USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -7.87! C(o=-19!,f=-18!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -9.24! C(o=-19!,f=-16!) USER MOD Set 1.3: A 61 TYR OH : rot 13:sc= -2! USER MOD Single : A 1 ALA N :NH3+ -169:sc= 0.604 (180deg=0.398) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00812 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -68:sc= -0.0677 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 127:sc= -1.31! USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00215) USER MOD Single : A 24 GLN : amide:sc= -6.8! C(o=-6.8!,f=-7.3!) USER MOD Single : A 26 THR OG1 : rot -60:sc= 0.541 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot -86:sc= 0.868 USER MOD Single : A 37 MET CE :methyl -128:sc= -2.65! (180deg=-4.85!) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.0255 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.119 K(o=0.12,f=-6.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.0222 USER MOD Single : A 81 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0647) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.916 20.850 -3.321 1.00 0.00 N ATOM 2 CA ALA A 1 -11.166 19.428 -3.687 1.00 0.00 C ATOM 3 C ALA A 1 -9.833 18.685 -3.794 1.00 0.00 C ATOM 4 O ALA A 1 -9.481 18.168 -4.836 1.00 0.00 O ATOM 5 CB ALA A 1 -11.895 19.370 -5.031 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.815 21.306 -3.067 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.266 20.891 -2.510 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.492 21.347 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.781 18.957 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.079 18.330 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.845 19.898 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.281 19.841 -5.799 1.00 0.00 H new ATOM 13 N GLU A 2 -9.089 18.626 -2.723 1.00 0.00 N ATOM 14 CA GLU A 2 -7.779 17.917 -2.763 1.00 0.00 C ATOM 15 C GLU A 2 -7.743 16.846 -1.669 1.00 0.00 C ATOM 16 O GLU A 2 -6.695 16.339 -1.319 1.00 0.00 O ATOM 17 CB GLU A 2 -6.647 18.921 -2.532 1.00 0.00 C ATOM 18 CG GLU A 2 -7.050 19.903 -1.430 1.00 0.00 C ATOM 19 CD GLU A 2 -7.713 21.129 -2.060 1.00 0.00 C ATOM 20 OE1 GLU A 2 -7.216 21.593 -3.073 1.00 0.00 O ATOM 21 OE2 GLU A 2 -8.707 21.584 -1.517 1.00 0.00 O ATOM 0 H GLU A 2 -9.332 19.038 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.652 17.445 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.734 18.397 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.432 19.461 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.736 19.423 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.173 20.204 -0.857 1.00 0.00 H new ATOM 28 N VAL A 3 -8.879 16.497 -1.129 1.00 0.00 N ATOM 29 CA VAL A 3 -8.907 15.458 -0.059 1.00 0.00 C ATOM 30 C VAL A 3 -9.673 14.232 -0.559 1.00 0.00 C ATOM 31 O VAL A 3 -10.735 13.910 -0.064 1.00 0.00 O ATOM 32 CB VAL A 3 -9.608 16.020 1.180 1.00 0.00 C ATOM 33 CG1 VAL A 3 -9.677 14.941 2.261 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.825 17.222 1.711 1.00 0.00 C ATOM 0 H VAL A 3 -9.788 16.885 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.886 15.173 0.196 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.617 16.333 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.176 15.341 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.236 14.084 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.668 14.627 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.325 17.621 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.815 16.910 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.776 17.993 0.942 1.00 0.00 H new ATOM 44 N ARG A 4 -9.149 13.544 -1.536 1.00 0.00 N ATOM 45 CA ARG A 4 -9.858 12.341 -2.058 1.00 0.00 C ATOM 46 C ARG A 4 -9.722 11.190 -1.053 1.00 0.00 C ATOM 47 O ARG A 4 -10.709 10.620 -0.635 1.00 0.00 O ATOM 48 CB ARG A 4 -9.253 11.928 -3.402 1.00 0.00 C ATOM 49 CG ARG A 4 -10.256 12.205 -4.524 1.00 0.00 C ATOM 50 CD ARG A 4 -9.550 12.918 -5.679 1.00 0.00 C ATOM 51 NE ARG A 4 -9.129 11.916 -6.699 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.517 12.043 -7.938 1.00 0.00 C ATOM 53 NH1 ARG A 4 -9.671 13.233 -8.455 1.00 0.00 N ATOM 54 NH2 ARG A 4 -9.752 10.982 -8.661 1.00 0.00 N ATOM 0 H ARG A 4 -8.264 13.761 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.913 12.575 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.330 12.479 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.994 10.869 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.693 11.270 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.075 12.820 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.218 13.653 -6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.681 13.462 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.537 11.131 -6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.488 14.062 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.974 13.333 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.632 10.053 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.055 11.082 -9.630 1.00 0.00 H new ATOM 68 N PRO A 5 -8.499 10.884 -0.695 1.00 0.00 N ATOM 69 CA PRO A 5 -8.201 9.804 0.262 1.00 0.00 C ATOM 70 C PRO A 5 -8.433 10.283 1.703 1.00 0.00 C ATOM 71 O PRO A 5 -7.726 11.148 2.181 1.00 0.00 O ATOM 72 CB PRO A 5 -6.716 9.519 0.029 1.00 0.00 C ATOM 73 CG PRO A 5 -6.121 10.799 -0.606 1.00 0.00 C ATOM 74 CD PRO A 5 -7.301 11.581 -1.211 1.00 0.00 C ATOM 0 HA PRO A 5 -8.832 8.926 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.214 9.281 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.584 8.661 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.603 11.398 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.390 10.546 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.285 12.627 -0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.271 11.568 -2.301 1.00 0.00 H new ATOM 82 N PRO A 6 -9.407 9.704 2.356 1.00 0.00 N ATOM 83 CA PRO A 6 -9.740 10.050 3.748 1.00 0.00 C ATOM 84 C PRO A 6 -8.742 9.385 4.698 1.00 0.00 C ATOM 85 O PRO A 6 -7.769 9.983 5.113 1.00 0.00 O ATOM 86 CB PRO A 6 -11.147 9.481 3.935 1.00 0.00 C ATOM 87 CG PRO A 6 -11.314 8.372 2.869 1.00 0.00 C ATOM 88 CD PRO A 6 -10.268 8.653 1.773 1.00 0.00 C ATOM 0 HA PRO A 6 -9.697 11.119 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.272 9.076 4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.900 10.258 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.160 7.386 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.322 8.382 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.695 7.758 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.739 8.990 0.850 1.00 0.00 H new ATOM 96 N PHE A 7 -8.970 8.145 5.039 1.00 0.00 N ATOM 97 CA PHE A 7 -8.028 7.439 5.952 1.00 0.00 C ATOM 98 C PHE A 7 -7.948 5.961 5.562 1.00 0.00 C ATOM 99 O PHE A 7 -7.424 5.144 6.293 1.00 0.00 O ATOM 100 CB PHE A 7 -8.522 7.559 7.394 1.00 0.00 C ATOM 101 CG PHE A 7 -7.334 7.679 8.317 1.00 0.00 C ATOM 102 CD1 PHE A 7 -6.702 8.916 8.488 1.00 0.00 C ATOM 103 CD2 PHE A 7 -6.861 6.551 9.000 1.00 0.00 C ATOM 104 CE1 PHE A 7 -5.599 9.027 9.342 1.00 0.00 C ATOM 105 CE2 PHE A 7 -5.758 6.662 9.854 1.00 0.00 C ATOM 106 CZ PHE A 7 -5.126 7.899 10.024 1.00 0.00 C ATOM 0 H PHE A 7 -9.767 7.592 4.725 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.040 7.891 5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.168 8.431 7.498 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.118 6.686 7.661 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.066 9.785 7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.348 5.596 8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.113 9.982 9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.394 5.793 10.382 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.273 7.984 10.681 1.00 0.00 H new ATOM 116 N THR A 8 -8.464 5.610 4.415 1.00 0.00 N ATOM 117 CA THR A 8 -8.415 4.186 3.982 1.00 0.00 C ATOM 118 C THR A 8 -7.179 3.957 3.108 1.00 0.00 C ATOM 119 O THR A 8 -7.284 3.598 1.953 1.00 0.00 O ATOM 120 CB THR A 8 -9.673 3.857 3.176 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.607 4.919 3.309 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.293 2.560 3.699 1.00 0.00 C ATOM 0 H THR A 8 -8.917 6.248 3.760 1.00 0.00 H new ATOM 0 HA THR A 8 -8.363 3.542 4.860 1.00 0.00 H new ATOM 0 HB THR A 8 -9.410 3.732 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.414 4.712 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.189 2.327 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.575 1.746 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.558 2.681 4.749 1.00 0.00 H new ATOM 130 N TYR A 9 -6.008 4.160 3.649 1.00 0.00 N ATOM 131 CA TYR A 9 -4.772 3.949 2.843 1.00 0.00 C ATOM 132 C TYR A 9 -4.671 2.473 2.448 1.00 0.00 C ATOM 133 O TYR A 9 -3.911 2.104 1.575 1.00 0.00 O ATOM 134 CB TYR A 9 -3.542 4.341 3.668 1.00 0.00 C ATOM 135 CG TYR A 9 -3.325 5.833 3.577 1.00 0.00 C ATOM 136 CD1 TYR A 9 -4.388 6.712 3.813 1.00 0.00 C ATOM 137 CD2 TYR A 9 -2.057 6.337 3.259 1.00 0.00 C ATOM 138 CE1 TYR A 9 -4.185 8.094 3.730 1.00 0.00 C ATOM 139 CE2 TYR A 9 -1.853 7.720 3.177 1.00 0.00 C ATOM 140 CZ TYR A 9 -2.918 8.598 3.413 1.00 0.00 C ATOM 141 OH TYR A 9 -2.718 9.961 3.331 1.00 0.00 O ATOM 0 H TYR A 9 -5.854 4.462 4.611 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.815 4.567 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.680 4.046 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.662 3.812 3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.365 6.324 4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.237 5.659 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.006 8.772 3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.876 8.109 2.932 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.782 10.141 3.103 1.00 0.00 H new ATOM 151 N ALA A 10 -5.432 1.627 3.086 1.00 0.00 N ATOM 152 CA ALA A 10 -5.383 0.177 2.751 1.00 0.00 C ATOM 153 C ALA A 10 -5.794 -0.028 1.290 1.00 0.00 C ATOM 154 O ALA A 10 -5.316 -0.923 0.620 1.00 0.00 O ATOM 155 CB ALA A 10 -6.346 -0.587 3.661 1.00 0.00 C ATOM 0 H ALA A 10 -6.087 1.879 3.826 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.369 -0.194 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.312 -1.649 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.054 -0.444 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.359 -0.214 3.514 1.00 0.00 H new ATOM 161 N SER A 11 -6.676 0.792 0.790 1.00 0.00 N ATOM 162 CA SER A 11 -7.118 0.641 -0.625 1.00 0.00 C ATOM 163 C SER A 11 -6.086 1.280 -1.556 1.00 0.00 C ATOM 164 O SER A 11 -5.798 0.771 -2.621 1.00 0.00 O ATOM 165 CB SER A 11 -8.471 1.331 -0.813 1.00 0.00 C ATOM 166 OG SER A 11 -8.267 2.729 -0.972 1.00 0.00 O ATOM 0 H SER A 11 -7.110 1.561 1.300 1.00 0.00 H new ATOM 0 HA SER A 11 -7.213 -0.418 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.981 0.925 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.112 1.141 0.048 1.00 0.00 H new ATOM 0 HG SER A 11 -7.945 3.111 -0.129 1.00 0.00 H new ATOM 172 N LEU A 12 -5.528 2.393 -1.166 1.00 0.00 N ATOM 173 CA LEU A 12 -4.518 3.061 -2.034 1.00 0.00 C ATOM 174 C LEU A 12 -3.315 2.135 -2.232 1.00 0.00 C ATOM 175 O LEU A 12 -2.846 1.939 -3.336 1.00 0.00 O ATOM 176 CB LEU A 12 -4.062 4.362 -1.372 1.00 0.00 C ATOM 177 CG LEU A 12 -5.043 5.480 -1.727 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.129 6.473 -0.568 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.556 6.204 -2.984 1.00 0.00 C ATOM 0 H LEU A 12 -5.727 2.868 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.963 3.283 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.013 4.235 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.058 4.623 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.029 5.053 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.828 7.269 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.476 5.958 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.144 6.901 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.254 7.001 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.570 6.630 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.496 5.497 -3.811 1.00 0.00 H new ATOM 191 N ILE A 13 -2.814 1.562 -1.173 1.00 0.00 N ATOM 192 CA ILE A 13 -1.645 0.648 -1.306 1.00 0.00 C ATOM 193 C ILE A 13 -2.003 -0.487 -2.266 1.00 0.00 C ATOM 194 O ILE A 13 -1.280 -0.777 -3.198 1.00 0.00 O ATOM 195 CB ILE A 13 -1.289 0.068 0.064 1.00 0.00 C ATOM 196 CG1 ILE A 13 -0.650 1.157 0.927 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.300 -1.085 -0.111 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.888 0.841 2.405 1.00 0.00 C ATOM 0 H ILE A 13 -3.163 1.687 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.790 1.201 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.194 -0.299 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.419 1.216 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.076 2.129 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.046 -1.498 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.752 -1.862 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.605 -0.718 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.433 1.617 3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.960 0.804 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.441 -0.123 2.647 1.00 0.00 H new ATOM 210 N ARG A 14 -3.118 -1.129 -2.049 1.00 0.00 N ATOM 211 CA ARG A 14 -3.523 -2.240 -2.953 1.00 0.00 C ATOM 212 C ARG A 14 -3.535 -1.734 -4.396 1.00 0.00 C ATOM 213 O ARG A 14 -3.271 -2.470 -5.325 1.00 0.00 O ATOM 214 CB ARG A 14 -4.923 -2.726 -2.570 1.00 0.00 C ATOM 215 CG ARG A 14 -5.316 -3.904 -3.463 1.00 0.00 C ATOM 216 CD ARG A 14 -6.791 -4.243 -3.243 1.00 0.00 C ATOM 217 NE ARG A 14 -7.640 -3.284 -4.004 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.580 -3.250 -5.307 1.00 0.00 C ATOM 219 NH1 ARG A 14 -6.997 -4.218 -5.959 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.103 -2.245 -5.957 1.00 0.00 N ATOM 0 H ARG A 14 -3.765 -0.932 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.817 -3.065 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.941 -3.028 -1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.644 -1.916 -2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.142 -3.654 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.695 -4.770 -3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.993 -5.263 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.032 -4.195 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.269 -2.654 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.588 -5.002 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.950 -4.191 -6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.557 -1.488 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.057 -2.217 -6.976 1.00 0.00 H new ATOM 234 N GLN A 15 -3.838 -0.478 -4.590 1.00 0.00 N ATOM 235 CA GLN A 15 -3.865 0.077 -5.970 1.00 0.00 C ATOM 236 C GLN A 15 -2.477 -0.063 -6.599 1.00 0.00 C ATOM 237 O GLN A 15 -2.297 -0.765 -7.573 1.00 0.00 O ATOM 238 CB GLN A 15 -4.257 1.555 -5.921 1.00 0.00 C ATOM 239 CG GLN A 15 -4.934 1.948 -7.235 1.00 0.00 C ATOM 240 CD GLN A 15 -4.842 3.463 -7.426 1.00 0.00 C ATOM 241 OE1 GLN A 15 -5.486 4.216 -6.722 1.00 0.00 O ATOM 242 NE2 GLN A 15 -4.064 3.945 -8.355 1.00 0.00 N ATOM 0 H GLN A 15 -4.068 0.186 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.594 -0.470 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.932 1.736 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.373 2.171 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.455 1.436 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.978 1.635 -7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.523 3.313 -8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.996 4.954 -8.491 1.00 0.00 H new ATOM 251 N ALA A 16 -1.493 0.596 -6.050 1.00 0.00 N ATOM 252 CA ALA A 16 -0.121 0.492 -6.623 1.00 0.00 C ATOM 253 C ALA A 16 0.286 -0.982 -6.694 1.00 0.00 C ATOM 254 O ALA A 16 1.079 -1.379 -7.525 1.00 0.00 O ATOM 255 CB ALA A 16 0.868 1.250 -5.734 1.00 0.00 C ATOM 0 H ALA A 16 -1.579 1.200 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.112 0.925 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.870 1.172 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.578 2.299 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.861 0.819 -4.733 1.00 0.00 H new ATOM 261 N ILE A 17 -0.254 -1.795 -5.828 1.00 0.00 N ATOM 262 CA ILE A 17 0.096 -3.243 -5.840 1.00 0.00 C ATOM 263 C ILE A 17 -0.548 -3.910 -7.064 1.00 0.00 C ATOM 264 O ILE A 17 0.026 -4.790 -7.673 1.00 0.00 O ATOM 265 CB ILE A 17 -0.408 -3.891 -4.538 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.689 -3.795 -3.472 1.00 0.00 C ATOM 267 CG2 ILE A 17 -0.756 -5.368 -4.763 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.721 -2.381 -2.893 1.00 0.00 C ATOM 0 H ILE A 17 -0.924 -1.518 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 17 1.177 -3.371 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.305 -3.365 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.503 -4.519 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.657 -4.042 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.110 -5.805 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.537 -5.447 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.131 -5.903 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.502 -2.316 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.928 -1.666 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.244 -2.151 -2.441 1.00 0.00 H new ATOM 280 N LEU A 18 -1.733 -3.499 -7.429 1.00 0.00 N ATOM 281 CA LEU A 18 -2.399 -4.117 -8.611 1.00 0.00 C ATOM 282 C LEU A 18 -1.615 -3.764 -9.879 1.00 0.00 C ATOM 283 O LEU A 18 -1.694 -4.448 -10.881 1.00 0.00 O ATOM 284 CB LEU A 18 -3.840 -3.597 -8.720 1.00 0.00 C ATOM 285 CG LEU A 18 -3.857 -2.222 -9.395 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.211 -2.385 -10.874 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.903 -1.334 -8.716 1.00 0.00 C ATOM 0 H LEU A 18 -2.266 -2.765 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.421 -5.201 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.445 -4.299 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.286 -3.529 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.874 -1.760 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.223 -1.407 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.468 -3.018 -11.358 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.195 -2.846 -10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.916 -0.355 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.886 -1.796 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.653 -1.218 -7.662 1.00 0.00 H new ATOM 299 N GLU A 19 -0.863 -2.697 -9.844 1.00 0.00 N ATOM 300 CA GLU A 19 -0.077 -2.295 -11.044 1.00 0.00 C ATOM 301 C GLU A 19 0.977 -3.363 -11.348 1.00 0.00 C ATOM 302 O GLU A 19 1.517 -3.423 -12.435 1.00 0.00 O ATOM 303 CB GLU A 19 0.615 -0.958 -10.774 1.00 0.00 C ATOM 304 CG GLU A 19 1.340 -0.492 -12.040 1.00 0.00 C ATOM 305 CD GLU A 19 1.549 1.022 -11.980 1.00 0.00 C ATOM 306 OE1 GLU A 19 0.731 1.690 -11.369 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.523 1.489 -12.548 1.00 0.00 O ATOM 0 H GLU A 19 -0.759 -2.086 -9.034 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.746 -2.193 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.119 -0.212 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.325 -1.063 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.301 -0.999 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.758 -0.755 -12.923 1.00 0.00 H new ATOM 314 N SER A 20 1.274 -4.206 -10.398 1.00 0.00 N ATOM 315 CA SER A 20 2.293 -5.268 -10.637 1.00 0.00 C ATOM 316 C SER A 20 1.648 -6.432 -11.396 1.00 0.00 C ATOM 317 O SER A 20 0.439 -6.537 -11.454 1.00 0.00 O ATOM 318 CB SER A 20 2.834 -5.764 -9.292 1.00 0.00 C ATOM 319 OG SER A 20 2.860 -7.186 -9.284 1.00 0.00 O ATOM 0 H SER A 20 0.856 -4.206 -9.468 1.00 0.00 H new ATOM 0 HA SER A 20 3.113 -4.863 -11.229 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.837 -5.371 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.208 -5.397 -8.479 1.00 0.00 H new ATOM 0 HG SER A 20 3.757 -7.495 -9.039 1.00 0.00 H new ATOM 325 N PRO A 21 2.480 -7.276 -11.951 1.00 0.00 N ATOM 326 CA PRO A 21 2.027 -8.451 -12.714 1.00 0.00 C ATOM 327 C PRO A 21 1.583 -9.557 -11.754 1.00 0.00 C ATOM 328 O PRO A 21 0.741 -10.373 -12.073 1.00 0.00 O ATOM 329 CB PRO A 21 3.270 -8.870 -13.503 1.00 0.00 C ATOM 330 CG PRO A 21 4.486 -8.287 -12.743 1.00 0.00 C ATOM 331 CD PRO A 21 3.949 -7.136 -11.871 1.00 0.00 C ATOM 0 HA PRO A 21 1.174 -8.247 -13.362 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.339 -9.956 -13.572 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.230 -8.488 -14.523 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.961 -9.051 -12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.242 -7.925 -13.440 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.301 -7.217 -10.843 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.278 -6.166 -12.245 1.00 0.00 H new ATOM 339 N GLU A 22 2.140 -9.582 -10.574 1.00 0.00 N ATOM 340 CA GLU A 22 1.753 -10.617 -9.586 1.00 0.00 C ATOM 341 C GLU A 22 1.160 -9.930 -8.354 1.00 0.00 C ATOM 342 O GLU A 22 1.073 -10.504 -7.287 1.00 0.00 O ATOM 343 CB GLU A 22 2.987 -11.426 -9.183 1.00 0.00 C ATOM 344 CG GLU A 22 2.590 -12.490 -8.156 1.00 0.00 C ATOM 345 CD GLU A 22 3.306 -13.803 -8.479 1.00 0.00 C ATOM 346 OE1 GLU A 22 3.010 -14.377 -9.513 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.137 -14.212 -7.685 1.00 0.00 O ATOM 0 H GLU A 22 2.851 -8.924 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 22 1.014 -11.289 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.427 -11.899 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.746 -10.766 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.853 -12.157 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.510 -12.639 -8.170 1.00 0.00 H new ATOM 354 N LYS A 23 0.750 -8.701 -8.503 1.00 0.00 N ATOM 355 CA LYS A 23 0.156 -7.959 -7.358 1.00 0.00 C ATOM 356 C LYS A 23 1.171 -7.864 -6.221 1.00 0.00 C ATOM 357 O LYS A 23 0.814 -7.805 -5.061 1.00 0.00 O ATOM 358 CB LYS A 23 -1.095 -8.693 -6.879 1.00 0.00 C ATOM 359 CG LYS A 23 -1.902 -7.784 -5.952 1.00 0.00 C ATOM 360 CD LYS A 23 -3.353 -8.267 -5.903 1.00 0.00 C ATOM 361 CE LYS A 23 -4.225 -7.350 -6.761 1.00 0.00 C ATOM 362 NZ LYS A 23 -5.416 -8.104 -7.246 1.00 0.00 N ATOM 0 H LYS A 23 0.802 -8.176 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.113 -6.951 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.704 -8.990 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.814 -9.606 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.471 -7.792 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.862 -6.755 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.418 -9.293 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.712 -8.269 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.542 -6.484 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.651 -6.973 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.000 -7.484 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.104 -8.926 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.977 -8.428 -6.432 1.00 0.00 H new ATOM 376 N GLN A 24 2.431 -7.844 -6.555 1.00 0.00 N ATOM 377 CA GLN A 24 3.494 -7.750 -5.512 1.00 0.00 C ATOM 378 C GLN A 24 4.517 -6.694 -5.917 1.00 0.00 C ATOM 379 O GLN A 24 4.926 -6.624 -7.059 1.00 0.00 O ATOM 380 CB GLN A 24 4.219 -9.094 -5.368 1.00 0.00 C ATOM 381 CG GLN A 24 3.811 -10.052 -6.490 1.00 0.00 C ATOM 382 CD GLN A 24 4.907 -11.103 -6.688 1.00 0.00 C ATOM 383 OE1 GLN A 24 5.488 -11.201 -7.751 1.00 0.00 O ATOM 384 NE2 GLN A 24 5.218 -11.896 -5.700 1.00 0.00 N ATOM 0 H GLN A 24 2.774 -7.889 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 24 3.025 -7.482 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.297 -8.936 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.984 -9.538 -4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.867 -10.538 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.652 -9.498 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.731 -11.814 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.948 -12.598 -5.820 1.00 0.00 H new ATOM 393 N LEU A 25 4.957 -5.883 -4.992 1.00 0.00 N ATOM 394 CA LEU A 25 5.972 -4.862 -5.360 1.00 0.00 C ATOM 395 C LEU A 25 6.713 -4.348 -4.121 1.00 0.00 C ATOM 396 O LEU A 25 6.183 -4.324 -3.030 1.00 0.00 O ATOM 397 CB LEU A 25 5.301 -3.698 -6.088 1.00 0.00 C ATOM 398 CG LEU A 25 3.987 -3.340 -5.392 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.280 -2.748 -4.013 1.00 0.00 C ATOM 400 CD2 LEU A 25 3.232 -2.309 -6.236 1.00 0.00 C ATOM 0 H LEU A 25 4.662 -5.884 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 25 6.701 -5.330 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.964 -2.833 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.111 -3.968 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 25 3.380 -4.239 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.342 -2.494 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.821 -3.478 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.887 -1.849 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.295 -2.051 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.842 -1.413 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.021 -2.728 -7.220 1.00 0.00 H new ATOM 412 N THR A 26 7.948 -3.954 -4.290 1.00 0.00 N ATOM 413 CA THR A 26 8.751 -3.457 -3.135 1.00 0.00 C ATOM 414 C THR A 26 8.162 -2.153 -2.591 1.00 0.00 C ATOM 415 O THR A 26 7.462 -1.431 -3.278 1.00 0.00 O ATOM 416 CB THR A 26 10.192 -3.203 -3.593 1.00 0.00 C ATOM 417 OG1 THR A 26 10.223 -2.059 -4.436 1.00 0.00 O ATOM 418 CG2 THR A 26 10.710 -4.419 -4.363 1.00 0.00 C ATOM 0 H THR A 26 8.438 -3.955 -5.185 1.00 0.00 H new ATOM 0 HA THR A 26 8.732 -4.209 -2.346 1.00 0.00 H new ATOM 0 HB THR A 26 10.825 -3.033 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.655 -2.214 -5.219 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.734 -4.235 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.686 -5.296 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.079 -4.593 -5.235 1.00 0.00 H new ATOM 426 N LEU A 27 8.457 -1.843 -1.356 1.00 0.00 N ATOM 427 CA LEU A 27 7.934 -0.586 -0.756 1.00 0.00 C ATOM 428 C LEU A 27 8.473 0.605 -1.549 1.00 0.00 C ATOM 429 O LEU A 27 7.802 1.602 -1.726 1.00 0.00 O ATOM 430 CB LEU A 27 8.402 -0.483 0.699 1.00 0.00 C ATOM 431 CG LEU A 27 7.349 0.259 1.523 1.00 0.00 C ATOM 432 CD1 LEU A 27 7.478 -0.138 2.996 1.00 0.00 C ATOM 433 CD2 LEU A 27 7.564 1.768 1.382 1.00 0.00 C ATOM 0 H LEU A 27 9.039 -2.409 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 27 6.844 -0.587 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.566 -1.479 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.355 0.043 0.749 1.00 0.00 H new ATOM 0 HG LEU A 27 6.354 -0.004 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.727 0.391 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.327 -1.213 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.472 0.124 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.814 2.299 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.559 2.029 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.472 2.052 0.334 1.00 0.00 H new ATOM 445 N ASN A 28 9.684 0.506 -2.030 1.00 0.00 N ATOM 446 CA ASN A 28 10.265 1.631 -2.815 1.00 0.00 C ATOM 447 C ASN A 28 9.286 2.033 -3.920 1.00 0.00 C ATOM 448 O ASN A 28 8.968 3.193 -4.091 1.00 0.00 O ATOM 449 CB ASN A 28 11.588 1.188 -3.443 1.00 0.00 C ATOM 450 CG ASN A 28 12.552 2.376 -3.492 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.317 3.334 -4.200 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.635 2.352 -2.764 1.00 0.00 N ATOM 0 H ASN A 28 10.293 -0.303 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 28 10.445 2.481 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.025 0.375 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.415 0.804 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.284 3.138 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.832 1.547 -2.169 1.00 0.00 H new ATOM 459 N GLU A 29 8.802 1.079 -4.669 1.00 0.00 N ATOM 460 CA GLU A 29 7.841 1.405 -5.759 1.00 0.00 C ATOM 461 C GLU A 29 6.666 2.192 -5.177 1.00 0.00 C ATOM 462 O GLU A 29 6.252 3.198 -5.717 1.00 0.00 O ATOM 463 CB GLU A 29 7.327 0.109 -6.386 1.00 0.00 C ATOM 464 CG GLU A 29 8.016 -0.114 -7.733 1.00 0.00 C ATOM 465 CD GLU A 29 8.316 -1.603 -7.913 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.622 -2.248 -6.924 1.00 0.00 O ATOM 467 OE2 GLU A 29 8.233 -2.073 -9.036 1.00 0.00 O ATOM 0 H GLU A 29 9.031 0.090 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 29 8.339 2.004 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.524 -0.732 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.247 0.162 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.378 0.240 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.940 0.462 -7.781 1.00 0.00 H new ATOM 474 N ILE A 30 6.126 1.741 -4.079 1.00 0.00 N ATOM 475 CA ILE A 30 4.976 2.465 -3.463 1.00 0.00 C ATOM 476 C ILE A 30 5.422 3.865 -3.030 1.00 0.00 C ATOM 477 O ILE A 30 4.684 4.825 -3.137 1.00 0.00 O ATOM 478 CB ILE A 30 4.482 1.687 -2.242 1.00 0.00 C ATOM 479 CG1 ILE A 30 3.753 0.422 -2.703 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.520 2.558 -1.432 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.675 -0.575 -1.545 1.00 0.00 C ATOM 0 H ILE A 30 6.430 0.904 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 30 4.170 2.552 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 30 5.335 1.413 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.750 0.673 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.278 -0.026 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.169 2.002 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.036 3.460 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.668 2.834 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.156 -1.475 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.682 -0.835 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.131 -0.126 -0.714 1.00 0.00 H new ATOM 493 N TYR A 31 6.625 3.989 -2.538 1.00 0.00 N ATOM 494 CA TYR A 31 7.122 5.322 -2.093 1.00 0.00 C ATOM 495 C TYR A 31 7.276 6.250 -3.303 1.00 0.00 C ATOM 496 O TYR A 31 6.956 7.419 -3.242 1.00 0.00 O ATOM 497 CB TYR A 31 8.478 5.148 -1.406 1.00 0.00 C ATOM 498 CG TYR A 31 9.065 6.502 -1.081 1.00 0.00 C ATOM 499 CD1 TYR A 31 8.268 7.489 -0.486 1.00 0.00 C ATOM 500 CD2 TYR A 31 10.408 6.769 -1.373 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.816 8.741 -0.184 1.00 0.00 C ATOM 502 CE2 TYR A 31 10.954 8.022 -1.071 1.00 0.00 C ATOM 503 CZ TYR A 31 10.158 9.008 -0.476 1.00 0.00 C ATOM 504 OH TYR A 31 10.699 10.241 -0.177 1.00 0.00 O ATOM 0 H TYR A 31 7.287 3.221 -2.425 1.00 0.00 H new ATOM 0 HA TYR A 31 6.409 5.761 -1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.361 4.564 -0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.156 4.594 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.232 7.284 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.023 6.008 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.202 9.502 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.990 8.228 -1.297 1.00 0.00 H new ATOM 0 HH TYR A 31 11.642 10.258 -0.444 1.00 0.00 H new ATOM 514 N ASN A 32 7.769 5.741 -4.399 1.00 0.00 N ATOM 515 CA ASN A 32 7.944 6.602 -5.604 1.00 0.00 C ATOM 516 C ASN A 32 6.578 7.072 -6.109 1.00 0.00 C ATOM 517 O ASN A 32 6.403 8.214 -6.484 1.00 0.00 O ATOM 518 CB ASN A 32 8.642 5.800 -6.705 1.00 0.00 C ATOM 519 CG ASN A 32 10.144 5.741 -6.421 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.680 6.598 -5.747 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.849 4.759 -6.911 1.00 0.00 N ATOM 0 H ASN A 32 8.058 4.769 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 32 8.549 7.469 -5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.230 4.792 -6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.463 6.263 -7.676 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.851 4.710 -6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.398 4.040 -7.477 1.00 0.00 H new ATOM 528 N TRP A 33 5.611 6.198 -6.127 1.00 0.00 N ATOM 529 CA TRP A 33 4.258 6.582 -6.613 1.00 0.00 C ATOM 530 C TRP A 33 3.632 7.607 -5.661 1.00 0.00 C ATOM 531 O TRP A 33 3.199 8.666 -6.071 1.00 0.00 O ATOM 532 CB TRP A 33 3.377 5.333 -6.673 1.00 0.00 C ATOM 533 CG TRP A 33 2.006 5.701 -7.143 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.702 6.147 -8.383 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.753 5.657 -6.404 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.339 6.378 -8.452 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.289 6.093 -7.256 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.422 5.287 -5.088 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.613 6.156 -6.820 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.910 5.350 -4.645 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.924 5.784 -5.510 1.00 0.00 C ATOM 0 H TRP A 33 5.701 5.228 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 33 4.340 7.025 -7.605 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.817 4.598 -7.347 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.321 4.869 -5.688 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.407 6.298 -9.187 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.143 6.717 -9.285 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.196 4.952 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.391 6.490 -7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.154 5.063 -3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.946 5.831 -5.164 1.00 0.00 H new ATOM 552 N PHE A 34 3.572 7.294 -4.397 1.00 0.00 N ATOM 553 CA PHE A 34 2.966 8.240 -3.412 1.00 0.00 C ATOM 554 C PHE A 34 3.608 9.627 -3.530 1.00 0.00 C ATOM 555 O PHE A 34 2.943 10.637 -3.423 1.00 0.00 O ATOM 556 CB PHE A 34 3.197 7.702 -2.000 1.00 0.00 C ATOM 557 CG PHE A 34 1.974 6.947 -1.534 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.769 5.627 -1.948 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.048 7.568 -0.688 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.637 4.926 -1.517 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.084 6.868 -0.255 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.290 5.546 -0.670 1.00 0.00 C ATOM 0 H PHE A 34 3.917 6.420 -4.000 1.00 0.00 H new ATOM 0 HA PHE A 34 1.899 8.328 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.067 7.046 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.410 8.525 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.484 5.149 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.207 8.588 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.478 3.907 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.798 7.347 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.163 5.005 -0.337 1.00 0.00 H new ATOM 572 N THR A 35 4.895 9.687 -3.725 1.00 0.00 N ATOM 573 CA THR A 35 5.577 11.011 -3.820 1.00 0.00 C ATOM 574 C THR A 35 5.216 11.721 -5.130 1.00 0.00 C ATOM 575 O THR A 35 4.833 12.875 -5.131 1.00 0.00 O ATOM 576 CB THR A 35 7.093 10.800 -3.767 1.00 0.00 C ATOM 577 OG1 THR A 35 7.405 9.506 -4.261 1.00 0.00 O ATOM 578 CG2 THR A 35 7.579 10.929 -2.323 1.00 0.00 C ATOM 0 H THR A 35 5.506 8.877 -3.823 1.00 0.00 H new ATOM 0 HA THR A 35 5.249 11.631 -2.986 1.00 0.00 H new ATOM 0 HB THR A 35 7.587 11.553 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.339 8.853 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.658 10.779 -2.287 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.339 11.923 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.087 10.178 -1.705 1.00 0.00 H new ATOM 586 N ARG A 36 5.357 11.058 -6.242 1.00 0.00 N ATOM 587 CA ARG A 36 5.048 11.713 -7.547 1.00 0.00 C ATOM 588 C ARG A 36 3.544 11.957 -7.693 1.00 0.00 C ATOM 589 O ARG A 36 3.122 12.920 -8.299 1.00 0.00 O ATOM 590 CB ARG A 36 5.529 10.814 -8.688 1.00 0.00 C ATOM 591 CG ARG A 36 6.456 11.610 -9.607 1.00 0.00 C ATOM 592 CD ARG A 36 7.897 11.489 -9.109 1.00 0.00 C ATOM 593 NE ARG A 36 8.800 12.263 -10.008 1.00 0.00 N ATOM 594 CZ ARG A 36 9.981 12.626 -9.591 1.00 0.00 C ATOM 595 NH1 ARG A 36 10.679 11.828 -8.828 1.00 0.00 N ATOM 596 NH2 ARG A 36 10.467 13.786 -9.938 1.00 0.00 N ATOM 0 H ARG A 36 5.673 10.090 -6.306 1.00 0.00 H new ATOM 0 HA ARG A 36 5.560 12.675 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.054 9.947 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.676 10.437 -9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.381 11.237 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.154 12.657 -9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.973 11.864 -8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.199 10.442 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 36 8.494 12.509 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.300 10.920 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.603 12.113 -8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.923 14.409 -10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.391 14.070 -9.612 1.00 0.00 H new ATOM 610 N MET A 37 2.732 11.091 -7.159 1.00 0.00 N ATOM 611 CA MET A 37 1.260 11.280 -7.290 1.00 0.00 C ATOM 612 C MET A 37 0.763 12.295 -6.259 1.00 0.00 C ATOM 613 O MET A 37 0.080 13.243 -6.593 1.00 0.00 O ATOM 614 CB MET A 37 0.558 9.940 -7.079 1.00 0.00 C ATOM 615 CG MET A 37 -0.514 9.755 -8.154 1.00 0.00 C ATOM 616 SD MET A 37 0.280 9.519 -9.764 1.00 0.00 S ATOM 617 CE MET A 37 0.091 11.215 -10.366 1.00 0.00 C ATOM 0 H MET A 37 3.021 10.263 -6.639 1.00 0.00 H new ATOM 0 HA MET A 37 1.034 11.658 -8.287 1.00 0.00 H new ATOM 0 HB2 MET A 37 1.281 9.126 -7.127 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.105 9.906 -6.088 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.139 8.894 -7.915 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.169 10.626 -8.184 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.375 11.202 -11.351 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.537 11.778 -9.676 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.071 11.688 -10.434 1.00 0.00 H new ATOM 627 N PHE A 38 1.092 12.113 -5.009 1.00 0.00 N ATOM 628 CA PHE A 38 0.623 13.085 -3.978 1.00 0.00 C ATOM 629 C PHE A 38 1.825 13.717 -3.280 1.00 0.00 C ATOM 630 O PHE A 38 2.333 13.180 -2.316 1.00 0.00 O ATOM 631 CB PHE A 38 -0.236 12.380 -2.925 1.00 0.00 C ATOM 632 CG PHE A 38 -0.872 11.144 -3.516 1.00 0.00 C ATOM 633 CD1 PHE A 38 -1.473 11.209 -4.776 1.00 0.00 C ATOM 634 CD2 PHE A 38 -0.865 9.939 -2.804 1.00 0.00 C ATOM 635 CE1 PHE A 38 -2.072 10.070 -5.328 1.00 0.00 C ATOM 636 CE2 PHE A 38 -1.462 8.799 -3.354 1.00 0.00 C ATOM 637 CZ PHE A 38 -2.065 8.865 -4.616 1.00 0.00 C ATOM 0 H PHE A 38 1.660 11.341 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 38 0.030 13.851 -4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.378 12.107 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.009 13.058 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.475 12.139 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.399 9.889 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.538 10.121 -6.301 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.458 7.869 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.525 7.985 -5.041 1.00 0.00 H new ATOM 647 N PRO A 39 2.234 14.853 -3.776 1.00 0.00 N ATOM 648 CA PRO A 39 3.364 15.601 -3.207 1.00 0.00 C ATOM 649 C PRO A 39 2.903 16.405 -1.984 1.00 0.00 C ATOM 650 O PRO A 39 3.555 17.346 -1.573 1.00 0.00 O ATOM 651 CB PRO A 39 3.777 16.539 -4.344 1.00 0.00 C ATOM 652 CG PRO A 39 2.538 16.689 -5.260 1.00 0.00 C ATOM 653 CD PRO A 39 1.617 15.493 -4.955 1.00 0.00 C ATOM 0 HA PRO A 39 4.179 14.961 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.091 17.507 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.622 16.129 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.026 17.632 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.831 16.694 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.598 15.818 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.564 14.806 -5.799 1.00 0.00 H new ATOM 661 N TYR A 40 1.782 16.058 -1.401 1.00 0.00 N ATOM 662 CA TYR A 40 1.299 16.825 -0.221 1.00 0.00 C ATOM 663 C TYR A 40 1.342 15.957 1.042 1.00 0.00 C ATOM 664 O TYR A 40 1.852 16.368 2.066 1.00 0.00 O ATOM 665 CB TYR A 40 -0.133 17.320 -0.475 1.00 0.00 C ATOM 666 CG TYR A 40 -1.132 16.221 -0.184 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.550 15.985 1.133 1.00 0.00 C ATOM 668 CD2 TYR A 40 -1.640 15.441 -1.229 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.474 14.968 1.402 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.566 14.425 -0.959 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.983 14.190 0.357 1.00 0.00 C ATOM 672 OH TYR A 40 -3.894 13.188 0.622 1.00 0.00 O ATOM 0 H TYR A 40 1.187 15.282 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 40 1.954 17.683 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.342 18.186 0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.233 17.646 -1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.159 16.587 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.318 15.622 -2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.794 14.784 2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.958 13.823 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.425 13.429 1.410 1.00 0.00 H new ATOM 682 N PHE A 41 0.801 14.771 0.993 1.00 0.00 N ATOM 683 CA PHE A 41 0.808 13.907 2.209 1.00 0.00 C ATOM 684 C PHE A 41 2.244 13.756 2.742 1.00 0.00 C ATOM 685 O PHE A 41 2.462 13.565 3.921 1.00 0.00 O ATOM 686 CB PHE A 41 0.210 12.532 1.860 1.00 0.00 C ATOM 687 CG PHE A 41 1.296 11.583 1.402 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.786 11.653 0.093 1.00 0.00 C ATOM 689 CD2 PHE A 41 1.816 10.641 2.294 1.00 0.00 C ATOM 690 CE1 PHE A 41 2.794 10.781 -0.324 1.00 0.00 C ATOM 691 CE2 PHE A 41 2.826 9.768 1.880 1.00 0.00 C ATOM 692 CZ PHE A 41 3.316 9.837 0.571 1.00 0.00 C ATOM 0 H PHE A 41 0.357 14.364 0.170 1.00 0.00 H new ATOM 0 HA PHE A 41 0.203 14.369 2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.299 12.119 2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.539 12.643 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.384 12.382 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.437 10.588 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.171 10.834 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.228 9.041 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.096 9.163 0.250 1.00 0.00 H new ATOM 702 N ARG A 42 3.219 13.833 1.878 1.00 0.00 N ATOM 703 CA ARG A 42 4.637 13.682 2.324 1.00 0.00 C ATOM 704 C ARG A 42 4.928 14.606 3.514 1.00 0.00 C ATOM 705 O ARG A 42 5.879 14.406 4.245 1.00 0.00 O ATOM 706 CB ARG A 42 5.567 14.050 1.166 1.00 0.00 C ATOM 707 CG ARG A 42 5.394 15.533 0.833 1.00 0.00 C ATOM 708 CD ARG A 42 6.749 16.236 0.918 1.00 0.00 C ATOM 709 NE ARG A 42 7.562 15.892 -0.282 1.00 0.00 N ATOM 710 CZ ARG A 42 8.686 16.512 -0.508 1.00 0.00 C ATOM 711 NH1 ARG A 42 9.762 16.174 0.151 1.00 0.00 N ATOM 712 NH2 ARG A 42 8.736 17.469 -1.394 1.00 0.00 N ATOM 0 H ARG A 42 3.096 13.995 0.878 1.00 0.00 H new ATOM 0 HA ARG A 42 4.803 12.649 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.603 13.844 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.338 13.440 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.976 15.646 -0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.690 15.993 1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.608 17.315 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.272 15.932 1.825 1.00 0.00 H new ATOM 0 HE ARG A 42 7.239 15.171 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.722 15.425 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.642 16.659 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.896 17.731 -1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.615 17.955 -1.571 1.00 0.00 H new ATOM 726 N ARG A 43 4.130 15.617 3.711 1.00 0.00 N ATOM 727 CA ARG A 43 4.373 16.552 4.846 1.00 0.00 C ATOM 728 C ARG A 43 4.183 15.819 6.174 1.00 0.00 C ATOM 729 O ARG A 43 5.133 15.398 6.805 1.00 0.00 O ATOM 730 CB ARG A 43 3.388 17.719 4.761 1.00 0.00 C ATOM 731 CG ARG A 43 3.696 18.559 3.519 1.00 0.00 C ATOM 732 CD ARG A 43 2.633 19.647 3.359 1.00 0.00 C ATOM 733 NE ARG A 43 3.293 20.982 3.305 1.00 0.00 N ATOM 734 CZ ARG A 43 3.110 21.840 4.269 1.00 0.00 C ATOM 735 NH1 ARG A 43 3.822 21.757 5.359 1.00 0.00 N ATOM 736 NH2 ARG A 43 2.215 22.782 4.143 1.00 0.00 N ATOM 0 H ARG A 43 3.318 15.837 3.134 1.00 0.00 H new ATOM 0 HA ARG A 43 5.394 16.929 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.366 17.343 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.460 18.336 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.683 19.012 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.717 17.923 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.057 19.477 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.931 19.610 4.192 1.00 0.00 H new ATOM 0 HE ARG A 43 3.888 21.225 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.521 21.021 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.679 22.428 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.659 22.846 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.072 23.453 4.897 1.00 0.00 H new ATOM 750 N ASN A 44 2.963 15.668 6.611 1.00 0.00 N ATOM 751 CA ASN A 44 2.714 14.971 7.904 1.00 0.00 C ATOM 752 C ASN A 44 2.921 13.463 7.731 1.00 0.00 C ATOM 753 O ASN A 44 1.995 12.729 7.450 1.00 0.00 O ATOM 754 CB ASN A 44 1.277 15.235 8.356 1.00 0.00 C ATOM 755 CG ASN A 44 1.250 15.455 9.870 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.563 14.561 10.631 1.00 0.00 O ATOM 757 ND2 ASN A 44 0.887 16.616 10.343 1.00 0.00 N ATOM 0 H ASN A 44 2.127 15.998 6.128 1.00 0.00 H new ATOM 0 HA ASN A 44 3.411 15.347 8.653 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.878 16.111 7.844 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.640 14.392 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.866 16.772 11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.624 17.367 9.705 1.00 0.00 H new ATOM 764 N ALA A 45 4.128 12.996 7.904 1.00 0.00 N ATOM 765 CA ALA A 45 4.392 11.535 7.759 1.00 0.00 C ATOM 766 C ALA A 45 4.102 10.833 9.084 1.00 0.00 C ATOM 767 O ALA A 45 4.120 9.625 9.173 1.00 0.00 O ATOM 768 CB ALA A 45 5.857 11.318 7.377 1.00 0.00 C ATOM 0 H ALA A 45 4.943 13.563 8.139 1.00 0.00 H new ATOM 0 HA ALA A 45 3.749 11.124 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.051 10.251 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.065 11.820 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.501 11.728 8.155 1.00 0.00 H new ATOM 774 N ALA A 46 3.835 11.578 10.117 1.00 0.00 N ATOM 775 CA ALA A 46 3.551 10.943 11.432 1.00 0.00 C ATOM 776 C ALA A 46 2.266 10.114 11.345 1.00 0.00 C ATOM 777 O ALA A 46 2.188 9.019 11.866 1.00 0.00 O ATOM 778 CB ALA A 46 3.384 12.031 12.495 1.00 0.00 C ATOM 0 H ALA A 46 3.801 12.597 10.109 1.00 0.00 H new ATOM 0 HA ALA A 46 4.381 10.289 11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.176 11.568 13.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.301 12.616 12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.556 12.684 12.220 1.00 0.00 H new ATOM 784 N THR A 47 1.250 10.635 10.716 1.00 0.00 N ATOM 785 CA THR A 47 -0.038 9.885 10.628 1.00 0.00 C ATOM 786 C THR A 47 -0.019 8.831 9.506 1.00 0.00 C ATOM 787 O THR A 47 -0.411 7.700 9.717 1.00 0.00 O ATOM 788 CB THR A 47 -1.169 10.874 10.355 1.00 0.00 C ATOM 789 OG1 THR A 47 -1.055 11.979 11.241 1.00 0.00 O ATOM 790 CG2 THR A 47 -2.518 10.186 10.564 1.00 0.00 C ATOM 0 H THR A 47 1.254 11.547 10.259 1.00 0.00 H new ATOM 0 HA THR A 47 -0.188 9.366 11.575 1.00 0.00 H new ATOM 0 HB THR A 47 -1.101 11.225 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.779 12.615 11.065 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.322 10.895 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.605 9.341 9.881 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.590 9.831 11.592 1.00 0.00 H new ATOM 798 N TRP A 48 0.373 9.187 8.308 1.00 0.00 N ATOM 799 CA TRP A 48 0.334 8.181 7.197 1.00 0.00 C ATOM 800 C TRP A 48 1.562 7.258 7.192 1.00 0.00 C ATOM 801 O TRP A 48 1.597 6.286 6.464 1.00 0.00 O ATOM 802 CB TRP A 48 0.191 8.895 5.843 1.00 0.00 C ATOM 803 CG TRP A 48 1.417 9.673 5.491 1.00 0.00 C ATOM 804 CD1 TRP A 48 1.540 11.017 5.593 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.677 9.187 4.942 1.00 0.00 C ATOM 806 NE1 TRP A 48 2.794 11.387 5.144 1.00 0.00 N ATOM 807 CE2 TRP A 48 3.536 10.293 4.741 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.155 7.907 4.608 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.824 10.135 4.225 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.450 7.744 4.089 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.283 8.856 3.899 1.00 0.00 C ATOM 0 H TRP A 48 0.713 10.114 8.051 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.536 7.546 7.367 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.008 8.159 5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.668 9.566 5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.782 11.691 5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.130 12.349 5.114 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.522 7.044 4.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.461 10.995 4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.806 6.757 3.835 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.278 8.724 3.501 1.00 0.00 H new ATOM 822 N LYS A 49 2.552 7.515 7.998 1.00 0.00 N ATOM 823 CA LYS A 49 3.734 6.604 8.014 1.00 0.00 C ATOM 824 C LYS A 49 3.500 5.521 9.066 1.00 0.00 C ATOM 825 O LYS A 49 3.841 4.370 8.876 1.00 0.00 O ATOM 826 CB LYS A 49 5.001 7.389 8.359 1.00 0.00 C ATOM 827 CG LYS A 49 6.233 6.547 8.021 1.00 0.00 C ATOM 828 CD LYS A 49 7.030 7.231 6.908 1.00 0.00 C ATOM 829 CE LYS A 49 8.060 8.181 7.524 1.00 0.00 C ATOM 830 NZ LYS A 49 8.959 8.698 6.454 1.00 0.00 N ATOM 0 H LYS A 49 2.597 8.306 8.640 1.00 0.00 H new ATOM 0 HA LYS A 49 3.861 6.152 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.024 8.326 7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.004 7.648 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.857 6.424 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.929 5.549 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.532 6.483 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.357 7.783 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.555 9.009 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.643 7.660 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.659 9.344 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.450 7.902 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.396 9.209 5.745 1.00 0.00 H new ATOM 844 N ASN A 50 2.907 5.880 10.171 1.00 0.00 N ATOM 845 CA ASN A 50 2.634 4.873 11.232 1.00 0.00 C ATOM 846 C ASN A 50 1.509 3.951 10.761 1.00 0.00 C ATOM 847 O ASN A 50 1.517 2.764 11.018 1.00 0.00 O ATOM 848 CB ASN A 50 2.209 5.588 12.517 1.00 0.00 C ATOM 849 CG ASN A 50 2.615 4.746 13.728 1.00 0.00 C ATOM 850 OD1 ASN A 50 1.788 4.095 14.335 1.00 0.00 O ATOM 851 ND2 ASN A 50 3.864 4.730 14.108 1.00 0.00 N ATOM 0 H ASN A 50 2.600 6.829 10.384 1.00 0.00 H new ATOM 0 HA ASN A 50 3.532 4.288 11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.677 6.571 12.571 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.131 5.748 12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.145 4.171 14.914 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.559 5.276 13.599 1.00 0.00 H new ATOM 858 N ALA A 51 0.543 4.490 10.065 1.00 0.00 N ATOM 859 CA ALA A 51 -0.577 3.643 9.569 1.00 0.00 C ATOM 860 C ALA A 51 -0.062 2.735 8.452 1.00 0.00 C ATOM 861 O ALA A 51 -0.455 1.592 8.336 1.00 0.00 O ATOM 862 CB ALA A 51 -1.694 4.537 9.027 1.00 0.00 C ATOM 0 H ALA A 51 0.483 5.478 9.820 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.967 3.036 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.513 3.916 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.057 5.188 9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.309 5.144 8.208 1.00 0.00 H new ATOM 868 N VAL A 52 0.821 3.235 7.630 1.00 0.00 N ATOM 869 CA VAL A 52 1.364 2.400 6.523 1.00 0.00 C ATOM 870 C VAL A 52 2.201 1.261 7.111 1.00 0.00 C ATOM 871 O VAL A 52 2.063 0.116 6.729 1.00 0.00 O ATOM 872 CB VAL A 52 2.244 3.264 5.615 1.00 0.00 C ATOM 873 CG1 VAL A 52 3.042 2.365 4.669 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.359 4.205 4.793 1.00 0.00 C ATOM 0 H VAL A 52 1.189 4.185 7.678 1.00 0.00 H new ATOM 0 HA VAL A 52 0.541 1.986 5.941 1.00 0.00 H new ATOM 0 HB VAL A 52 2.931 3.849 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.668 2.981 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.672 1.693 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.355 1.780 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.984 4.820 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.673 3.618 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.789 4.847 5.464 1.00 0.00 H new ATOM 884 N ARG A 53 3.071 1.566 8.036 1.00 0.00 N ATOM 885 CA ARG A 53 3.916 0.500 8.647 1.00 0.00 C ATOM 886 C ARG A 53 3.057 -0.376 9.558 1.00 0.00 C ATOM 887 O ARG A 53 3.322 -1.548 9.741 1.00 0.00 O ATOM 888 CB ARG A 53 5.033 1.148 9.470 1.00 0.00 C ATOM 889 CG ARG A 53 6.024 1.838 8.532 1.00 0.00 C ATOM 890 CD ARG A 53 7.060 2.602 9.357 1.00 0.00 C ATOM 891 NE ARG A 53 8.262 1.746 9.560 1.00 0.00 N ATOM 892 CZ ARG A 53 9.450 2.284 9.578 1.00 0.00 C ATOM 893 NH1 ARG A 53 9.915 2.800 10.682 1.00 0.00 N ATOM 894 NH2 ARG A 53 10.173 2.306 8.492 1.00 0.00 N ATOM 0 H ARG A 53 3.233 2.507 8.395 1.00 0.00 H new ATOM 0 HA ARG A 53 4.351 -0.115 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.612 1.872 10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.545 0.392 10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.519 1.099 7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.496 2.522 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.339 3.524 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.636 2.886 10.320 1.00 0.00 H new ATOM 0 HE ARG A 53 8.156 0.739 9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.350 2.783 11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.844 3.221 10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.809 1.902 7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.102 2.727 8.506 1.00 0.00 H new ATOM 908 N HIS A 54 2.030 0.184 10.137 1.00 0.00 N ATOM 909 CA HIS A 54 1.155 -0.614 11.042 1.00 0.00 C ATOM 910 C HIS A 54 0.327 -1.611 10.224 1.00 0.00 C ATOM 911 O HIS A 54 0.318 -2.795 10.496 1.00 0.00 O ATOM 912 CB HIS A 54 0.216 0.331 11.794 1.00 0.00 C ATOM 913 CG HIS A 54 -0.574 -0.449 12.808 1.00 0.00 C ATOM 914 ND1 HIS A 54 -0.003 -0.937 13.973 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.892 -0.830 12.848 1.00 0.00 C ATOM 916 CE1 HIS A 54 -0.967 -1.579 14.659 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.139 -1.543 14.018 1.00 0.00 N ATOM 0 H HIS A 54 1.759 1.161 10.022 1.00 0.00 H new ATOM 0 HA HIS A 54 1.774 -1.163 11.751 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.791 1.114 12.289 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.458 0.825 11.094 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.626 -0.610 12.087 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.812 -2.064 15.611 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.024 -1.950 14.321 1.00 0.00 H new ATOM 925 N ASN A 55 -0.378 -1.137 9.234 1.00 0.00 N ATOM 926 CA ASN A 55 -1.220 -2.050 8.404 1.00 0.00 C ATOM 927 C ASN A 55 -0.340 -3.043 7.633 1.00 0.00 C ATOM 928 O ASN A 55 -0.630 -4.221 7.558 1.00 0.00 O ATOM 929 CB ASN A 55 -2.022 -1.206 7.408 1.00 0.00 C ATOM 930 CG ASN A 55 -1.111 -0.746 6.266 1.00 0.00 C ATOM 931 OD1 ASN A 55 -0.260 0.100 6.458 1.00 0.00 O ATOM 932 ND2 ASN A 55 -1.253 -1.273 5.081 1.00 0.00 N ATOM 0 H ASN A 55 -0.409 -0.154 8.962 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.890 -2.612 9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.853 -1.788 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.452 -0.341 7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.649 -0.975 4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.968 -1.983 4.921 1.00 0.00 H new ATOM 939 N LEU A 56 0.714 -2.565 7.038 1.00 0.00 N ATOM 940 CA LEU A 56 1.611 -3.453 6.237 1.00 0.00 C ATOM 941 C LEU A 56 2.130 -4.635 7.071 1.00 0.00 C ATOM 942 O LEU A 56 2.139 -5.761 6.616 1.00 0.00 O ATOM 943 CB LEU A 56 2.800 -2.635 5.730 1.00 0.00 C ATOM 944 CG LEU A 56 3.384 -3.297 4.479 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.555 -2.899 3.258 1.00 0.00 C ATOM 946 CD2 LEU A 56 4.830 -2.835 4.286 1.00 0.00 C ATOM 0 H LEU A 56 0.999 -1.586 7.070 1.00 0.00 H new ATOM 0 HA LEU A 56 1.036 -3.855 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.483 -1.618 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.563 -2.564 6.506 1.00 0.00 H new ATOM 0 HG LEU A 56 3.361 -4.380 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.970 -3.370 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.525 -3.227 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.578 -1.816 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.247 -3.306 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.853 -1.752 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.422 -3.118 5.157 1.00 0.00 H new ATOM 958 N SER A 57 2.595 -4.392 8.267 1.00 0.00 N ATOM 959 CA SER A 57 3.146 -5.512 9.091 1.00 0.00 C ATOM 960 C SER A 57 2.032 -6.272 9.824 1.00 0.00 C ATOM 961 O SER A 57 2.169 -7.441 10.123 1.00 0.00 O ATOM 962 CB SER A 57 4.124 -4.943 10.118 1.00 0.00 C ATOM 963 OG SER A 57 4.829 -6.012 10.737 1.00 0.00 O ATOM 0 H SER A 57 2.618 -3.473 8.709 1.00 0.00 H new ATOM 0 HA SER A 57 3.652 -6.210 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.824 -4.263 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.586 -4.364 10.868 1.00 0.00 H new ATOM 0 HG SER A 57 5.459 -5.651 11.395 1.00 0.00 H new ATOM 969 N LEU A 58 0.947 -5.625 10.139 1.00 0.00 N ATOM 970 CA LEU A 58 -0.143 -6.330 10.876 1.00 0.00 C ATOM 971 C LEU A 58 -1.262 -6.752 9.919 1.00 0.00 C ATOM 972 O LEU A 58 -2.407 -6.869 10.312 1.00 0.00 O ATOM 973 CB LEU A 58 -0.721 -5.400 11.944 1.00 0.00 C ATOM 974 CG LEU A 58 -1.643 -6.199 12.866 1.00 0.00 C ATOM 975 CD1 LEU A 58 -0.945 -6.432 14.208 1.00 0.00 C ATOM 976 CD2 LEU A 58 -2.939 -5.416 13.096 1.00 0.00 C ATOM 0 H LEU A 58 0.765 -4.645 9.921 1.00 0.00 H new ATOM 0 HA LEU A 58 0.276 -7.222 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.084 -4.946 12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.274 -4.587 11.474 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.875 -7.159 12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.602 -7.001 14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.022 -6.989 14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.713 -5.472 14.669 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.596 -5.985 13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.707 -4.456 13.558 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.437 -5.248 12.141 1.00 0.00 H new ATOM 988 N HIS A 59 -0.955 -6.991 8.676 1.00 0.00 N ATOM 989 CA HIS A 59 -2.024 -7.413 7.725 1.00 0.00 C ATOM 990 C HIS A 59 -1.691 -8.796 7.159 1.00 0.00 C ATOM 991 O HIS A 59 -0.647 -9.004 6.575 1.00 0.00 O ATOM 992 CB HIS A 59 -2.129 -6.400 6.584 1.00 0.00 C ATOM 993 CG HIS A 59 -3.166 -5.359 6.918 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.261 -5.628 7.730 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.286 -4.042 6.555 1.00 0.00 C ATOM 996 CE1 HIS A 59 -4.982 -4.495 7.824 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.432 -3.498 7.128 1.00 0.00 N ATOM 0 H HIS A 59 -0.019 -6.914 8.278 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.977 -7.459 8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.163 -5.924 6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.396 -6.909 5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.595 -3.507 5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.895 -4.404 8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.777 -2.543 7.036 1.00 0.00 H new ATOM 1005 N LYS A 60 -2.572 -9.744 7.336 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.309 -11.117 6.817 1.00 0.00 C ATOM 1007 C LYS A 60 -2.568 -11.163 5.310 1.00 0.00 C ATOM 1008 O LYS A 60 -1.988 -11.960 4.598 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.230 -12.113 7.524 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.969 -13.522 6.986 1.00 0.00 C ATOM 1011 CD LYS A 60 -1.831 -14.171 7.777 1.00 0.00 C ATOM 1012 CE LYS A 60 -1.295 -15.377 7.003 1.00 0.00 C ATOM 1013 NZ LYS A 60 -0.114 -14.963 6.194 1.00 0.00 N ATOM 0 H LYS A 60 -3.463 -9.626 7.818 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.269 -11.380 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.056 -12.085 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.272 -11.838 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.873 -14.126 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.710 -13.476 5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.032 -13.449 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.188 -14.484 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.015 -16.171 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.072 -15.780 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.251 -15.782 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.396 -14.219 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.628 -14.598 6.825 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.432 -10.321 4.811 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.713 -10.336 3.348 1.00 0.00 C ATOM 1029 C TYR A 61 -2.510 -9.762 2.596 1.00 0.00 C ATOM 1030 O TYR A 61 -2.423 -9.846 1.386 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.964 -9.507 3.047 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.683 -8.043 3.275 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.908 -7.329 2.355 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.205 -7.397 4.402 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.654 -5.968 2.562 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -4.953 -6.036 4.608 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.178 -5.321 3.689 1.00 0.00 C ATOM 1038 OH TYR A 61 -3.932 -3.980 3.893 1.00 0.00 O ATOM 0 H TYR A 61 -3.952 -9.628 5.349 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.887 -11.362 3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.277 -9.669 2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.787 -9.831 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.506 -7.828 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.802 -7.949 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.054 -5.417 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.357 -5.538 5.477 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.563 -3.587 3.075 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.570 -9.200 3.305 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.359 -8.644 2.639 1.00 0.00 C ATOM 1050 C PHE A 62 0.722 -9.728 2.634 1.00 0.00 C ATOM 1051 O PHE A 62 1.093 -10.244 3.669 1.00 0.00 O ATOM 1052 CB PHE A 62 0.139 -7.424 3.418 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.354 -6.161 2.750 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.123 -5.956 1.385 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.039 -5.194 3.496 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.576 -4.785 0.765 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.492 -4.023 2.876 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.261 -3.819 1.511 1.00 0.00 C ATOM 0 H PHE A 62 -1.589 -9.102 4.320 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.593 -8.340 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.218 -7.466 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.228 -7.425 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.405 -6.702 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.218 -5.351 4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.397 -4.627 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.020 -3.277 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.611 -2.916 1.033 1.00 0.00 H new ATOM 1068 N VAL A 63 1.223 -10.094 1.485 1.00 0.00 N ATOM 1069 CA VAL A 63 2.262 -11.161 1.448 1.00 0.00 C ATOM 1070 C VAL A 63 3.554 -10.616 0.840 1.00 0.00 C ATOM 1071 O VAL A 63 3.563 -9.603 0.171 1.00 0.00 O ATOM 1072 CB VAL A 63 1.756 -12.332 0.604 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.763 -13.482 0.669 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.408 -12.807 1.149 1.00 0.00 C ATOM 0 H VAL A 63 0.961 -9.705 0.579 1.00 0.00 H new ATOM 0 HA VAL A 63 2.463 -11.499 2.465 1.00 0.00 H new ATOM 0 HB VAL A 63 1.639 -12.009 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.402 -14.316 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.725 -13.146 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.880 -13.805 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.046 -13.642 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.527 -13.129 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.311 -11.989 1.104 1.00 0.00 H new ATOM 1084 N ARG A 64 4.647 -11.291 1.070 1.00 0.00 N ATOM 1085 CA ARG A 64 5.946 -10.828 0.510 1.00 0.00 C ATOM 1086 C ARG A 64 6.630 -12.000 -0.198 1.00 0.00 C ATOM 1087 O ARG A 64 6.551 -13.132 0.239 1.00 0.00 O ATOM 1088 CB ARG A 64 6.841 -10.322 1.643 1.00 0.00 C ATOM 1089 CG ARG A 64 7.075 -11.449 2.652 1.00 0.00 C ATOM 1090 CD ARG A 64 8.577 -11.627 2.881 1.00 0.00 C ATOM 1091 NE ARG A 64 8.985 -10.895 4.115 1.00 0.00 N ATOM 1092 CZ ARG A 64 10.206 -11.005 4.567 1.00 0.00 C ATOM 1093 NH1 ARG A 64 11.188 -10.416 3.942 1.00 0.00 N ATOM 1094 NH2 ARG A 64 10.443 -11.705 5.643 1.00 0.00 N ATOM 0 H ARG A 64 4.695 -12.146 1.624 1.00 0.00 H new ATOM 0 HA ARG A 64 5.773 -10.019 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.793 -9.976 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.374 -9.469 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.578 -11.217 3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.640 -12.378 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.817 -12.686 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.133 -11.251 2.022 1.00 0.00 H new ATOM 0 HE ARG A 64 8.311 -10.308 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.002 -9.870 3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.141 -10.502 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.675 -12.166 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.396 -11.791 5.996 1.00 0.00 H new ATOM 1108 N VAL A 65 7.297 -11.742 -1.288 1.00 0.00 N ATOM 1109 CA VAL A 65 7.978 -12.839 -2.018 1.00 0.00 C ATOM 1110 C VAL A 65 9.436 -12.461 -2.286 1.00 0.00 C ATOM 1111 O VAL A 65 9.723 -11.541 -3.027 1.00 0.00 O ATOM 1112 CB VAL A 65 7.259 -13.090 -3.345 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.909 -14.273 -4.063 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.787 -13.405 -3.073 1.00 0.00 C ATOM 0 H VAL A 65 7.398 -10.816 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 65 7.952 -13.745 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 65 7.332 -12.201 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.396 -14.451 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.958 -14.050 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.836 -15.163 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.273 -13.584 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.715 -14.294 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.323 -12.562 -2.561 1.00 0.00 H new ATOM 1124 N GLU A 66 10.361 -13.165 -1.692 1.00 0.00 N ATOM 1125 CA GLU A 66 11.797 -12.849 -1.914 1.00 0.00 C ATOM 1126 C GLU A 66 12.146 -13.055 -3.390 1.00 0.00 C ATOM 1127 O GLU A 66 12.460 -14.148 -3.816 1.00 0.00 O ATOM 1128 CB GLU A 66 12.661 -13.773 -1.054 1.00 0.00 C ATOM 1129 CG GLU A 66 14.134 -13.585 -1.420 1.00 0.00 C ATOM 1130 CD GLU A 66 14.974 -13.520 -0.143 1.00 0.00 C ATOM 1131 OE1 GLU A 66 14.449 -13.078 0.866 1.00 0.00 O ATOM 1132 OE2 GLU A 66 16.128 -13.913 -0.197 1.00 0.00 O ATOM 0 H GLU A 66 10.182 -13.947 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 66 11.986 -11.811 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.507 -13.552 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.367 -14.811 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.471 -14.409 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.262 -12.670 -1.999 1.00 0.00 H new ATOM 1139 N ASN A 67 12.089 -12.014 -4.177 1.00 0.00 N ATOM 1140 CA ASN A 67 12.413 -12.151 -5.619 1.00 0.00 C ATOM 1141 C ASN A 67 13.855 -11.705 -5.867 1.00 0.00 C ATOM 1142 O ASN A 67 14.471 -11.073 -5.030 1.00 0.00 O ATOM 1143 CB ASN A 67 11.460 -11.281 -6.441 1.00 0.00 C ATOM 1144 CG ASN A 67 11.596 -11.635 -7.922 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.207 -12.627 -8.268 1.00 0.00 O ATOM 1146 ND2 ASN A 67 11.049 -10.862 -8.818 1.00 0.00 N ATOM 0 H ASN A 67 11.831 -11.073 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 67 12.302 -13.194 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.433 -11.437 -6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.688 -10.226 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.134 -11.090 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.536 -10.029 -8.528 1.00 0.00 H new ATOM 1153 N VAL A 68 14.398 -12.023 -7.010 1.00 0.00 N ATOM 1154 CA VAL A 68 15.797 -11.613 -7.308 1.00 0.00 C ATOM 1155 C VAL A 68 15.927 -10.097 -7.137 1.00 0.00 C ATOM 1156 O VAL A 68 16.899 -9.604 -6.600 1.00 0.00 O ATOM 1157 CB VAL A 68 16.148 -11.994 -8.748 1.00 0.00 C ATOM 1158 CG1 VAL A 68 17.665 -11.936 -8.933 1.00 0.00 C ATOM 1159 CG2 VAL A 68 15.654 -13.413 -9.036 1.00 0.00 C ATOM 0 H VAL A 68 13.932 -12.549 -7.750 1.00 0.00 H new ATOM 0 HA VAL A 68 16.478 -12.119 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 68 15.669 -11.297 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.917 -12.207 -9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.018 -10.925 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.142 -12.634 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.904 -13.684 -10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.132 -14.111 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.573 -13.456 -8.903 1.00 0.00 H new ATOM 1169 N LYS A 69 14.955 -9.355 -7.592 1.00 0.00 N ATOM 1170 CA LYS A 69 15.022 -7.875 -7.457 1.00 0.00 C ATOM 1171 C LYS A 69 14.904 -7.491 -5.981 1.00 0.00 C ATOM 1172 O LYS A 69 15.083 -6.347 -5.611 1.00 0.00 O ATOM 1173 CB LYS A 69 13.875 -7.238 -8.244 1.00 0.00 C ATOM 1174 CG LYS A 69 14.345 -5.913 -8.848 1.00 0.00 C ATOM 1175 CD LYS A 69 15.478 -6.178 -9.842 1.00 0.00 C ATOM 1176 CE LYS A 69 16.660 -5.261 -9.525 1.00 0.00 C ATOM 1177 NZ LYS A 69 16.429 -3.922 -10.136 1.00 0.00 N ATOM 0 H LYS A 69 14.117 -9.711 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 69 15.974 -7.517 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.543 -7.912 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.020 -7.069 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.515 -5.416 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.688 -5.243 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.788 -7.221 -9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.131 -6.003 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.779 -5.164 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.583 -5.694 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.233 -3.299 -9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.336 -4.022 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.557 -3.509 -9.748 1.00 0.00 H new ATOM 1191 N GLY A 70 14.604 -8.438 -5.135 1.00 0.00 N ATOM 1192 CA GLY A 70 14.475 -8.133 -3.689 1.00 0.00 C ATOM 1193 C GLY A 70 13.095 -8.571 -3.194 1.00 0.00 C ATOM 1194 O GLY A 70 12.282 -9.066 -3.949 1.00 0.00 O ATOM 0 H GLY A 70 14.443 -9.413 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.254 -8.648 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.612 -7.065 -3.518 1.00 0.00 H new ATOM 1198 N ALA A 71 12.827 -8.396 -1.929 1.00 0.00 N ATOM 1199 CA ALA A 71 11.504 -8.803 -1.384 1.00 0.00 C ATOM 1200 C ALA A 71 10.402 -7.943 -2.007 1.00 0.00 C ATOM 1201 O ALA A 71 10.577 -6.762 -2.235 1.00 0.00 O ATOM 1202 CB ALA A 71 11.502 -8.613 0.136 1.00 0.00 C ATOM 0 H ALA A 71 13.469 -7.988 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 71 11.321 -9.851 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.534 -8.910 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.284 -9.228 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.687 -7.565 0.372 1.00 0.00 H new ATOM 1208 N VAL A 72 9.265 -8.523 -2.284 1.00 0.00 N ATOM 1209 CA VAL A 72 8.153 -7.736 -2.887 1.00 0.00 C ATOM 1210 C VAL A 72 6.983 -7.673 -1.905 1.00 0.00 C ATOM 1211 O VAL A 72 6.906 -8.441 -0.967 1.00 0.00 O ATOM 1212 CB VAL A 72 7.687 -8.407 -4.183 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.850 -8.472 -5.173 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.199 -9.824 -3.875 1.00 0.00 C ATOM 0 H VAL A 72 9.059 -9.508 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 72 8.505 -6.728 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 72 6.873 -7.828 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.517 -8.950 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.198 -7.463 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.666 -9.050 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.867 -10.303 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.013 -10.402 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.369 -9.778 -3.171 1.00 0.00 H new ATOM 1224 N TRP A 73 6.065 -6.773 -2.122 1.00 0.00 N ATOM 1225 CA TRP A 73 4.893 -6.667 -1.213 1.00 0.00 C ATOM 1226 C TRP A 73 3.619 -6.875 -2.031 1.00 0.00 C ATOM 1227 O TRP A 73 3.376 -6.175 -2.993 1.00 0.00 O ATOM 1228 CB TRP A 73 4.860 -5.285 -0.553 1.00 0.00 C ATOM 1229 CG TRP A 73 5.875 -5.231 0.544 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.961 -4.426 0.557 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.916 -5.994 1.782 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.668 -4.649 1.725 1.00 0.00 N ATOM 1233 CE2 TRP A 73 7.064 -5.608 2.513 1.00 0.00 C ATOM 1234 CE3 TRP A 73 5.076 -6.977 2.337 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 7.368 -6.177 3.751 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 5.380 -7.552 3.582 1.00 0.00 C ATOM 1237 CH2 TRP A 73 6.523 -7.152 4.287 1.00 0.00 C ATOM 0 H TRP A 73 6.077 -6.105 -2.893 1.00 0.00 H new ATOM 0 HA TRP A 73 4.966 -7.425 -0.433 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.067 -4.512 -1.293 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.866 -5.085 -0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.232 -3.724 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.530 -4.164 1.974 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.192 -7.291 1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.250 -5.866 4.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.729 -8.307 3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 73 6.751 -7.597 5.244 1.00 0.00 H new ATOM 1248 N THR A 74 2.808 -7.838 -1.680 1.00 0.00 N ATOM 1249 CA THR A 74 1.579 -8.078 -2.472 1.00 0.00 C ATOM 1250 C THR A 74 0.354 -8.203 -1.568 1.00 0.00 C ATOM 1251 O THR A 74 0.457 -8.429 -0.379 1.00 0.00 O ATOM 1252 CB THR A 74 1.741 -9.370 -3.275 1.00 0.00 C ATOM 1253 OG1 THR A 74 0.464 -9.954 -3.492 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.630 -10.352 -2.508 1.00 0.00 C ATOM 0 H THR A 74 2.947 -8.461 -0.885 1.00 0.00 H new ATOM 0 HA THR A 74 1.431 -7.229 -3.140 1.00 0.00 H new ATOM 0 HB THR A 74 2.206 -9.142 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.044 -9.405 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.741 -11.270 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.611 -9.905 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.172 -10.582 -1.546 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.810 -8.068 -2.144 1.00 0.00 N ATOM 1263 CA VAL A 75 -2.065 -8.187 -1.352 1.00 0.00 C ATOM 1264 C VAL A 75 -2.912 -9.319 -1.936 1.00 0.00 C ATOM 1265 O VAL A 75 -3.339 -9.264 -3.072 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.849 -6.876 -1.424 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.203 -6.571 -2.881 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -4.139 -7.007 -0.609 1.00 0.00 C ATOM 0 H VAL A 75 -0.945 -7.879 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.823 -8.401 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.240 -6.068 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.762 -5.637 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.288 -6.479 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.812 -7.380 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.698 -6.073 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.746 -7.816 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.892 -7.226 0.430 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.153 -10.347 -1.173 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.967 -11.483 -1.688 1.00 0.00 C ATOM 1280 C ASP A 76 -5.413 -11.025 -1.881 1.00 0.00 C ATOM 1281 O ASP A 76 -6.107 -10.718 -0.933 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.928 -12.634 -0.681 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.515 -13.215 -0.619 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.821 -13.141 -1.618 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.152 -13.727 0.428 1.00 0.00 O ATOM 0 H ASP A 76 -2.821 -10.450 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.561 -11.820 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.229 -12.279 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.638 -13.408 -0.971 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.875 -10.977 -3.100 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.278 -10.538 -3.342 1.00 0.00 C ATOM 1292 C GLU A 77 -8.229 -11.405 -2.518 1.00 0.00 C ATOM 1293 O GLU A 77 -9.143 -10.912 -1.887 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.613 -10.679 -4.828 1.00 0.00 C ATOM 1295 CG GLU A 77 -9.029 -10.160 -5.081 1.00 0.00 C ATOM 1296 CD GLU A 77 -9.017 -9.198 -6.271 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -9.021 -9.675 -7.393 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -9.003 -8.001 -6.039 1.00 0.00 O ATOM 0 H GLU A 77 -5.344 -11.222 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.388 -9.494 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.896 -10.119 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.537 -11.723 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.703 -10.993 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.405 -9.652 -4.193 1.00 0.00 H new ATOM 1305 N VAL A 78 -8.020 -12.692 -2.510 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.909 -13.580 -1.717 1.00 0.00 C ATOM 1307 C VAL A 78 -8.865 -13.133 -0.261 1.00 0.00 C ATOM 1308 O VAL A 78 -9.872 -12.820 0.341 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.414 -15.022 -1.818 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -9.528 -15.973 -1.381 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -8.019 -15.326 -3.264 1.00 0.00 C ATOM 0 H VAL A 78 -7.273 -13.165 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.929 -13.523 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.547 -15.156 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.177 -17.002 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.808 -15.756 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.395 -15.840 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.666 -16.355 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.884 -15.193 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.225 -14.647 -3.575 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.693 -13.096 0.304 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.558 -12.665 1.720 1.00 0.00 C ATOM 1323 C GLU A 79 -8.006 -11.207 1.854 1.00 0.00 C ATOM 1324 O GLU A 79 -8.809 -10.870 2.701 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.096 -12.792 2.153 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.030 -13.105 3.648 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.076 -14.619 3.856 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -7.169 -15.152 3.952 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -5.016 -15.220 3.917 1.00 0.00 O ATOM 0 H GLU A 79 -6.818 -13.347 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.181 -13.296 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.605 -13.581 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.561 -11.866 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.114 -12.696 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.863 -12.631 4.167 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.489 -10.338 1.027 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.882 -8.904 1.111 1.00 0.00 C ATOM 1338 C PHE A 80 -9.394 -8.774 0.922 1.00 0.00 C ATOM 1339 O PHE A 80 -10.002 -7.812 1.351 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.159 -8.114 0.018 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.592 -6.669 0.076 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.838 -6.291 -0.438 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.748 -5.708 0.643 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.239 -4.951 -0.383 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.148 -4.369 0.697 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.394 -3.989 0.185 1.00 0.00 C ATOM 0 H PHE A 80 -6.812 -10.560 0.297 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.606 -8.509 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.080 -8.188 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.387 -8.535 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.489 -7.033 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.787 -6.000 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.200 -4.659 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.495 -3.628 1.134 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.704 -2.955 0.228 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.007 -9.733 0.285 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.480 -9.663 0.071 1.00 0.00 C ATOM 1358 C GLN A 81 -12.195 -10.414 1.196 1.00 0.00 C ATOM 1359 O GLN A 81 -13.349 -10.169 1.484 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.829 -10.305 -1.273 1.00 0.00 C ATOM 1361 CG GLN A 81 -11.438 -9.357 -2.409 1.00 0.00 C ATOM 1362 CD GLN A 81 -12.646 -8.505 -2.800 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.775 -8.935 -2.675 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.456 -7.302 -3.272 1.00 0.00 N ATOM 0 H GLN A 81 -9.552 -10.562 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.799 -8.621 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.305 -11.255 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.896 -10.523 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.614 -8.716 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.088 -9.928 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.509 -6.939 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.255 -6.725 -3.535 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.518 -11.330 1.831 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.157 -12.101 2.933 1.00 0.00 C ATOM 1375 C LYS A 82 -12.693 -11.139 3.997 1.00 0.00 C ATOM 1376 O LYS A 82 -13.887 -11.000 4.176 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.122 -13.036 3.564 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.710 -13.677 4.822 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.903 -14.926 5.184 1.00 0.00 C ATOM 1380 CE LYS A 82 -11.626 -15.697 6.289 1.00 0.00 C ATOM 1381 NZ LYS A 82 -10.727 -16.758 6.827 1.00 0.00 N ATOM 0 H LYS A 82 -10.548 -11.578 1.634 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.984 -12.687 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.832 -13.808 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.219 -12.479 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.690 -12.966 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.754 -13.942 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.779 -15.559 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.904 -14.643 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.922 -15.017 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.539 -16.144 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.219 -17.282 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.466 -17.413 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.868 -16.320 7.216 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.822 -10.478 4.712 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.283 -9.533 5.769 1.00 0.00 C ATOM 1397 C ARG A 83 -13.161 -8.445 5.147 1.00 0.00 C ATOM 1398 O ARG A 83 -14.130 -8.007 5.733 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.072 -8.884 6.442 1.00 0.00 C ATOM 1400 CG ARG A 83 -11.398 -8.603 7.910 1.00 0.00 C ATOM 1401 CD ARG A 83 -10.798 -9.703 8.787 1.00 0.00 C ATOM 1402 NE ARG A 83 -9.311 -9.621 8.738 1.00 0.00 N ATOM 1403 CZ ARG A 83 -8.611 -9.796 9.825 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -8.740 -8.969 10.826 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -7.782 -10.799 9.913 1.00 0.00 N ATOM 0 H ARG A 83 -10.810 -10.552 4.609 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.862 -10.084 6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.206 -9.542 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.812 -7.957 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.999 -7.632 8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.478 -8.559 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.145 -9.594 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.131 -10.681 8.440 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.840 -9.428 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.389 -8.185 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.192 -9.107 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.681 -11.447 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.235 -10.935 10.763 1.00 0.00 H new ATOM 1419 N ARG A 84 -12.830 -8.002 3.965 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.648 -6.941 3.316 1.00 0.00 C ATOM 1421 C ARG A 84 -15.118 -7.375 3.295 1.00 0.00 C ATOM 1422 O ARG A 84 -15.415 -8.533 3.080 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.158 -6.722 1.883 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.195 -5.533 1.845 1.00 0.00 C ATOM 1425 CD ARG A 84 -12.765 -4.441 0.938 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.227 -3.115 1.358 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.035 -2.104 1.514 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -13.525 -1.493 0.470 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -13.354 -1.701 2.713 1.00 0.00 N ATOM 0 H ARG A 84 -12.030 -8.328 3.422 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.551 -6.011 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.658 -7.619 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.005 -6.538 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.044 -5.142 2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.220 -5.853 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.500 -4.641 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.854 -4.438 0.994 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.227 -2.999 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.276 -1.807 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.157 -0.702 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.971 -2.177 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.986 -0.910 2.834 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.996 -6.431 3.524 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.447 -6.686 3.543 1.00 0.00 C ATOM 1445 C PRO A 85 -17.991 -6.798 2.115 1.00 0.00 C ATOM 1446 O PRO A 85 -18.651 -5.907 1.621 1.00 0.00 O ATOM 1447 CB PRO A 85 -18.019 -5.456 4.251 1.00 0.00 C ATOM 1448 CG PRO A 85 -16.968 -4.332 4.092 1.00 0.00 C ATOM 1449 CD PRO A 85 -15.627 -5.023 3.784 1.00 0.00 C ATOM 0 HA PRO A 85 -17.711 -7.619 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.972 -5.162 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.206 -5.666 5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.247 -3.652 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.897 -3.737 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.137 -4.574 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.935 -4.941 4.622 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.719 -7.888 1.450 1.00 0.00 N ATOM 1458 CA GLN A 86 -18.223 -8.056 0.058 1.00 0.00 C ATOM 1459 C GLN A 86 -19.715 -7.716 0.012 1.00 0.00 C ATOM 1460 O GLN A 86 -20.531 -8.384 0.615 1.00 0.00 O ATOM 1461 CB GLN A 86 -18.014 -9.505 -0.388 1.00 0.00 C ATOM 1462 CG GLN A 86 -18.851 -10.433 0.492 1.00 0.00 C ATOM 1463 CD GLN A 86 -20.026 -10.983 -0.319 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -21.138 -11.042 0.163 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -19.822 -11.391 -1.542 1.00 0.00 N ATOM 0 H GLN A 86 -17.170 -8.668 1.810 1.00 0.00 H new ATOM 0 HA GLN A 86 -17.678 -7.389 -0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -18.301 -9.620 -1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -16.959 -9.771 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -18.236 -11.253 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -19.219 -9.891 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -18.887 -11.341 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -20.597 -11.759 -2.093 1.00 0.00 H new ATOM 1474 N LYS A 87 -20.076 -6.681 -0.695 1.00 0.00 N ATOM 1475 CA LYS A 87 -21.514 -6.298 -0.777 1.00 0.00 C ATOM 1476 C LYS A 87 -22.030 -5.956 0.622 1.00 0.00 C ATOM 1477 O LYS A 87 -23.195 -5.616 0.737 1.00 0.00 O ATOM 1478 CB LYS A 87 -22.323 -7.463 -1.348 1.00 0.00 C ATOM 1479 CG LYS A 87 -21.844 -7.769 -2.768 1.00 0.00 C ATOM 1480 CD LYS A 87 -22.830 -8.722 -3.448 1.00 0.00 C ATOM 1481 CE LYS A 87 -23.885 -7.911 -4.202 1.00 0.00 C ATOM 1482 NZ LYS A 87 -23.308 -7.421 -5.486 1.00 0.00 N ATOM 1483 OXT LYS A 87 -21.249 -6.039 1.556 1.00 0.00 O ATOM 0 H LYS A 87 -19.437 -6.084 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 87 -21.621 -5.430 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -22.208 -8.344 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -23.384 -7.213 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -21.761 -6.846 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -20.851 -8.217 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -22.300 -9.380 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -23.309 -9.359 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -24.763 -8.527 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -24.215 -7.069 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -24.074 -7.095 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -22.658 -6.632 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -22.789 -8.193 -5.950 1.00 0.00 H new TER 1497 LYS A 87