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.057 -5.529 -12.087 1.00 0.00 H new ATOM 469 N ASP A 31 1.125 -7.901 -10.496 1.00 0.00 N ATOM 470 CA ASP A 31 1.841 -8.805 -9.588 1.00 0.00 C ATOM 471 C ASP A 31 1.014 -10.063 -9.272 1.00 0.00 C ATOM 472 O ASP A 31 1.568 -11.122 -8.986 1.00 0.00 O ATOM 473 CB ASP A 31 2.188 -8.083 -8.275 1.00 0.00 C ATOM 474 CG ASP A 31 3.421 -7.203 -8.385 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.309 -6.063 -8.876 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.515 -7.662 -7.986 1.00 0.00 O ATOM 0 H ASP A 31 0.923 -6.984 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 31 2.757 -9.111 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.339 -7.472 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.347 -8.824 -7.491 1.00 0.00 H new ATOM 481 N GLY A 32 -0.311 -9.938 -9.320 1.00 0.00 N ATOM 482 CA GLY A 32 -1.194 -11.042 -8.945 1.00 0.00 C ATOM 483 C GLY A 32 -1.538 -11.014 -7.461 1.00 0.00 C ATOM 484 O GLY A 32 -2.700 -11.159 -7.070 1.00 0.00 O ATOM 0 H GLY A 32 -0.795 -9.089 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.111 -10.989 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.714 -11.990 -9.189 1.00 0.00 H new ATOM 488 N PHE A 33 -0.516 -10.812 -6.637 1.00 0.00 N ATOM 489 CA PHE A 33 -0.687 -10.664 -5.192 1.00 0.00 C ATOM 490 C PHE A 33 -0.242 -9.262 -4.754 1.00 0.00 C ATOM 491 O PHE A 33 0.708 -8.705 -5.311 1.00 0.00 O ATOM 492 CB PHE A 33 0.117 -11.734 -4.436 1.00 0.00 C ATOM 493 CG PHE A 33 -0.302 -13.150 -4.755 1.00 0.00 C ATOM 494 CD1 PHE A 33 -1.500 -13.659 -4.272 1.00 0.00 C ATOM 495 CD2 PHE A 33 0.502 -13.970 -5.536 1.00 0.00 C ATOM 496 CE1 PHE A 33 -1.886 -14.952 -4.562 1.00 0.00 C ATOM 497 CE2 PHE A 33 0.119 -15.266 -5.827 1.00 0.00 C ATOM 498 CZ PHE A 33 -1.076 -15.756 -5.339 1.00 0.00 C ATOM 0 H PHE A 33 0.453 -10.746 -6.948 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.742 -10.796 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.174 -11.616 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.010 -11.566 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.137 -13.036 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.437 -13.591 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.821 -15.335 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.753 -15.894 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.377 -16.768 -5.565 1.00 0.00 H new ATOM 508 N ILE A 34 -0.923 -8.705 -3.756 1.00 0.00 N ATOM 509 CA ILE A 34 -0.655 -7.336 -3.292 1.00 0.00 C ATOM 510 C ILE A 34 0.834 -7.120 -2.960 1.00 0.00 C ATOM 511 O ILE A 34 1.368 -7.733 -2.032 1.00 0.00 O ATOM 512 CB ILE A 34 -1.515 -6.998 -2.044 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.011 -7.161 -2.369 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.224 -5.581 -1.546 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.931 -6.884 -1.196 1.00 0.00 C ATOM 0 H ILE A 34 -1.669 -9.179 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.923 -6.669 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.252 -7.694 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.270 -6.489 -3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.187 -8.177 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.839 -5.369 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.171 -5.499 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.454 -4.864 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.967 -7.020 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.702 -7.573 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.786 -5.859 -0.854 1.00 0.00 H new ATOM 527 N HIS A 35 1.504 -6.252 -3.727 1.00 0.00 N ATOM 528 CA HIS A 35 2.922 -5.959 -3.489 1.00 0.00 C ATOM 529 C HIS A 35 3.073 -4.771 -2.520 1.00 0.00 C ATOM 530 O HIS A 35 2.788 -3.618 -2.855 1.00 0.00 O ATOM 531 CB HIS A 35 3.677 -5.702 -4.811 1.00 0.00 C ATOM 532 CG HIS A 35 3.364 -4.397 -5.480 1.00 0.00 C ATOM 533 ND1 HIS A 35 4.211 -3.310 -5.434 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.300 -4.005 -6.214 1.00 0.00 C ATOM 535 CE1 HIS A 35 3.680 -2.312 -6.104 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.520 -2.703 -6.587 1.00 0.00 N ATOM 0 H HIS A 35 1.092 -5.745 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 35 3.373 -6.837 -3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.748 -5.743 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.449 -6.512 -5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.437 -4.605 -6.461 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.121 -1.335 -6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.888 -2.131 -7.147 1.00 0.00 H new ATOM 545 N LEU A 36 3.495 -5.067 -1.303 1.00 0.00 N ATOM 546 CA LEU A 36 3.630 -4.059 -0.250 1.00 0.00 C ATOM 547 C LEU A 36 5.027 -3.415 -0.261 1.00 0.00 C ATOM 548 O LEU A 36 5.722 -3.399 0.754 1.00 0.00 O ATOM 549 CB LEU A 36 3.343 -4.725 1.100 1.00 0.00 C ATOM 550 CG LEU A 36 1.948 -5.361 1.214 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.878 -6.311 2.402 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.876 -4.280 1.318 1.00 0.00 C ATOM 0 H LEU A 36 3.755 -6.009 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 36 2.914 -3.256 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.095 -5.494 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.455 -3.981 1.889 1.00 0.00 H new ATOM 0 HG LEU A 36 1.763 -5.942 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.881 -6.748 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.615 -7.104 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.088 -5.762 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.105 -4.747 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.060 -3.669 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.907 -3.650 0.429 1.00 0.00 H new ATOM 564 N SER A 37 5.413 -2.877 -1.422 1.00 0.00 N ATOM 565 CA SER A 37 6.732 -2.246 -1.614 1.00 0.00 C ATOM 566 C SER A 37 7.089 -1.300 -0.456 1.00 0.00 C ATOM 567 O SER A 37 6.527 -0.212 -0.333 1.00 0.00 O ATOM 568 CB SER A 37 6.752 -1.468 -2.938 1.00 0.00 C ATOM 569 OG SER A 37 6.392 -2.304 -4.032 1.00 0.00 O ATOM 0 H SER A 37 4.825 -2.864 -2.256 1.00 0.00 H new ATOM 0 HA SER A 37 7.476 -3.042 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.063 -0.626 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.747 -1.055 -3.105 1.00 0.00 H new ATOM 0 HG SER A 37 5.416 -2.346 -4.104 1.00 0.00 H new ATOM 575 N ALA A 38 8.027 -1.728 0.387 1.00 0.00 N ATOM 576 CA ALA A 38 8.377 -0.991 1.608 1.00 0.00 C ATOM 577 C ALA A 38 9.696 -0.208 1.480 1.00 0.00 C ATOM 578 O ALA A 38 10.621 -0.626 0.780 1.00 0.00 O ATOM 579 CB ALA A 38 8.459 -1.958 2.786 1.00 0.00 C ATOM 0 H ALA A 38 8.563 -2.585 0.249 1.00 0.00 H new ATOM 0 HA ALA A 38 7.589 -0.257 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.719 -1.408 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.495 -2.447 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.222 -2.710 2.587 1.00 0.00 H new ATOM 585 N GLY A 39 9.753 0.941 2.162 1.00 0.00 N ATOM 586 CA GLY A 39 10.983 1.727 2.265 1.00 0.00 C ATOM 587 C GLY A 39 11.632 2.074 0.926 1.00 0.00 C ATOM 588 O GLY A 39 11.075 2.838 0.134 1.00 0.00 O ATOM 0 H GLY A 39 8.956 1.347 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.763 2.652 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.702 1.174 2.870 1.00 0.00 H new ATOM 592 N GLU A 40 12.819 1.512 0.684 1.00 0.00 N ATOM 593 CA GLU A 40 13.580 1.773 -0.546 1.00 0.00 C ATOM 594 C GLU A 40 12.738 1.473 -1.794 1.00 0.00 C ATOM 595 O GLU A 40 12.662 2.286 -2.716 1.00 0.00 O ATOM 596 CB GLU A 40 14.865 0.926 -0.567 1.00 0.00 C ATOM 597 CG GLU A 40 15.806 1.191 0.606 1.00 0.00 C ATOM 598 CD GLU A 40 17.031 0.288 0.594 1.00 0.00 C ATOM 599 OE1 GLU A 40 16.884 -0.923 0.857 1.00 0.00 O ATOM 600 OE2 GLU A 40 18.150 0.785 0.336 1.00 0.00 O ATOM 0 H GLU A 40 13.279 0.868 1.328 1.00 0.00 H new ATOM 0 HA GLU A 40 13.845 2.830 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.592 -0.129 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.399 1.118 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.127 2.232 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.264 1.048 1.541 1.00 0.00 H new ATOM 607 N GLN A 41 12.089 0.310 -1.800 1.00 0.00 N ATOM 608 CA GLN A 41 11.230 -0.097 -2.919 1.00 0.00 C ATOM 609 C GLN A 41 10.078 0.898 -3.145 1.00 0.00 C ATOM 610 O GLN A 41 9.727 1.212 -4.288 1.00 0.00 O ATOM 611 CB GLN A 41 10.669 -1.504 -2.665 1.00 0.00 C ATOM 612 CG GLN A 41 11.717 -2.612 -2.742 1.00 0.00 C ATOM 613 CD GLN A 41 11.140 -3.986 -2.439 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.629 -4.668 -3.322 1.00 0.00 O ATOM 615 NE2 GLN A 41 11.234 -4.413 -1.194 1.00 0.00 N ATOM 0 H GLN A 41 12.140 -0.371 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 41 11.841 -0.106 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.203 -1.526 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.884 -1.708 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.160 -2.620 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.521 -2.396 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.665 -3.822 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.876 -5.334 -0.942 1.00 0.00 H new ATOM 624 N ALA A 42 9.497 1.390 -2.053 1.00 0.00 N ATOM 625 CA ALA A 42 8.407 2.370 -2.127 1.00 0.00 C ATOM 626 C ALA A 42 8.863 3.667 -2.815 1.00 0.00 C ATOM 627 O ALA A 42 8.285 4.089 -3.819 1.00 0.00 O ATOM 628 CB ALA A 42 7.877 2.672 -0.726 1.00 0.00 C ATOM 0 H ALA A 42 9.761 1.128 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 42 7.607 1.938 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.069 3.400 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.502 1.754 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.681 3.077 -0.112 1.00 0.00 H new ATOM 634 N GLN A 43 9.913 4.284 -2.279 1.00 0.00 N ATOM 635 CA GLN A 43 10.425 5.544 -2.823 1.00 0.00 C ATOM 636 C GLN A 43 10.911 5.389 -4.273 1.00 0.00 C ATOM 637 O GLN A 43 10.531 6.163 -5.143 1.00 0.00 O ATOM 638 CB GLN A 43 11.559 6.091 -1.942 1.00 0.00 C ATOM 639 CG GLN A 43 12.199 7.370 -2.482 1.00 0.00 C ATOM 640 CD GLN A 43 11.200 8.505 -2.674 1.00 0.00 C ATOM 641 OE1 GLN A 43 10.596 8.644 -3.731 1.00 0.00 O ATOM 642 NE2 GLN A 43 11.024 9.324 -1.659 1.00 0.00 N ATOM 0 H GLN A 43 10.427 3.935 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 43 9.598 6.254 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.169 6.285 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.329 5.326 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.981 7.695 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.681 7.153 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.542 9.181 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.369 10.102 -1.739 1.00 0.00 H new ATOM 651 N GLU A 44 11.738 4.383 -4.539 1.00 0.00 N ATOM 652 CA GLU A 44 12.312 4.212 -5.879 1.00 0.00 C ATOM 653 C GLU A 44 11.246 3.901 -6.942 1.00 0.00 C ATOM 654 O GLU A 44 11.468 4.123 -8.134 1.00 0.00 O ATOM 655 CB GLU A 44 13.405 3.135 -5.874 1.00 0.00 C ATOM 656 CG GLU A 44 14.617 3.500 -5.019 1.00 0.00 C ATOM 657 CD GLU A 44 15.824 2.621 -5.303 1.00 0.00 C ATOM 658 OE1 GLU A 44 16.528 2.885 -6.301 1.00 0.00 O ATOM 659 OE2 GLU A 44 16.080 1.673 -4.531 1.00 0.00 O ATOM 0 H GLU A 44 12.026 3.680 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 44 12.763 5.166 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.981 2.200 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.733 2.957 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.882 4.542 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.351 3.415 -3.965 1.00 0.00 H new ATOM 666 N THR A 45 10.097 3.384 -6.522 1.00 0.00 N ATOM 667 CA THR A 45 8.957 3.227 -7.433 1.00 0.00 C ATOM 668 C THR A 45 8.207 4.559 -7.583 1.00 0.00 C ATOM 669 O THR A 45 7.799 4.942 -8.681 1.00 0.00 O ATOM 670 CB THR A 45 7.977 2.130 -6.950 1.00 0.00 C ATOM 671 OG1 THR A 45 8.646 0.857 -6.903 1.00 0.00 O ATOM 672 CG2 THR A 45 6.757 2.030 -7.865 1.00 0.00 C ATOM 0 H THR A 45 9.925 3.068 -5.568 1.00 0.00 H new ATOM 0 HA THR A 45 9.356 2.919 -8.400 1.00 0.00 H new ATOM 0 HB THR A 45 7.636 2.405 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.110 0.763 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.089 1.251 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.230 2.984 -7.875 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.080 1.784 -8.876 1.00 0.00 H new ATOM 680 N ALA A 46 8.055 5.274 -6.473 1.00 0.00 N ATOM 681 CA ALA A 46 7.366 6.568 -6.467 1.00 0.00 C ATOM 682 C ALA A 46 8.112 7.631 -7.297 1.00 0.00 C ATOM 683 O ALA A 46 7.512 8.307 -8.134 1.00 0.00 O ATOM 684 CB ALA A 46 7.179 7.055 -5.034 1.00 0.00 C ATOM 0 H ALA A 46 8.400 4.981 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 46 6.392 6.420 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.666 8.017 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.584 6.330 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.153 7.166 -4.558 1.00 0.00 H new ATOM 690 N ALA A 47 9.421 7.761 -7.075 1.00 0.00 N ATOM 691 CA ALA A 47 10.231 8.803 -7.722 1.00 0.00 C ATOM 692 C ALA A 47 10.270 8.665 -9.254 1.00 0.00 C ATOM 693 O ALA A 47 10.521 9.639 -9.961 1.00 0.00 O ATOM 694 CB ALA A 47 11.646 8.787 -7.157 1.00 0.00 C ATOM 0 H ALA A 47 9.949 7.154 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 47 9.755 9.759 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.240 9.562 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.611 8.974 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.100 7.813 -7.341 1.00 0.00 H new ATOM 700 N LYS A 48 10.051 7.453 -9.761 1.00 0.00 N ATOM 701 CA LYS A 48 10.033 7.209 -11.203 1.00 0.00 C ATOM 702 C LYS A 48 8.599 7.126 -11.755 1.00 0.00 C ATOM 703 O LYS A 48 8.221 7.871 -12.660 1.00 0.00 O ATOM 704 CB LYS A 48 10.788 5.912 -11.523 1.00 0.00 C ATOM 705 CG LYS A 48 12.311 6.049 -11.515 1.00 0.00 C ATOM 706 CD LYS A 48 12.865 6.283 -10.111 1.00 0.00 C ATOM 707 CE LYS A 48 14.370 6.504 -10.133 1.00 0.00 C ATOM 708 NZ LYS A 48 14.939 6.628 -8.765 1.00 0.00 N ATOM 0 H LYS A 48 9.883 6.622 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 48 10.526 8.053 -11.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.500 5.150 -10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.473 5.555 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.757 5.147 -11.933 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.602 6.877 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.376 7.149 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.632 5.426 -9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.850 5.673 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.595 7.406 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.966 6.777 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.501 7.436 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.748 5.757 -8.229 1.00 0.00 H new ATOM 722 N TRP A 49 7.805 6.219 -11.198 1.00 0.00 N ATOM 723 CA TRP A 49 6.465 5.932 -11.721 1.00 0.00 C ATOM 724 C TRP A 49 5.430 6.991 -11.298 1.00 0.00 C ATOM 725 O TRP A 49 4.557 7.364 -12.083 1.00 0.00 O ATOM 726 CB TRP A 49 6.012 4.536 -11.257 1.00 0.00 C ATOM 727 CG TRP A 49 6.945 3.430 -11.674 1.00 0.00 C ATOM 728 CD1 TRP A 49 8.184 3.162 -11.159 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.715 2.441 -12.688 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.738 2.080 -11.794 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.857 1.618 -12.735 1.00 0.00 C ATOM 732 CE3 TRP A 49 5.659 2.175 -13.563 1.00 0.00 C ATOM 733 CZ2 TRP A 49 7.967 0.546 -13.619 1.00 0.00 C ATOM 734 CZ3 TRP A 49 5.769 1.111 -14.439 1.00 0.00 C ATOM 735 CH2 TRP A 49 6.916 0.308 -14.462 1.00 0.00 C ATOM 0 H TRP A 49 8.063 5.665 -10.381 1.00 0.00 H new ATOM 0 HA TRP A 49 6.527 5.960 -12.809 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.923 4.535 -10.171 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.019 4.333 -11.659 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.658 3.722 -10.366 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.657 1.684 -11.597 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.771 2.790 -13.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.851 -0.075 -13.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.956 0.896 -15.117 1.00 0.00 H new ATOM 0 HH2 TRP A 49 6.972 -0.515 -15.159 1.00 0.00 H new ATOM 746 N PHE A 50 5.534 7.491 -10.069 1.00 0.00 N ATOM 747 CA PHE A 50 4.506 8.388 -9.513 1.00 0.00 C ATOM 748 C PHE A 50 4.985 9.846 -9.372 1.00 0.00 C ATOM 749 O PHE A 50 4.289 10.676 -8.786 1.00 0.00 O ATOM 750 CB PHE A 50 4.038 7.853 -8.153 1.00 0.00 C ATOM 751 CG PHE A 50 3.371 6.496 -8.234 1.00 0.00 C ATOM 752 CD1 PHE A 50 2.032 6.386 -8.589 1.00 0.00 C ATOM 753 CD2 PHE A 50 4.081 5.333 -7.958 1.00 0.00 C ATOM 754 CE1 PHE A 50 1.418 5.150 -8.665 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.468 4.095 -8.034 1.00 0.00 C ATOM 756 CZ PHE A 50 2.135 4.004 -8.387 1.00 0.00 C ATOM 0 H PHE A 50 6.311 7.296 -9.438 1.00 0.00 H new ATOM 0 HA PHE A 50 3.677 8.401 -10.220 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.895 7.788 -7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.341 8.566 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.464 7.278 -8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.123 5.397 -7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.376 5.081 -8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.031 3.199 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.655 3.038 -8.445 1.00 0.00 H new ATOM 766 N ARG A 51 6.159 10.166 -9.917 1.00 0.00 N ATOM 767 CA ARG A 51 6.674 11.543 -9.859 1.00 0.00 C ATOM 768 C ARG A 51 5.736 12.531 -10.576 1.00 0.00 C ATOM 769 O ARG A 51 5.227 12.248 -11.662 1.00 0.00 O ATOM 770 CB ARG A 51 8.090 11.633 -10.448 1.00 0.00 C ATOM 771 CG ARG A 51 8.230 11.067 -11.861 1.00 0.00 C ATOM 772 CD ARG A 51 9.642 11.274 -12.405 1.00 0.00 C ATOM 773 NE ARG A 51 9.902 10.482 -13.606 1.00 0.00 N ATOM 774 CZ ARG A 51 11.063 9.961 -13.900 1.00 0.00 C ATOM 775 NH1 ARG A 51 12.075 10.110 -13.105 1.00 0.00 N ATOM 776 NH2 ARG A 51 11.207 9.281 -14.986 1.00 0.00 N ATOM 0 H ARG A 51 6.768 9.504 -10.398 1.00 0.00 H new ATOM 0 HA ARG A 51 6.719 11.822 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.399 12.678 -10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.778 11.103 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.993 10.003 -11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.509 11.550 -12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.789 12.330 -12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.367 11.009 -11.635 1.00 0.00 H new ATOM 0 HE ARG A 51 9.130 10.327 -14.254 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.970 10.639 -12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.977 9.699 -13.345 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.415 9.150 -15.615 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.113 8.874 -15.216 1.00 0.00 H new ATOM 790 N GLY A 52 5.506 13.687 -9.951 1.00 0.00 N ATOM 791 CA GLY A 52 4.620 14.699 -10.524 1.00 0.00 C ATOM 792 C GLY A 52 3.174 14.581 -10.045 1.00 0.00 C ATOM 793 O GLY A 52 2.440 15.569 -10.022 1.00 0.00 O ATOM 0 H GLY A 52 5.918 13.944 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.999 15.689 -10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.643 14.618 -11.611 1.00 0.00 H new ATOM 797 N GLN A 53 2.765 13.376 -9.654 1.00 0.00 N ATOM 798 CA GLN A 53 1.391 13.129 -9.203 1.00 0.00 C ATOM 799 C GLN A 53 1.227 13.439 -7.706 1.00 0.00 C ATOM 800 O GLN A 53 1.837 12.792 -6.856 1.00 0.00 O ATOM 801 CB GLN A 53 0.993 11.672 -9.494 1.00 0.00 C ATOM 802 CG GLN A 53 0.942 11.339 -10.983 1.00 0.00 C ATOM 803 CD GLN A 53 0.584 9.886 -11.257 1.00 0.00 C ATOM 804 OE1 GLN A 53 1.587 9.043 -11.400 1.00 0.00 O flip ATOM 805 NE2 GLN A 53 -0.588 9.528 -11.357 1.00 0.00 N flip ATOM 0 H GLN A 53 3.365 12.551 -9.639 1.00 0.00 H new ATOM 0 HA GLN A 53 0.730 13.797 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.703 11.005 -9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.016 11.476 -9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.211 11.985 -11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.910 11.559 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.340 10.207 -11.240 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.808 8.552 -11.556 1.00 0.00 H new ATOM 814 N ALA A 54 0.395 14.433 -7.390 1.00 0.00 N ATOM 815 CA ALA A 54 0.173 14.857 -5.996 1.00 0.00 C ATOM 816 C ALA A 54 -1.173 14.361 -5.438 1.00 0.00 C ATOM 817 O ALA A 54 -1.508 14.617 -4.280 1.00 0.00 O ATOM 818 CB ALA A 54 0.245 16.378 -5.905 1.00 0.00 C ATOM 0 H ALA A 54 -0.139 14.964 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 54 0.958 14.408 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.081 16.689 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.228 16.716 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.522 16.817 -6.543 1.00 0.00 H new ATOM 824 N ASN A 55 -1.937 13.648 -6.261 1.00 0.00 N ATOM 825 CA ASN A 55 -3.285 13.197 -5.885 1.00 0.00 C ATOM 826 C ASN A 55 -3.278 11.794 -5.250 1.00 0.00 C ATOM 827 O ASN A 55 -4.322 11.150 -5.133 1.00 0.00 O ATOM 828 CB ASN A 55 -4.190 13.204 -7.122 1.00 0.00 C ATOM 829 CG ASN A 55 -4.229 14.564 -7.794 1.00 0.00 C ATOM 830 OD1 ASN A 55 -3.442 14.849 -8.690 1.00 0.00 O ATOM 831 ND2 ASN A 55 -5.135 15.416 -7.366 1.00 0.00 N ATOM 0 H ASN A 55 -1.649 13.366 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.667 13.889 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.836 12.459 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.200 12.914 -6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.198 16.345 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.775 15.147 -6.619 1.00 0.00 H new ATOM 838 N LEU A 56 -2.108 11.325 -4.831 1.00 0.00 N ATOM 839 CA LEU A 56 -1.970 9.990 -4.256 1.00 0.00 C ATOM 840 C LEU A 56 -1.633 10.020 -2.754 1.00 0.00 C ATOM 841 O LEU A 56 -1.147 11.021 -2.224 1.00 0.00 O ATOM 842 CB LEU A 56 -0.912 9.206 -5.045 1.00 0.00 C ATOM 843 CG LEU A 56 0.287 10.020 -5.566 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.212 10.454 -4.430 1.00 0.00 C ATOM 845 CD2 LEU A 56 1.047 9.222 -6.621 1.00 0.00 C ATOM 0 H LEU A 56 -1.236 11.852 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.934 9.488 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.533 8.406 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.401 8.732 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.098 10.929 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.046 11.026 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.657 11.074 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.594 9.573 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.892 9.808 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.411 8.293 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.382 8.994 -7.454 1.00 0.00 H new ATOM 857 N VAL A 57 -1.914 8.907 -2.081 1.00 0.00 N ATOM 858 CA VAL A 57 -1.665 8.754 -0.645 1.00 0.00 C ATOM 859 C VAL A 57 -0.786 7.521 -0.366 1.00 0.00 C ATOM 860 O VAL A 57 -0.906 6.494 -1.037 1.00 0.00 O ATOM 861 CB VAL A 57 -2.999 8.603 0.135 1.00 0.00 C ATOM 862 CG1 VAL A 57 -2.757 8.577 1.646 1.00 0.00 C ATOM 863 CG2 VAL A 57 -3.983 9.711 -0.242 1.00 0.00 C ATOM 0 H VAL A 57 -2.323 8.080 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.146 9.652 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.442 7.648 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.709 8.470 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.111 7.736 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.278 9.506 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.909 9.582 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.547 10.681 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.195 9.661 -1.310 1.00 0.00 H new ATOM 873 N LEU A 58 0.100 7.633 0.618 1.00 0.00 N ATOM 874 CA LEU A 58 0.934 6.506 1.048 1.00 0.00 C ATOM 875 C LEU A 58 0.345 5.831 2.298 1.00 0.00 C ATOM 876 O LEU A 58 -0.044 6.502 3.251 1.00 0.00 O ATOM 877 CB LEU A 58 2.377 6.989 1.307 1.00 0.00 C ATOM 878 CG LEU A 58 3.337 5.965 1.963 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.772 6.186 1.491 1.00 0.00 C ATOM 880 CD2 LEU A 58 3.275 6.057 3.491 1.00 0.00 C ATOM 0 H LEU A 58 0.263 8.495 1.138 1.00 0.00 H new ATOM 0 HA LEU A 58 0.954 5.762 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.809 7.302 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.333 7.873 1.943 1.00 0.00 H new ATOM 0 HG LEU A 58 3.015 4.969 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.428 5.455 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.821 6.069 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.093 7.192 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.958 5.328 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.564 7.059 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.259 5.849 3.827 1.00 0.00 H new ATOM 892 N LEU A 59 0.278 4.504 2.284 1.00 0.00 N ATOM 893 CA LEU A 59 -0.222 3.731 3.428 1.00 0.00 C ATOM 894 C LEU A 59 0.934 3.057 4.184 1.00 0.00 C ATOM 895 O LEU A 59 1.779 2.400 3.575 1.00 0.00 O ATOM 896 CB LEU A 59 -1.218 2.663 2.948 1.00 0.00 C ATOM 897 CG LEU A 59 -2.441 3.193 2.181 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.315 2.036 1.705 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.249 4.161 3.045 1.00 0.00 C ATOM 0 H LEU A 59 0.565 3.933 1.489 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.726 4.419 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.687 1.958 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.570 2.104 3.815 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.085 3.739 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.176 2.429 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.736 1.390 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.658 1.461 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.109 4.522 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.594 3.647 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.621 5.005 3.330 1.00 0.00 H new ATOM 911 N ALA A 60 0.964 3.228 5.504 1.00 0.00 N ATOM 912 CA ALA A 60 1.985 2.598 6.356 1.00 0.00 C ATOM 913 C ALA A 60 1.338 1.652 7.379 1.00 0.00 C ATOM 914 O ALA A 60 0.487 2.067 8.172 1.00 0.00 O ATOM 915 CB ALA A 60 2.810 3.663 7.067 1.00 0.00 C ATOM 0 H ALA A 60 0.291 3.800 6.014 1.00 0.00 H new ATOM 0 HA ALA A 60 2.645 2.009 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.561 3.183 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.303 4.294 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.156 4.275 7.689 1.00 0.00 H new ATOM 921 N VAL A 61 1.737 0.378 7.354 1.00 0.00 N ATOM 922 CA VAL A 61 1.148 -0.643 8.234 1.00 0.00 C ATOM 923 C VAL A 61 2.232 -1.512 8.897 1.00 0.00 C ATOM 924 O VAL A 61 3.209 -1.901 8.253 1.00 0.00 O ATOM 925 CB VAL A 61 0.188 -1.578 7.443 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.559 -2.531 8.381 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.793 -0.771 6.593 1.00 0.00 C ATOM 0 H VAL A 61 2.466 0.025 6.734 1.00 0.00 H new ATOM 0 HA VAL A 61 0.593 -0.106 9.003 1.00 0.00 H new ATOM 0 HB VAL A 61 0.798 -2.181 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.221 -3.171 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.160 -3.148 8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.148 -1.953 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.451 -1.451 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.389 -0.127 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.239 -0.159 5.881 1.00 0.00 H new ATOM 937 N GLU A 62 2.067 -1.806 10.186 1.00 0.00 N ATOM 938 CA GLU A 62 2.923 -2.792 10.859 1.00 0.00 C ATOM 939 C GLU A 62 2.486 -4.216 10.478 1.00 0.00 C ATOM 940 O GLU A 62 1.310 -4.565 10.599 1.00 0.00 O ATOM 941 CB GLU A 62 2.880 -2.627 12.389 1.00 0.00 C ATOM 942 CG GLU A 62 3.485 -1.324 12.914 1.00 0.00 C ATOM 943 CD GLU A 62 2.593 -0.113 12.692 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.649 0.082 13.488 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.833 0.653 11.738 1.00 0.00 O ATOM 0 H GLU A 62 1.357 -1.382 10.783 1.00 0.00 H new ATOM 0 HA GLU A 62 3.948 -2.623 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.842 -2.687 12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.407 -3.465 12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.685 -1.428 13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.444 -1.154 12.425 1.00 0.00 H new ATOM 952 N ALA A 63 3.432 -5.032 10.017 1.00 0.00 N ATOM 953 CA ALA A 63 3.119 -6.381 9.529 1.00 0.00 C ATOM 954 C ALA A 63 2.519 -7.286 10.622 1.00 0.00 C ATOM 955 O ALA A 63 1.448 -7.865 10.429 1.00 0.00 O ATOM 956 CB ALA A 63 4.369 -7.025 8.936 1.00 0.00 C ATOM 0 H ALA A 63 4.421 -4.787 9.970 1.00 0.00 H new ATOM 0 HA ALA A 63 2.358 -6.274 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.127 -8.025 8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.732 -6.419 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.142 -7.091 9.701 1.00 0.00 H new ATOM 962 N GLU A 64 3.207 -7.378 11.768 1.00 0.00 N ATOM 963 CA GLU A 64 2.843 -8.317 12.849 1.00 0.00 C ATOM 964 C GLU A 64 3.111 -9.780 12.422 1.00 0.00 C ATOM 965 O GLU A 64 2.917 -10.137 11.259 1.00 0.00 O ATOM 966 CB GLU A 64 1.367 -8.134 13.271 1.00 0.00 C ATOM 967 CG GLU A 64 0.943 -8.997 14.458 1.00 0.00 C ATOM 968 CD GLU A 64 -0.491 -8.746 14.904 1.00 0.00 C ATOM 969 OE1 GLU A 64 -0.740 -7.727 15.586 1.00 0.00 O ATOM 970 OE2 GLU A 64 -1.373 -9.574 14.603 1.00 0.00 O ATOM 0 H GLU A 64 4.028 -6.809 11.976 1.00 0.00 H new ATOM 0 HA GLU A 64 3.471 -8.092 13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.199 -7.086 13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.726 -8.366 12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.055 -10.048 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.615 -8.807 15.295 1.00 0.00 H new ATOM 977 N PRO A 65 3.602 -10.641 13.341 1.00 0.00 N ATOM 978 CA PRO A 65 3.837 -12.069 13.047 1.00 0.00 C ATOM 979 C PRO A 65 2.545 -12.817 12.668 1.00 0.00 C ATOM 980 O PRO A 65 1.951 -13.530 13.483 1.00 0.00 O ATOM 981 CB PRO A 65 4.437 -12.618 14.355 1.00 0.00 C ATOM 982 CG PRO A 65 4.041 -11.633 15.403 1.00 0.00 C ATOM 983 CD PRO A 65 3.997 -10.295 14.714 1.00 0.00 C ATOM 0 HA PRO A 65 4.491 -12.203 12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.050 -13.612 14.581 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.521 -12.706 14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.070 -11.885 15.829 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.758 -11.626 16.224 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.278 -9.623 15.183 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.965 -9.795 14.741 1.00 0.00 H new ATOM 991 N LEU A 66 2.105 -12.615 11.429 1.00 0.00 N ATOM 992 CA LEU A 66 0.893 -13.257 10.904 1.00 0.00 C ATOM 993 C LEU A 66 1.114 -14.754 10.638 1.00 0.00 C ATOM 994 O LEU A 66 0.421 -15.609 11.195 1.00 0.00 O ATOM 995 CB LEU A 66 0.457 -12.571 9.601 1.00 0.00 C ATOM 996 CG LEU A 66 0.214 -11.055 9.692 1.00 0.00 C ATOM 997 CD1 LEU A 66 -0.161 -10.487 8.325 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.864 -10.736 10.727 1.00 0.00 C ATOM 0 H LEU A 66 2.573 -12.005 10.759 1.00 0.00 H new ATOM 0 HA LEU A 66 0.114 -13.154 11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.220 -12.753 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.459 -13.046 9.251 1.00 0.00 H new ATOM 0 HG LEU A 66 1.141 -10.582 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.329 -9.413 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.649 -10.673 7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.071 -10.969 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.017 -9.658 10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.797 -11.223 10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.548 -11.099 11.705 1.00 0.00 H new ATOM 1010 N GLY A 67 2.075 -15.052 9.770 1.00 0.00 N ATOM 1011 CA GLY A 67 2.370 -16.431 9.405 1.00 0.00 C ATOM 1012 C GLY A 67 3.308 -16.526 8.207 1.00 0.00 C ATOM 1013 O GLY A 67 4.441 -16.048 8.261 1.00 0.00 O ATOM 0 H GLY A 67 2.662 -14.358 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.820 -16.941 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.440 -16.951 9.177 1.00 0.00 H new ATOM 1017 N GLU A 68 2.843 -17.138 7.119 1.00 0.00 N ATOM 1018 CA GLU A 68 3.657 -17.278 5.901 1.00 0.00 C ATOM 1019 C GLU A 68 2.889 -16.830 4.645 1.00 0.00 C ATOM 1020 O GLU A 68 3.272 -17.165 3.522 1.00 0.00 O ATOM 1021 CB GLU A 68 4.137 -18.732 5.750 1.00 0.00 C ATOM 1022 CG GLU A 68 4.993 -19.211 6.921 1.00 0.00 C ATOM 1023 CD GLU A 68 5.473 -20.644 6.764 1.00 0.00 C ATOM 1024 OE1 GLU A 68 4.642 -21.568 6.878 1.00 0.00 O ATOM 1025 OE2 GLU A 68 6.687 -20.855 6.544 1.00 0.00 O ATOM 0 H GLU A 68 1.910 -17.545 7.051 1.00 0.00 H new ATOM 0 HA GLU A 68 4.523 -16.624 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.270 -19.385 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.711 -18.824 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.857 -18.554 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.417 -19.126 7.842 1.00 0.00 H new ATOM 1032 N ASP A 69 1.816 -16.059 4.836 1.00 0.00 N ATOM 1033 CA ASP A 69 1.042 -15.517 3.708 1.00 0.00 C ATOM 1034 C ASP A 69 1.729 -14.282 3.091 1.00 0.00 C ATOM 1035 O ASP A 69 1.675 -14.069 1.877 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.393 -15.182 4.144 1.00 0.00 C ATOM 1037 CG ASP A 69 -0.459 -14.450 5.475 1.00 0.00 C ATOM 1038 OD1 ASP A 69 0.201 -13.405 5.623 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.166 -14.932 6.386 1.00 0.00 O ATOM 0 H ASP A 69 1.462 -15.795 5.755 1.00 0.00 H new ATOM 0 HA ASP A 69 0.997 -16.287 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.866 -14.570 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.969 -16.105 4.215 1.00 0.00 H new ATOM 1044 N LEU A 70 2.347 -13.460 3.936 1.00 0.00 N ATOM 1045 CA LEU A 70 3.174 -12.347 3.465 1.00 0.00 C ATOM 1046 C LEU A 70 4.579 -12.835 3.083 1.00 0.00 C ATOM 1047 O LEU A 70 5.430 -13.076 3.945 1.00 0.00 O ATOM 1048 CB LEU A 70 3.270 -11.248 4.533 1.00 0.00 C ATOM 1049 CG LEU A 70 4.176 -10.057 4.165 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.703 -9.388 2.877 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.236 -9.044 5.307 1.00 0.00 C ATOM 0 H LEU A 70 2.292 -13.542 4.951 1.00 0.00 H new ATOM 0 HA LEU A 70 2.698 -11.929 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.267 -10.872 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.638 -11.693 5.458 1.00 0.00 H new ATOM 0 HG LEU A 70 5.182 -10.442 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.359 -8.551 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.727 -10.111 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.684 -9.024 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.882 -8.213 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.233 -8.670 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.636 -9.525 6.200 1.00 0.00 H new ATOM 1063 N LYS A 71 4.811 -12.984 1.787 1.00 0.00 N ATOM 1064 CA LYS A 71 6.099 -13.460 1.273 1.00 0.00 C ATOM 1065 C LYS A 71 7.023 -12.304 0.869 1.00 0.00 C ATOM 1066 O LYS A 71 6.769 -11.616 -0.119 1.00 0.00 O ATOM 1067 CB LYS A 71 5.883 -14.375 0.057 1.00 0.00 C ATOM 1068 CG LYS A 71 5.415 -15.784 0.405 1.00 0.00 C ATOM 1069 CD LYS A 71 5.063 -16.586 -0.847 1.00 0.00 C ATOM 1070 CE LYS A 71 6.198 -16.599 -1.869 1.00 0.00 C ATOM 1071 NZ LYS A 71 5.791 -17.254 -3.142 1.00 0.00 N ATOM 0 H LYS A 71 4.122 -12.782 1.063 1.00 0.00 H new ATOM 0 HA LYS A 71 6.577 -14.014 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.149 -13.914 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.816 -14.443 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.197 -16.301 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.544 -15.728 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.822 -17.610 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.169 -16.164 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.515 -15.576 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.058 -17.122 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.441 -16.970 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.823 -18.287 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.823 -16.963 -3.388 1.00 0.00 H new ATOM 1085 N TRP A 72 8.093 -12.087 1.632 1.00 0.00 N ATOM 1086 CA TRP A 72 9.167 -11.194 1.190 1.00 0.00 C ATOM 1087 C TRP A 72 9.990 -11.893 0.102 1.00 0.00 C ATOM 1088 O TRP A 72 11.115 -12.346 0.330 1.00 0.00 O ATOM 1089 CB TRP A 72 10.063 -10.783 2.365 1.00 0.00 C ATOM 1090 CG TRP A 72 9.450 -9.749 3.266 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.659 -9.963 4.360 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.588 -8.330 3.143 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.300 -8.760 4.922 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.858 -7.744 4.193 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.264 -7.501 2.246 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.781 -6.364 4.366 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.188 -6.132 2.416 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.451 -5.574 3.471 1.00 0.00 C ATOM 0 H TRP A 72 8.241 -12.510 2.548 1.00 0.00 H new ATOM 0 HA TRP A 72 8.725 -10.285 0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.302 -11.668 2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.004 -10.397 1.974 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.360 -10.933 4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.713 -8.644 5.748 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.837 -7.923 1.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.213 -5.933 5.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.704 -5.481 1.726 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.411 -4.500 3.579 1.00 0.00 H new ATOM 1109 N GLU A 73 9.394 -11.988 -1.076 1.00 0.00 N ATOM 1110 CA GLU A 73 9.914 -12.816 -2.161 1.00 0.00 C ATOM 1111 C GLU A 73 10.880 -12.044 -3.069 1.00 0.00 C ATOM 1112 O GLU A 73 10.502 -11.064 -3.712 1.00 0.00 O ATOM 1113 CB GLU A 73 8.726 -13.355 -2.970 1.00 0.00 C ATOM 1114 CG GLU A 73 9.100 -14.257 -4.140 1.00 0.00 C ATOM 1115 CD GLU A 73 7.871 -14.820 -4.834 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.086 -14.027 -5.391 1.00 0.00 O ATOM 1117 OE2 GLU A 73 7.673 -16.054 -4.808 1.00 0.00 O ATOM 0 H GLU A 73 8.534 -11.493 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 73 10.486 -13.638 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.070 -13.909 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.152 -12.510 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.696 -13.693 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.723 -15.077 -3.782 1.00 0.00 H new ATOM 1124 N ALA A 74 12.132 -12.493 -3.113 1.00 0.00 N ATOM 1125 CA ALA A 74 13.140 -11.894 -3.987 1.00 0.00 C ATOM 1126 C ALA A 74 13.090 -12.532 -5.379 1.00 0.00 C ATOM 1127 O ALA A 74 13.054 -13.758 -5.508 1.00 0.00 O ATOM 1128 CB ALA A 74 14.527 -12.047 -3.372 1.00 0.00 C ATOM 0 H ALA A 74 12.475 -13.273 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 74 12.925 -10.831 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.269 -11.597 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.553 -11.548 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.752 -13.105 -3.241 1.00 0.00 H new ATOM 1134 N SER A 75 13.096 -11.710 -6.425 1.00 0.00 N ATOM 1135 CA SER A 75 12.963 -12.223 -7.798 1.00 0.00 C ATOM 1136 C SER A 75 13.781 -11.401 -8.801 1.00 0.00 C ATOM 1137 O SER A 75 14.435 -10.427 -8.432 1.00 0.00 O ATOM 1138 CB SER A 75 11.485 -12.235 -8.211 1.00 0.00 C ATOM 1139 OG SER A 75 11.309 -12.827 -9.487 1.00 0.00 O ATOM 0 H SER A 75 13.190 -10.697 -6.357 1.00 0.00 H new ATOM 0 HA SER A 75 13.356 -13.240 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.903 -12.784 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.101 -11.215 -8.226 1.00 0.00 H new ATOM 0 HG SER A 75 10.358 -12.822 -9.722 1.00 0.00 H new ATOM 1145 N ARG A 76 13.738 -11.810 -10.073 1.00 0.00 N ATOM 1146 CA ARG A 76 14.485 -11.143 -11.154 1.00 0.00 C ATOM 1147 C ARG A 76 16.007 -11.226 -10.930 1.00 0.00 C ATOM 1148 O ARG A 76 16.701 -11.999 -11.594 1.00 0.00 O ATOM 1149 CB ARG A 76 14.034 -9.677 -11.305 1.00 0.00 C ATOM 1150 CG ARG A 76 12.576 -9.524 -11.730 1.00 0.00 C ATOM 1151 CD ARG A 76 12.140 -8.061 -11.760 1.00 0.00 C ATOM 1152 NE ARG A 76 10.774 -7.911 -12.258 1.00 0.00 N ATOM 1153 CZ ARG A 76 10.039 -6.847 -12.086 1.00 0.00 C ATOM 1154 NH1 ARG A 76 10.479 -5.835 -11.407 1.00 0.00 N ATOM 1155 NH2 ARG A 76 8.858 -6.800 -12.603 1.00 0.00 N ATOM 0 H ARG A 76 13.187 -12.610 -10.386 1.00 0.00 H new ATOM 0 HA ARG A 76 14.261 -11.671 -12.081 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.183 -9.161 -10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.671 -9.184 -12.039 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.438 -9.964 -12.718 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.938 -10.079 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.209 -7.641 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.822 -7.492 -12.392 1.00 0.00 H new ATOM 0 HE ARG A 76 10.368 -8.691 -12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.413 -5.863 -10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.892 -5.011 -11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.505 -7.591 -13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.277 -5.972 -12.473 1.00 0.00 H new ATOM 1169 N GLY A 77 16.515 -10.424 -9.998 1.00 0.00 N ATOM 1170 CA GLY A 77 17.932 -10.467 -9.638 1.00 0.00 C ATOM 1171 C GLY A 77 18.187 -9.911 -8.240 1.00 0.00 C ATOM 1172 O GLY A 77 19.292 -9.473 -7.925 1.00 0.00 O ATOM 0 H GLY A 77 15.969 -9.737 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.287 -11.496 -9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.508 -9.895 -10.366 1.00 0.00 H new ATOM 1176 N GLY A 78 17.153 -9.939 -7.401 1.00 0.00 N ATOM 1177 CA GLY A 78 17.238 -9.368 -6.060 1.00 0.00 C ATOM 1178 C GLY A 78 15.939 -8.682 -5.648 1.00 0.00 C ATOM 1179 O GLY A 78 14.886 -8.972 -6.216 1.00 0.00 O ATOM 0 H GLY A 78 16.248 -10.351 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.475 -10.156 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.056 -8.648 -6.024 1.00 0.00 H new ATOM 1183 N ALA A 79 16.012 -7.770 -4.676 1.00 0.00 N ATOM 1184 CA ALA A 79 14.834 -7.019 -4.208 1.00 0.00 C ATOM 1185 C ALA A 79 13.762 -7.936 -3.589 1.00 0.00 C ATOM 1186 O ALA A 79 13.122 -8.728 -4.281 1.00 0.00 O ATOM 1187 CB ALA A 79 14.243 -6.188 -5.345 1.00 0.00 C ATOM 0 H ALA A 79 16.877 -7.529 -4.192 1.00 0.00 H new ATOM 0 HA ALA A 79 15.173 -6.348 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.374 -5.640 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.991 -5.483 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.942 -6.847 -6.159 1.00 0.00 H new ATOM 1193 N ARG A 80 13.571 -7.822 -2.279 1.00 0.00 N ATOM 1194 CA ARG A 80 12.573 -8.630 -1.567 1.00 0.00 C ATOM 1195 C ARG A 80 11.164 -8.027 -1.689 1.00 0.00 C ATOM 1196 O ARG A 80 10.778 -7.158 -0.908 1.00 0.00 O ATOM 1197 CB ARG A 80 12.976 -8.780 -0.091 1.00 0.00 C ATOM 1198 CG ARG A 80 14.113 -9.776 0.131 1.00 0.00 C ATOM 1199 CD ARG A 80 14.691 -9.695 1.544 1.00 0.00 C ATOM 1200 NE ARG A 80 13.654 -9.660 2.577 1.00 0.00 N ATOM 1201 CZ ARG A 80 13.425 -10.618 3.434 1.00 0.00 C ATOM 1202 NH1 ARG A 80 14.051 -11.748 3.349 1.00 0.00 N ATOM 1203 NH2 ARG A 80 12.541 -10.451 4.365 1.00 0.00 N ATOM 0 H ARG A 80 14.092 -7.179 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 80 12.543 -9.617 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.275 -7.806 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.107 -9.099 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.748 -10.787 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.905 -9.587 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.341 -10.553 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.312 -8.803 1.628 1.00 0.00 H new ATOM 0 HE ARG A 80 13.068 -8.827 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.733 -11.899 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.862 -12.488 4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.026 -9.573 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.360 -11.198 5.036 1.00 0.00 H new ATOM 1217 N PHE A 81 10.411 -8.490 -2.687 1.00 0.00 N ATOM 1218 CA PHE A 81 9.057 -7.986 -2.941 1.00 0.00 C ATOM 1219 C PHE A 81 8.032 -8.604 -1.969 1.00 0.00 C ATOM 1220 O PHE A 81 7.764 -9.807 -2.023 1.00 0.00 O ATOM 1221 CB PHE A 81 8.628 -8.302 -4.386 1.00 0.00 C ATOM 1222 CG PHE A 81 9.587 -7.816 -5.446 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.559 -6.497 -5.880 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.511 -8.681 -6.016 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.432 -6.053 -6.857 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.384 -8.242 -6.992 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.345 -6.927 -7.413 1.00 0.00 C ATOM 0 H PHE A 81 10.715 -9.216 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 81 9.080 -6.907 -2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.510 -9.381 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.650 -7.856 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.847 -5.809 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.548 -9.711 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.399 -5.024 -7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.097 -8.927 -7.426 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.028 -6.583 -8.176 1.00 0.00 H new ATOM 1237 N PRO A 82 7.427 -7.791 -1.078 1.00 0.00 N ATOM 1238 CA PRO A 82 6.403 -8.273 -0.137 1.00 0.00 C ATOM 1239 C PRO A 82 5.087 -8.650 -0.841 1.00 0.00 C ATOM 1240 O PRO A 82 4.195 -7.816 -1.011 1.00 0.00 O ATOM 1241 CB PRO A 82 6.188 -7.084 0.826 1.00 0.00 C ATOM 1242 CG PRO A 82 7.300 -6.127 0.532 1.00 0.00 C ATOM 1243 CD PRO A 82 7.686 -6.356 -0.903 1.00 0.00 C ATOM 0 HA PRO A 82 6.722 -9.184 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.216 -6.618 0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.216 -7.411 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.978 -5.097 0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.148 -6.300 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.090 -5.750 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.731 -6.107 -1.087 1.00 0.00 H new ATOM 1251 N HIS A 83 4.989 -9.900 -1.284 1.00 0.00 N ATOM 1252 CA HIS A 83 3.758 -10.411 -1.906 1.00 0.00 C ATOM 1253 C HIS A 83 2.802 -10.989 -0.848 1.00 0.00 C ATOM 1254 O HIS A 83 3.045 -12.064 -0.300 1.00 0.00 O ATOM 1255 CB HIS A 83 4.079 -11.478 -2.969 1.00 0.00 C ATOM 1256 CG HIS A 83 4.699 -10.933 -4.223 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.655 -11.610 -4.954 1.00 0.00 N ATOM 1258 CD2 HIS A 83 4.467 -9.779 -4.898 1.00 0.00 C ATOM 1259 CE1 HIS A 83 5.984 -10.899 -6.015 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.279 -9.784 -6.006 1.00 0.00 N ATOM 0 H HIS A 83 5.744 -10.583 -1.227 1.00 0.00 H new ATOM 0 HA HIS A 83 3.264 -9.571 -2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.754 -12.215 -2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.160 -12.002 -3.230 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.047 -12.520 -4.711 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.773 -9.001 -4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.708 -11.182 -6.765 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.329 -9.046 -6.708 1.00 0.00 H new ATOM 1269 N LEU A 84 1.724 -10.260 -0.564 1.00 0.00 N ATOM 1270 CA LEU A 84 0.718 -10.694 0.417 1.00 0.00 C ATOM 1271 C LEU A 84 -0.416 -11.484 -0.260 1.00 0.00 C ATOM 1272 O LEU A 84 -1.085 -10.985 -1.166 1.00 0.00 O ATOM 1273 CB LEU A 84 0.148 -9.473 1.159 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.891 -9.780 2.256 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.305 -10.694 3.330 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.413 -8.484 2.876 1.00 0.00 C ATOM 0 H LEU A 84 1.520 -9.361 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 84 1.204 -11.355 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.976 -8.927 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.310 -8.808 0.427 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.727 -10.304 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.060 -10.893 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.009 -11.634 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.555 -10.208 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.145 -8.719 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.583 -7.932 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.883 -7.875 2.104 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.631 -12.718 0.195 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.652 -13.606 -0.387 1.00 0.00 C ATOM 1290 C TYR A 85 -3.045 -13.392 0.239 1.00 0.00 C ATOM 1291 O TYR A 85 -3.911 -14.262 0.149 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.223 -15.077 -0.220 1.00 0.00 C ATOM 1293 CG TYR A 85 -0.047 -15.496 -1.095 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.085 -14.696 -1.217 1.00 0.00 C ATOM 1295 CD2 TYR A 85 -0.076 -16.695 -1.804 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.149 -15.079 -2.010 1.00 0.00 C ATOM 1297 CE2 TYR A 85 0.988 -17.084 -2.597 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.096 -16.271 -2.699 1.00 0.00 C ATOM 1299 OH TYR A 85 3.164 -16.657 -3.484 1.00 0.00 O ATOM 0 H TYR A 85 -0.112 -13.132 0.969 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.731 -13.358 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.962 -15.250 0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.075 -15.719 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.132 -13.759 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.945 -17.332 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.020 -14.446 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.951 -18.020 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 85 2.968 -17.522 -3.901 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.272 -12.228 0.849 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.564 -11.930 1.491 1.00 0.00 C ATOM 1311 C ARG A 86 -5.080 -10.536 1.088 1.00 0.00 C ATOM 1312 O ARG A 86 -4.294 -9.600 0.934 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.445 -11.985 3.026 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.647 -13.166 3.569 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.859 -13.356 5.073 1.00 0.00 C ATOM 1316 NE ARG A 86 -3.823 -12.095 5.823 1.00 0.00 N ATOM 1317 CZ ARG A 86 -3.327 -11.970 7.029 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -2.661 -12.940 7.573 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -3.462 -10.851 7.673 1.00 0.00 N ATOM 0 H ARG A 86 -2.586 -11.476 0.915 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.268 -12.689 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.980 -11.062 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.448 -12.017 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.941 -14.075 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.587 -13.010 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.819 -13.844 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.090 -14.025 5.461 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.209 -11.263 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.519 -13.811 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.279 -12.832 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.954 -10.070 7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.076 -10.753 8.612 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.408 -10.377 0.908 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.019 -9.055 0.675 1.00 0.00 C ATOM 1335 C PRO A 87 -6.880 -8.146 1.908 1.00 0.00 C ATOM 1336 O PRO A 87 -7.506 -8.388 2.942 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.500 -9.379 0.394 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.534 -10.846 0.100 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.413 -11.452 0.899 1.00 0.00 C ATOM 0 HA PRO A 87 -6.540 -8.514 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.126 -9.135 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.876 -8.800 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.494 -11.279 0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.401 -11.034 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.731 -11.718 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.030 -12.361 0.435 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.066 -7.101 1.795 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.689 -6.278 2.954 1.00 0.00 C ATOM 1349 C LEU A 88 -6.870 -5.408 3.413 1.00 0.00 C ATOM 1350 O LEU A 88 -7.313 -4.516 2.694 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.467 -5.405 2.595 1.00 0.00 C ATOM 1352 CG LEU A 88 -3.568 -4.970 3.776 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -2.308 -4.277 3.264 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -4.310 -4.057 4.748 1.00 0.00 C ATOM 0 H LEU A 88 -5.651 -6.799 0.914 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.421 -6.934 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.853 -5.953 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.824 -4.509 2.088 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.285 -5.873 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.688 -3.978 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.748 -4.963 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.587 -3.394 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.643 -3.774 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.643 -3.161 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.175 -4.583 5.153 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.380 -5.672 4.612 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.523 -4.922 5.142 1.00 0.00 C ATOM 1368 C LEU A 89 -8.109 -3.505 5.562 1.00 0.00 C ATOM 1369 O LEU A 89 -7.028 -3.303 6.112 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.135 -5.648 6.350 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.573 -7.101 6.105 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.189 -7.705 7.367 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.545 -7.183 4.930 1.00 0.00 C ATOM 0 H LEU A 89 -7.024 -6.396 5.236 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.265 -4.853 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.408 -5.639 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.000 -5.080 6.691 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.687 -7.684 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.491 -8.733 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.455 -7.692 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.061 -7.121 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.842 -8.220 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.428 -6.582 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.060 -6.806 4.030 1.00 0.00 H new ATOM 1385 N VAL A 90 -8.979 -2.528 5.324 1.00 0.00 N ATOM 1386 CA VAL A 90 -8.718 -1.143 5.746 1.00 0.00 C ATOM 1387 C VAL A 90 -8.521 -1.057 7.270 1.00 0.00 C ATOM 1388 O VAL A 90 -7.755 -0.232 7.771 1.00 0.00 O ATOM 1389 CB VAL A 90 -9.871 -0.210 5.302 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.630 1.231 5.755 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.043 -0.284 3.788 1.00 0.00 C ATOM 0 H VAL A 90 -9.869 -2.662 4.844 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.797 -0.815 5.263 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.791 -0.549 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.458 1.859 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.559 1.264 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.701 1.599 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.856 0.375 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.119 0.029 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.277 -1.308 3.498 1.00 0.00 H new ATOM 1401 N SER A 91 -9.203 -1.941 7.995 1.00 0.00 N ATOM 1402 CA SER A 91 -9.065 -2.038 9.455 1.00 0.00 C ATOM 1403 C SER A 91 -7.732 -2.689 9.871 1.00 0.00 C ATOM 1404 O SER A 91 -7.379 -2.689 11.051 1.00 0.00 O ATOM 1405 CB SER A 91 -10.236 -2.833 10.048 1.00 0.00 C ATOM 1406 OG SER A 91 -10.345 -4.118 9.445 1.00 0.00 O ATOM 0 H SER A 91 -9.863 -2.608 7.595 1.00 0.00 H new ATOM 0 HA SER A 91 -9.075 -1.021 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.096 -2.944 11.123 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.164 -2.281 9.903 1.00 0.00 H new ATOM 0 HG SER A 91 -11.098 -4.603 9.843 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.006 -3.266 8.912 1.00 0.00 N ATOM 1413 CA GLU A 92 -5.653 -3.781 9.169 1.00 0.00 C ATOM 1414 C GLU A 92 -4.604 -2.684 8.931 1.00 0.00 C ATOM 1415 O GLU A 92 -3.472 -2.780 9.404 1.00 0.00 O ATOM 1416 CB GLU A 92 -5.351 -5.006 8.283 1.00 0.00 C ATOM 1417 CG GLU A 92 -6.179 -6.239 8.635 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.846 -7.460 7.777 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -6.077 -7.415 6.550 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.366 -8.476 8.331 1.00 0.00 O ATOM 0 H GLU A 92 -7.328 -3.390 7.952 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.605 -4.092 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.533 -4.743 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.293 -5.253 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.019 -6.487 9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.237 -6.002 8.521 1.00 0.00 H new ATOM 1427 N VAL A 93 -4.999 -1.638 8.201 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.112 -0.509 7.907 1.00 0.00 C ATOM 1429 C VAL A 93 -3.884 0.364 9.151 1.00 0.00 C ATOM 1430 O VAL A 93 -4.839 0.799 9.799 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.683 0.370 6.762 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.758 1.551 6.461 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -4.921 -0.471 5.508 1.00 0.00 C ATOM 0 H VAL A 93 -5.933 -1.549 7.800 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.157 -0.930 7.592 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.641 0.774 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.183 2.150 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.652 2.167 7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.779 1.179 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.321 0.162 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.979 -0.910 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.633 -1.265 5.732 1.00 0.00 H new ATOM 1443 N THR A 94 -2.614 0.611 9.478 1.00 0.00 N ATOM 1444 CA THR A 94 -2.258 1.431 10.644 1.00 0.00 C ATOM 1445 C THR A 94 -2.530 2.923 10.406 1.00 0.00 C ATOM 1446 O THR A 94 -3.375 3.521 11.068 1.00 0.00 O ATOM 1447 CB THR A 94 -0.765 1.264 11.032 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.475 -0.108 11.336 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.405 2.136 12.233 1.00 0.00 C ATOM 0 H THR A 94 -1.814 0.257 8.954 1.00 0.00 H new ATOM 0 HA THR A 94 -2.890 1.075 11.457 1.00 0.00 H new ATOM 0 HB THR A 94 -0.166 1.581 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.090 -0.154 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.647 1.997 12.481 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.585 3.183 11.990 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.020 1.851 13.087 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.802 3.523 9.464 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.879 4.974 9.233 1.00 0.00 C ATOM 1459 C ARG A 95 -1.645 5.329 7.757 1.00 0.00 C ATOM 1460 O ARG A 95 -0.994 4.584 7.025 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.843 5.688 10.119 1.00 0.00 C ATOM 1462 CG ARG A 95 0.596 5.253 9.847 1.00 0.00 C ATOM 1463 CD ARG A 95 1.572 5.800 10.887 1.00 0.00 C ATOM 1464 NE ARG A 95 2.943 5.339 10.654 1.00 0.00 N ATOM 1465 CZ ARG A 95 3.403 4.173 11.026 1.00 0.00 C ATOM 1466 NH1 ARG A 95 2.637 3.321 11.629 1.00 0.00 N ATOM 1467 NH2 ARG A 95 4.636 3.867 10.787 1.00 0.00 N ATOM 0 H ARG A 95 -1.153 3.033 8.848 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.883 5.307 9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.924 6.764 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.080 5.498 11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.649 4.164 9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.895 5.594 8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.548 6.890 10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.251 5.492 11.882 1.00 0.00 H new ATOM 0 HE ARG A 95 3.581 5.970 10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.663 3.556 11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.008 2.415 11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.244 4.534 10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.001 2.959 11.075 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.182 6.468 7.326 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.002 6.943 5.951 1.00 0.00 C ATOM 1483 C GLU A 96 -1.010 8.114 5.905 1.00 0.00 C ATOM 1484 O GLU A 96 -0.570 8.615 6.941 1.00 0.00 O ATOM 1485 CB GLU A 96 -3.346 7.390 5.338 1.00 0.00 C ATOM 1486 CG GLU A 96 -4.557 6.568 5.783 1.00 0.00 C ATOM 1487 CD GLU A 96 -5.178 7.093 7.073 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -4.722 6.713 8.171 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.121 7.910 6.992 1.00 0.00 O ATOM 0 H GLU A 96 -2.748 7.083 7.910 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.605 6.112 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.518 8.435 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.269 7.339 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.308 6.576 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.255 5.530 5.925 1.00 0.00 H new ATOM 1496 N ALA A 97 -0.670 8.557 4.702 1.00 0.00 N ATOM 1497 CA ALA A 97 0.238 9.691 4.529 1.00 0.00 C ATOM 1498 C ALA A 97 -0.025 10.429 3.210 1.00 0.00 C ATOM 1499 O ALA A 97 0.426 10.001 2.147 1.00 0.00 O ATOM 1500 CB ALA A 97 1.685 9.216 4.591 1.00 0.00 C ATOM 0 H ALA A 97 -1.007 8.151 3.829 1.00 0.00 H new ATOM 0 HA ALA A 97 0.056 10.394 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.353 10.067 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.874 8.750 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.864 8.490 3.798 1.00 0.00 H new ATOM 1506 N ASP A 98 -0.774 11.524 3.283 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.041 12.358 2.109 1.00 0.00 C ATOM 1508 C ASP A 98 0.191 13.212 1.763 1.00 0.00 C ATOM 1509 O ASP A 98 0.828 13.782 2.650 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.261 13.254 2.367 1.00 0.00 C ATOM 1511 CG ASP A 98 -2.054 14.207 3.537 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.014 13.737 4.696 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.938 15.430 3.302 1.00 0.00 O ATOM 0 H ASP A 98 -1.209 11.858 4.143 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.256 11.709 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.479 13.831 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.131 12.628 2.563 1.00 0.00 H new ATOM 1518 N LEU A 99 0.530 13.301 0.478 1.00 0.00 N ATOM 1519 CA LEU A 99 1.723 14.040 0.055 1.00 0.00 C ATOM 1520 C LEU A 99 1.488 14.826 -1.247 1.00 0.00 C ATOM 1521 O LEU A 99 1.550 14.282 -2.350 1.00 0.00 O ATOM 1522 CB LEU A 99 2.940 13.095 -0.087 1.00 0.00 C ATOM 1523 CG LEU A 99 2.804 11.921 -1.085 1.00 0.00 C ATOM 1524 CD1 LEU A 99 4.166 11.281 -1.349 1.00 0.00 C ATOM 1525 CD2 LEU A 99 1.822 10.864 -0.574 1.00 0.00 C ATOM 0 H LEU A 99 0.002 12.875 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 99 1.940 14.768 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.801 13.694 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.163 12.680 0.896 1.00 0.00 H new ATOM 0 HG LEU A 99 2.413 12.327 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.051 10.457 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.842 12.025 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.578 10.903 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.750 10.053 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.176 10.469 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.840 11.316 -0.437 1.00 0.00 H new ATOM 1537 N ASP A 100 1.189 16.114 -1.102 1.00 0.00 N ATOM 1538 CA ASP A 100 1.072 17.012 -2.249 1.00 0.00 C ATOM 1539 C ASP A 100 2.464 17.539 -2.632 1.00 0.00 C ATOM 1540 O ASP A 100 3.197 18.055 -1.784 1.00 0.00 O ATOM 1541 CB ASP A 100 0.122 18.168 -1.916 1.00 0.00 C ATOM 1542 CG ASP A 100 -0.202 19.025 -3.125 1.00 0.00 C ATOM 1543 OD1 ASP A 100 0.595 19.928 -3.451 1.00 0.00 O ATOM 1544 OD2 ASP A 100 -1.259 18.803 -3.754 1.00 0.00 O ATOM 0 H ASP A 100 1.023 16.561 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 100 0.659 16.468 -3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.803 17.766 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.572 18.792 -1.143 1.00 0.00 H new ATOM 1549 N LEU A 101 2.826 17.406 -3.903 1.00 0.00 N ATOM 1550 CA LEU A 101 4.190 17.708 -4.346 1.00 0.00 C ATOM 1551 C LEU A 101 4.241 18.076 -5.838 1.00 0.00 C ATOM 1552 O LEU A 101 3.209 18.234 -6.488 1.00 0.00 O ATOM 1553 CB LEU A 101 5.085 16.489 -4.063 1.00 0.00 C ATOM 1554 CG LEU A 101 4.684 15.192 -4.803 1.00 0.00 C ATOM 1555 CD1 LEU A 101 5.499 15.011 -6.081 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.816 13.973 -3.895 1.00 0.00 C ATOM 0 H LEU A 101 2.200 17.093 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 101 4.551 18.575 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.110 16.741 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.077 16.294 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 101 3.635 15.286 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.195 14.091 -6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.326 15.858 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.559 14.955 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.527 13.077 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.850 13.877 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.166 14.093 -3.028 1.00 0.00 H new ATOM 1568 N ASP A 102 5.457 18.196 -6.372 1.00 0.00 N ATOM 1569 CA ASP A 102 5.657 18.541 -7.790 1.00 0.00 C ATOM 1570 C ASP A 102 6.857 17.779 -8.402 1.00 0.00 C ATOM 1571 O ASP A 102 7.389 16.850 -7.795 1.00 0.00 O ATOM 1572 CB ASP A 102 5.846 20.057 -7.926 1.00 0.00 C ATOM 1573 CG ASP A 102 7.023 20.555 -7.115 1.00 0.00 C ATOM 1574 OD1 ASP A 102 6.860 20.805 -5.905 1.00 0.00 O ATOM 1575 OD2 ASP A 102 8.126 20.667 -7.679 1.00 0.00 O ATOM 0 H ASP A 102 6.322 18.060 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 102 4.770 18.237 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.995 20.311 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.939 20.566 -7.600 1.00 0.00 H new ATOM 1580 N ALA A 103 7.286 18.189 -9.601 1.00 0.00 N ATOM 1581 CA ALA A 103 8.355 17.488 -10.343 1.00 0.00 C ATOM 1582 C ALA A 103 9.759 17.710 -9.743 1.00 0.00 C ATOM 1583 O ALA A 103 10.748 17.168 -10.235 1.00 0.00 O ATOM 1584 CB ALA A 103 8.338 17.926 -11.803 1.00 0.00 C ATOM 0 H ALA A 103 6.911 19.005 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 103 8.148 16.421 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.127 17.408 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.372 17.682 -12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.503 19.002 -11.862 1.00 0.00 H new ATOM 1590 N ASP A 104 9.832 18.492 -8.676 1.00 0.00 N ATOM 1591 CA ASP A 104 11.093 18.803 -7.999 1.00 0.00 C ATOM 1592 C ASP A 104 10.902 18.638 -6.492 1.00 0.00 C ATOM 1593 O ASP A 104 11.837 18.301 -5.761 1.00 0.00 O ATOM 1594 CB ASP A 104 11.556 20.226 -8.328 1.00 0.00 C ATOM 1595 CG ASP A 104 11.911 20.394 -9.794 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.018 19.969 -10.194 1.00 0.00 O ATOM 1597 OD2 ASP A 104 11.093 20.942 -10.559 1.00 0.00 O ATOM 0 H ASP A 104 9.017 18.933 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 104 11.864 18.117 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.768 20.932 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.423 20.474 -7.716 1.00 0.00 H new ATOM 1602 N GLY A 105 9.677 18.918 -6.037 1.00 0.00 N ATOM 1603 CA GLY A 105 9.252 18.501 -4.713 1.00 0.00 C ATOM 1604 C GLY A 105 9.449 17.009 -4.537 1.00 0.00 C ATOM 1605 O GLY A 105 10.111 16.576 -3.594 1.00 0.00 O ATOM 0 H GLY A 105 8.972 19.429 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.821 19.041 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.202 18.755 -4.565 1.00 0.00 H new ATOM 1609 N VAL A 106 8.891 16.230 -5.474 1.00 0.00 N ATOM 1610 CA VAL A 106 9.155 14.790 -5.554 1.00 0.00 C ATOM 1611 C VAL A 106 8.607 14.018 -4.324 1.00 0.00 C ATOM 1612 O VAL A 106 8.548 14.558 -3.219 1.00 0.00 O ATOM 1613 CB VAL A 106 10.686 14.567 -5.766 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.190 13.261 -5.146 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.029 14.621 -7.257 1.00 0.00 C ATOM 0 H VAL A 106 8.252 16.577 -6.189 1.00 0.00 H new ATOM 0 HA VAL A 106 8.618 14.379 -6.409 1.00 0.00 H new ATOM 0 HB VAL A 106 11.198 15.377 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.260 13.162 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.002 13.272 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.667 12.418 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.099 14.464 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.480 13.842 -7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.753 15.596 -7.659 1.00 0.00 H new ATOM 1625 N PRO A 107 8.137 12.756 -4.526 1.00 0.00 N ATOM 1626 CA PRO A 107 7.566 11.913 -3.458 1.00 0.00 C ATOM 1627 C PRO A 107 8.200 12.120 -2.069 1.00 0.00 C ATOM 1628 O PRO A 107 9.270 11.589 -1.763 1.00 0.00 O ATOM 1629 CB PRO A 107 7.832 10.507 -3.988 1.00 0.00 C ATOM 1630 CG PRO A 107 7.662 10.642 -5.468 1.00 0.00 C ATOM 1631 CD PRO A 107 8.098 12.049 -5.827 1.00 0.00 C ATOM 0 HA PRO A 107 6.517 12.146 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 107 8.835 10.166 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.132 9.783 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 107 8.264 9.903 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.625 10.472 -5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.074 12.053 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.397 12.520 -6.516 1.00 0.00 H new ATOM 1639 N GLN A 108 7.521 12.905 -1.234 1.00 0.00 N ATOM 1640 CA GLN A 108 8.009 13.230 0.109 1.00 0.00 C ATOM 1641 C GLN A 108 7.815 12.056 1.081 1.00 0.00 C ATOM 1642 O GLN A 108 6.862 12.024 1.856 1.00 0.00 O ATOM 1643 CB GLN A 108 7.295 14.488 0.630 1.00 0.00 C ATOM 1644 CG GLN A 108 7.614 15.751 -0.169 1.00 0.00 C ATOM 1645 CD GLN A 108 9.061 16.198 -0.005 1.00 0.00 C ATOM 1646 OE1 GLN A 108 9.681 15.992 1.038 1.00 0.00 O ATOM 1647 NE2 GLN A 108 9.616 16.799 -1.032 1.00 0.00 N ATOM 0 H GLN A 108 6.624 13.332 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 108 9.080 13.424 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.218 14.318 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.573 14.648 1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.411 15.570 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.951 16.555 0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.077 16.956 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.586 17.109 -0.978 1.00 0.00 H new ATOM 1656 N LEU A 109 8.703 11.068 0.996 1.00 0.00 N ATOM 1657 CA LEU A 109 8.655 9.890 1.875 1.00 0.00 C ATOM 1658 C LEU A 109 9.656 9.981 3.035 1.00 0.00 C ATOM 1659 O LEU A 109 9.525 9.262 4.025 1.00 0.00 O ATOM 1660 CB LEU A 109 8.898 8.605 1.063 1.00 0.00 C ATOM 1661 CG LEU A 109 7.634 7.951 0.478 1.00 0.00 C ATOM 1662 CD1 LEU A 109 6.817 8.953 -0.330 1.00 0.00 C ATOM 1663 CD2 LEU A 109 7.997 6.738 -0.373 1.00 0.00 C ATOM 0 H LEU A 109 9.471 11.055 0.325 1.00 0.00 H new ATOM 0 HA LEU A 109 7.657 9.860 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.581 8.835 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.400 7.879 1.703 1.00 0.00 H new ATOM 0 HG LEU A 109 7.018 7.613 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.931 8.461 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.514 9.779 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.421 9.337 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.088 6.291 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.643 7.049 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.519 6.005 0.242 1.00 0.00 H new ATOM 1675 N GLY A 110 10.636 10.874 2.919 1.00 0.00 N ATOM 1676 CA GLY A 110 11.689 10.982 3.931 1.00 0.00 C ATOM 1677 C GLY A 110 11.165 11.207 5.349 1.00 0.00 C ATOM 1678 O GLY A 110 11.815 10.828 6.325 1.00 0.00 O ATOM 0 H GLY A 110 10.725 11.529 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.288 10.072 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.352 11.805 3.665 1.00 0.00 H new ATOM 1682 N ASP A 111 9.995 11.830 5.462 1.00 0.00 N ATOM 1683 CA ASP A 111 9.370 12.085 6.765 1.00 0.00 C ATOM 1684 C ASP A 111 8.352 10.991 7.151 1.00 0.00 C ATOM 1685 O ASP A 111 7.862 10.961 8.280 1.00 0.00 O ATOM 1686 CB ASP A 111 8.688 13.456 6.742 1.00 0.00 C ATOM 1687 CG ASP A 111 7.654 13.564 5.637 1.00 0.00 C ATOM 1688 OD1 ASP A 111 8.046 13.733 4.463 1.00 0.00 O ATOM 1689 OD2 ASP A 111 6.447 13.475 5.937 1.00 0.00 O ATOM 0 H ASP A 111 9.456 12.170 4.666 1.00 0.00 H new ATOM 0 HA ASP A 111 10.156 12.070 7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 111 8.209 13.638 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.441 14.232 6.609 1.00 0.00 H new ATOM 1694 N HIS A 112 8.025 10.103 6.209 1.00 0.00 N ATOM 1695 CA HIS A 112 7.042 9.034 6.456 1.00 0.00 C ATOM 1696 C HIS A 112 7.704 7.681 6.759 1.00 0.00 C ATOM 1697 O HIS A 112 7.088 6.808 7.376 1.00 0.00 O ATOM 1698 CB HIS A 112 6.104 8.885 5.254 1.00 0.00 C ATOM 1699 CG HIS A 112 5.295 10.109 4.970 1.00 0.00 C ATOM 1700 ND1 HIS A 112 5.187 10.848 3.846 1.00 0.00 N flip ATOM 1701 CD2 HIS A 112 4.488 10.717 5.904 1.00 0.00 C flip ATOM 1702 CE1 HIS A 112 4.328 11.884 4.119 1.00 0.00 C flip ATOM 1703 NE2 HIS A 112 3.921 11.776 5.368 1.00 0.00 N flip ATOM 0 H HIS A 112 8.423 10.099 5.270 1.00 0.00 H new ATOM 0 HA HIS A 112 6.474 9.329 7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.694 8.637 4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.430 8.047 5.432 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.656 10.670 2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.343 10.378 6.919 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.035 12.658 3.426 1.00 0.00 H new ATOM 1712 N LEU A 113 8.944 7.498 6.311 1.00 0.00 N ATOM 1713 CA LEU A 113 9.650 6.229 6.524 1.00 0.00 C ATOM 1714 C LEU A 113 10.269 6.161 7.930 1.00 0.00 C ATOM 1715 O LEU A 113 10.515 7.185 8.564 1.00 0.00 O ATOM 1716 CB LEU A 113 10.745 6.023 5.464 1.00 0.00 C ATOM 1717 CG LEU A 113 10.320 6.251 4.000 1.00 0.00 C ATOM 1718 CD1 LEU A 113 11.449 5.876 3.040 1.00 0.00 C ATOM 1719 CD2 LEU A 113 9.040 5.485 3.669 1.00 0.00 C ATOM 0 H LEU A 113 9.479 8.202 5.803 1.00 0.00 H new ATOM 0 HA LEU A 113 8.913 5.431 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.573 6.695 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.126 5.006 5.557 1.00 0.00 H new ATOM 0 HG LEU A 113 10.110 7.313 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.125 6.046 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.325 6.490 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.704 4.824 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.766 5.666 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.205 4.418 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.235 5.824 4.321 1.00 0.00 H new ATOM 1731 N ALA A 114 10.535 4.943 8.399 1.00 0.00 N ATOM 1732 CA ALA A 114 11.078 4.723 9.750 1.00 0.00 C ATOM 1733 C ALA A 114 12.610 4.563 9.742 1.00 0.00 C ATOM 1734 O ALA A 114 13.206 4.119 10.726 1.00 0.00 O ATOM 1735 CB ALA A 114 10.420 3.493 10.374 1.00 0.00 C ATOM 0 H ALA A 114 10.385 4.087 7.866 1.00 0.00 H new ATOM 0 HA ALA A 114 10.851 5.606 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.824 3.332 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.343 3.650 10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.623 2.619 9.756 1.00 0.00 H new ATOM 1741 N LEU A 115 13.247 4.946 8.639 1.00 0.00 N ATOM 1742 CA LEU A 115 14.699 4.779 8.486 1.00 0.00 C ATOM 1743 C LEU A 115 15.487 5.887 9.209 1.00 0.00 C ATOM 1744 O LEU A 115 15.649 6.994 8.691 1.00 0.00 O ATOM 1745 CB LEU A 115 15.090 4.741 6.994 1.00 0.00 C ATOM 1746 CG LEU A 115 14.690 3.465 6.224 1.00 0.00 C ATOM 1747 CD1 LEU A 115 13.173 3.299 6.158 1.00 0.00 C ATOM 1748 CD2 LEU A 115 15.289 3.477 4.818 1.00 0.00 C ATOM 0 H LEU A 115 12.786 5.374 7.836 1.00 0.00 H new ATOM 0 HA LEU A 115 14.961 3.828 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 115 14.636 5.599 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 115 16.170 4.864 6.918 1.00 0.00 H new ATOM 0 HG LEU A 115 15.092 2.611 6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.930 2.390 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.770 3.231 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.735 4.158 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 115 14.996 2.569 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 115 14.923 4.348 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 115 16.376 3.523 4.886 1.00 0.00 H new ATOM 1760 N GLU A 116 15.959 5.587 10.417 1.00 0.00 N ATOM 1761 CA GLU A 116 16.838 6.501 11.156 1.00 0.00 C ATOM 1762 C GLU A 116 18.303 6.285 10.752 1.00 0.00 C ATOM 1763 O GLU A 116 18.939 5.319 11.180 1.00 0.00 O ATOM 1764 CB GLU A 116 16.682 6.290 12.670 1.00 0.00 C ATOM 1765 CG GLU A 116 15.357 6.787 13.240 1.00 0.00 C ATOM 1766 CD GLU A 116 15.218 6.491 14.724 1.00 0.00 C ATOM 1767 OE1 GLU A 116 16.033 7.007 15.520 1.00 0.00 O ATOM 1768 OE2 GLU A 116 14.308 5.722 15.100 1.00 0.00 O ATOM 0 H GLU A 116 15.749 4.718 10.908 1.00 0.00 H new ATOM 0 HA GLU A 116 16.550 7.523 10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.782 5.227 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.498 6.799 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 116 15.275 7.862 13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.534 6.319 12.700 1.00 0.00 H new TER 1775 GLU A 116