USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1108 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 89 THR OG1 : rot -70:sc= 0.0144 USER MOD Set 1.2: A 97 CYS SG : rot 106:sc= 0.0121 USER MOD Set 2.1: A 79 SER OG : rot -166:sc= -0.548 USER MOD Set 2.2: A 85 HIS : no HD1:sc= -16.1! C(o=-17!,f=-23!) USER MOD Set 3.1: A 69 SER OG : rot -108:sc= 0.445 USER MOD Set 3.2: A 73 GLN : amide:sc= -8.55! C(o=-9.9!,f=-11!) USER MOD Set 3.3: A 120 ASN : amide:sc= -1.78 K(o=-9.9,f=-18!) USER MOD Set 4.1: A 24 ASN : amide:sc= -1.84! C(o=-6.6!,f=-6.7!) USER MOD Set 4.2: A 27 SER OG : rot 169:sc= -4.78! USER MOD Set 5.1: A 18 THR OG1 : rot 140:sc= -2.94! USER MOD Set 5.2: A 29 LYS NZ :NH3+ -108:sc= -11.4! (180deg=-13.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00825 (180deg=-0.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0121) USER MOD Single : A 6 THR OG1 : rot 12:sc= 1.36 USER MOD Single : A 8 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 96:sc= 0.17 USER MOD Single : A 15 SER OG : rot 170:sc= -0.702 USER MOD Single : A 19 ASN : amide:sc= -4.66! C(o=-4.7!,f=-4.2!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.257 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -7.58! C(o=-7.6!,f=-6!) USER MOD Single : A 30 CYS SG : rot 70:sc= -7.05! USER MOD Single : A 32 GLN : amide:sc= -2.31 K(o=-2.3,f=-4.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -137:sc= -1.6 USER MOD Single : A 40 HIS : no HD1:sc= -1.96! X(o=-2!,f=-1.7) USER MOD Single : A 48 ASN : amide:sc= -5.3! C(o=-5.3!,f=-6.5!) USER MOD Single : A 52 THR OG1 : rot -147:sc= 0.905 USER MOD Single : A 55 GLN : amide:sc= -0.331 K(o=-0.33,f=-2) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -140:sc= -15.7! (180deg=-20.9!) USER MOD Single : A 61 THR OG1 : rot -103:sc= -0.286 USER MOD Single : A 62 SER OG : rot 6:sc= 0.0055 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.533 USER MOD Single : A 65 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.18) USER MOD Single : A 71 GLN : amide:sc= -7.67! C(o=-7.7!,f=-18!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= 0.298 (180deg=-0.0469) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -171:sc= -24.3! (180deg=-25.9!) USER MOD Single : A 95 GLN : amide:sc= -3.76 K(o=-3.8,f=-8.3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -5.47! C(o=-5.5!,f=-12!) USER MOD Single : A 104 ASN : amide:sc= -0.549! C(o=-0.55!,f=-5.3!) USER MOD Single : A 106 LYS NZ :NH3+ -128:sc= -1.12! (180deg=-1.88!) USER MOD Single : A 115 ASN : amide:sc= -4.59! C(o=-4.6!,f=-11!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 179:sc= -0.788 (180deg=-0.839) USER MOD Single : A 128 TYR OH : rot 22:sc= -6.74! USER MOD Single : A 131 GLN : amide:sc= -11.6! C(o=-12!,f=-17!) USER MOD Single : A 133 LYS NZ :NH3+ 146:sc= -0.782! (180deg=-3.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.418 -12.051 9.535 1.00 0.00 N ATOM 2 CA MET A 1 25.195 -11.713 10.715 1.00 0.00 C ATOM 3 C MET A 1 24.776 -10.353 11.277 1.00 0.00 C ATOM 4 O MET A 1 24.699 -10.177 12.492 1.00 0.00 O ATOM 5 CB MET A 1 26.682 -11.681 10.356 1.00 0.00 C ATOM 6 CG MET A 1 27.550 -11.643 11.615 1.00 0.00 C ATOM 7 SD MET A 1 28.531 -13.130 11.725 1.00 0.00 S ATOM 8 CE MET A 1 29.717 -12.628 12.961 1.00 0.00 C ATOM 0 H1 MET A 1 24.545 -13.059 9.313 1.00 0.00 H new ATOM 0 H2 MET A 1 23.412 -11.860 9.716 1.00 0.00 H new ATOM 0 H3 MET A 1 24.740 -11.476 8.731 1.00 0.00 H new ATOM 0 HA MET A 1 25.012 -12.471 11.476 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.935 -12.559 9.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.892 -10.807 9.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.201 -10.769 11.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.919 -11.547 12.499 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.412 -13.446 13.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.269 -11.759 12.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.195 -12.373 13.883 1.00 0.00 H new ATOM 18 N SER A 2 24.515 -9.427 10.366 1.00 0.00 N ATOM 19 CA SER A 2 24.105 -8.089 10.756 1.00 0.00 C ATOM 20 C SER A 2 23.045 -7.563 9.786 1.00 0.00 C ATOM 21 O SER A 2 23.329 -6.698 8.960 1.00 0.00 O ATOM 22 CB SER A 2 25.303 -7.137 10.800 1.00 0.00 C ATOM 23 OG SER A 2 24.953 -5.863 11.334 1.00 0.00 O ATOM 0 H SER A 2 24.580 -9.577 9.359 1.00 0.00 H new ATOM 0 HA SER A 2 23.678 -8.140 11.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.095 -7.579 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.703 -7.011 9.794 1.00 0.00 H new ATOM 0 HG SER A 2 25.744 -5.285 11.347 1.00 0.00 H new ATOM 29 N PHE A 3 21.845 -8.108 9.920 1.00 0.00 N ATOM 30 CA PHE A 3 20.741 -7.705 9.066 1.00 0.00 C ATOM 31 C PHE A 3 20.775 -6.198 8.800 1.00 0.00 C ATOM 32 O PHE A 3 20.621 -5.398 9.722 1.00 0.00 O ATOM 33 CB PHE A 3 19.450 -8.051 9.810 1.00 0.00 C ATOM 34 CG PHE A 3 19.580 -8.007 11.334 1.00 0.00 C ATOM 35 CD1 PHE A 3 19.442 -6.826 11.995 1.00 0.00 C ATOM 36 CD2 PHE A 3 19.833 -9.149 12.028 1.00 0.00 C ATOM 37 CE1 PHE A 3 19.562 -6.785 13.409 1.00 0.00 C ATOM 38 CE2 PHE A 3 19.953 -9.108 13.442 1.00 0.00 C ATOM 39 CZ PHE A 3 19.816 -7.927 14.103 1.00 0.00 C ATOM 0 H PHE A 3 21.613 -8.825 10.607 1.00 0.00 H new ATOM 0 HA PHE A 3 20.807 -8.218 8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.668 -7.357 9.502 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.127 -9.048 9.512 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.241 -5.919 11.444 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.943 -10.087 11.504 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.452 -5.847 13.934 1.00 0.00 H new ATOM 0 HE2 PHE A 3 20.153 -10.015 13.993 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.909 -7.896 15.179 1.00 0.00 H new ATOM 49 N TRP A 4 20.977 -5.857 7.536 1.00 0.00 N ATOM 50 CA TRP A 4 21.033 -4.461 7.138 1.00 0.00 C ATOM 51 C TRP A 4 19.601 -3.925 7.090 1.00 0.00 C ATOM 52 O TRP A 4 19.362 -2.756 7.389 1.00 0.00 O ATOM 53 CB TRP A 4 21.777 -4.298 5.811 1.00 0.00 C ATOM 54 CG TRP A 4 23.246 -3.901 5.965 1.00 0.00 C ATOM 55 CD1 TRP A 4 23.745 -2.768 6.478 1.00 0.00 C ATOM 56 CD2 TRP A 4 24.394 -4.686 5.580 1.00 0.00 C ATOM 57 NE1 TRP A 4 25.125 -2.765 6.452 1.00 0.00 N ATOM 58 CE2 TRP A 4 25.532 -3.969 5.888 1.00 0.00 C ATOM 59 CE3 TRP A 4 24.469 -5.960 4.990 1.00 0.00 C ATOM 60 CZ2 TRP A 4 26.827 -4.443 5.644 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.770 -6.420 4.753 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.925 -5.710 5.057 1.00 0.00 C ATOM 0 H TRP A 4 21.104 -6.523 6.774 1.00 0.00 H new ATOM 0 HA TRP A 4 21.600 -3.876 7.863 1.00 0.00 H new ATOM 0 HB2 TRP A 4 21.721 -5.235 5.258 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.268 -3.543 5.212 1.00 0.00 H new ATOM 0 HD1 TRP A 4 23.143 -1.959 6.863 1.00 0.00 H new ATOM 0 HE1 TRP A 4 25.734 -2.018 6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.592 -6.538 4.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 27.702 -3.863 5.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.884 -7.395 4.302 1.00 0.00 H new ATOM 0 HH2 TRP A 4 27.895 -6.134 4.841 1.00 0.00 H new ATOM 73 N LYS A 5 18.686 -4.805 6.712 1.00 0.00 N ATOM 74 CA LYS A 5 17.284 -4.435 6.622 1.00 0.00 C ATOM 75 C LYS A 5 16.713 -4.267 8.032 1.00 0.00 C ATOM 76 O LYS A 5 15.746 -3.533 8.230 1.00 0.00 O ATOM 77 CB LYS A 5 16.518 -5.445 5.765 1.00 0.00 C ATOM 78 CG LYS A 5 17.276 -5.754 4.472 1.00 0.00 C ATOM 79 CD LYS A 5 17.622 -4.468 3.719 1.00 0.00 C ATOM 80 CE LYS A 5 19.085 -4.079 3.943 1.00 0.00 C ATOM 81 NZ LYS A 5 19.730 -3.726 2.658 1.00 0.00 N ATOM 0 H LYS A 5 18.888 -5.774 6.464 1.00 0.00 H new ATOM 0 HA LYS A 5 17.175 -3.475 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.365 -6.365 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.531 -5.050 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.190 -6.301 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.670 -6.400 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.437 -4.605 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.972 -3.660 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.142 -3.234 4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.620 -4.906 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.677 -3.336 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.814 -4.577 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.153 -3.016 2.163 1.00 0.00 H new ATOM 95 N THR A 6 17.336 -4.958 8.974 1.00 0.00 N ATOM 96 CA THR A 6 16.903 -4.894 10.359 1.00 0.00 C ATOM 97 C THR A 6 15.381 -5.029 10.449 1.00 0.00 C ATOM 98 O THR A 6 14.654 -4.065 10.212 1.00 0.00 O ATOM 99 CB THR A 6 17.434 -3.592 10.962 1.00 0.00 C ATOM 100 OG1 THR A 6 16.701 -2.573 10.287 1.00 0.00 O ATOM 101 CG2 THR A 6 18.890 -3.320 10.577 1.00 0.00 C ATOM 0 H THR A 6 18.138 -5.566 8.805 1.00 0.00 H new ATOM 0 HA THR A 6 17.307 -5.725 10.938 1.00 0.00 H new ATOM 0 HB THR A 6 17.347 -3.632 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.953 -2.977 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.218 -2.385 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 6 19.519 -4.136 10.933 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.972 -3.246 9.493 1.00 0.00 H new ATOM 109 N LEU A 7 14.945 -6.232 10.791 1.00 0.00 N ATOM 110 CA LEU A 7 13.523 -6.505 10.915 1.00 0.00 C ATOM 111 C LEU A 7 13.316 -7.997 11.184 1.00 0.00 C ATOM 112 O LEU A 7 13.311 -8.804 10.256 1.00 0.00 O ATOM 113 CB LEU A 7 12.770 -5.991 9.686 1.00 0.00 C ATOM 114 CG LEU A 7 11.555 -5.105 9.966 1.00 0.00 C ATOM 115 CD1 LEU A 7 10.270 -5.934 10.015 1.00 0.00 C ATOM 116 CD2 LEU A 7 11.757 -4.285 11.242 1.00 0.00 C ATOM 0 H LEU A 7 15.551 -7.029 10.986 1.00 0.00 H new ATOM 0 HA LEU A 7 13.104 -5.967 11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.468 -5.430 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.441 -6.850 9.100 1.00 0.00 H new ATOM 0 HG LEU A 7 11.451 -4.399 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.422 -5.279 10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.123 -6.435 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.348 -6.679 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.879 -3.664 11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.901 -4.957 12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.635 -3.649 11.130 1.00 0.00 H new ATOM 128 N GLN A 8 13.150 -8.318 12.459 1.00 0.00 N ATOM 129 CA GLN A 8 12.943 -9.699 12.861 1.00 0.00 C ATOM 130 C GLN A 8 11.908 -10.367 11.955 1.00 0.00 C ATOM 131 O GLN A 8 11.186 -9.688 11.226 1.00 0.00 O ATOM 132 CB GLN A 8 12.523 -9.784 14.330 1.00 0.00 C ATOM 133 CG GLN A 8 13.210 -10.959 15.029 1.00 0.00 C ATOM 134 CD GLN A 8 12.204 -11.779 15.840 1.00 0.00 C ATOM 135 OE1 GLN A 8 11.019 -11.490 15.882 1.00 0.00 O ATOM 136 NE2 GLN A 8 12.740 -12.814 16.480 1.00 0.00 N ATOM 0 H GLN A 8 13.155 -7.646 13.226 1.00 0.00 H new ATOM 0 HA GLN A 8 13.887 -10.233 12.755 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.777 -8.854 14.839 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.441 -9.899 14.397 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.691 -11.597 14.288 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.995 -10.587 15.687 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.740 -13.000 16.402 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.151 -13.422 17.049 1.00 0.00 H new ATOM 145 N ARG A 9 11.868 -11.689 12.030 1.00 0.00 N ATOM 146 CA ARG A 9 10.933 -12.456 11.225 1.00 0.00 C ATOM 147 C ARG A 9 10.681 -11.753 9.889 1.00 0.00 C ATOM 148 O ARG A 9 9.737 -10.975 9.762 1.00 0.00 O ATOM 149 CB ARG A 9 9.601 -12.642 11.955 1.00 0.00 C ATOM 150 CG ARG A 9 9.656 -13.847 12.897 1.00 0.00 C ATOM 151 CD ARG A 9 9.098 -13.490 14.276 1.00 0.00 C ATOM 152 NE ARG A 9 7.741 -14.059 14.436 1.00 0.00 N ATOM 153 CZ ARG A 9 7.471 -15.372 14.423 1.00 0.00 C ATOM 154 NH1 ARG A 9 8.462 -16.258 14.257 1.00 0.00 N ATOM 155 NH2 ARG A 9 6.210 -15.797 14.576 1.00 0.00 N ATOM 0 H ARG A 9 12.468 -12.249 12.636 1.00 0.00 H new ATOM 0 HA ARG A 9 11.376 -13.436 11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.365 -11.742 12.523 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.800 -12.780 11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.084 -14.672 12.472 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.686 -14.190 12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.757 -13.875 15.055 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.063 -12.407 14.394 1.00 0.00 H new ATOM 0 HE ARG A 9 6.963 -13.412 14.564 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.422 -15.934 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.257 -17.257 14.247 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.456 -15.122 14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.004 -16.796 14.566 1.00 0.00 H new ATOM 169 N GLN A 10 11.541 -12.053 8.927 1.00 0.00 N ATOM 170 CA GLN A 10 11.423 -11.460 7.606 1.00 0.00 C ATOM 171 C GLN A 10 10.345 -12.181 6.795 1.00 0.00 C ATOM 172 O GLN A 10 10.293 -13.409 6.778 1.00 0.00 O ATOM 173 CB GLN A 10 12.766 -11.481 6.874 1.00 0.00 C ATOM 174 CG GLN A 10 13.133 -12.902 6.442 1.00 0.00 C ATOM 175 CD GLN A 10 14.597 -13.211 6.760 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.963 -13.526 7.880 1.00 0.00 O ATOM 177 NE2 GLN A 10 15.412 -13.105 5.714 1.00 0.00 N ATOM 0 H GLN A 10 12.323 -12.699 9.036 1.00 0.00 H new ATOM 0 HA GLN A 10 11.126 -10.418 7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.718 -10.832 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.545 -11.082 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.488 -13.618 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.957 -13.018 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.040 -12.837 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.409 -13.292 5.823 1.00 0.00 H new ATOM 186 N PRO A 11 9.489 -11.364 6.123 1.00 0.00 N ATOM 187 CA PRO A 11 8.415 -11.911 5.311 1.00 0.00 C ATOM 188 C PRO A 11 8.956 -12.481 3.999 1.00 0.00 C ATOM 189 O PRO A 11 10.147 -12.766 3.885 1.00 0.00 O ATOM 190 CB PRO A 11 7.451 -10.755 5.104 1.00 0.00 C ATOM 191 CG PRO A 11 8.241 -9.493 5.410 1.00 0.00 C ATOM 192 CD PRO A 11 9.521 -9.905 6.119 1.00 0.00 C ATOM 0 HA PRO A 11 7.911 -12.751 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.072 -10.740 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.587 -10.844 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.470 -8.954 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.657 -8.820 6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.401 -9.530 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.558 -9.507 7.133 1.00 0.00 H new ATOM 200 N ARG A 12 8.054 -12.631 3.040 1.00 0.00 N ATOM 201 CA ARG A 12 8.426 -13.162 1.739 1.00 0.00 C ATOM 202 C ARG A 12 7.617 -12.477 0.635 1.00 0.00 C ATOM 203 O ARG A 12 8.186 -11.928 -0.307 1.00 0.00 O ATOM 204 CB ARG A 12 8.190 -14.672 1.673 1.00 0.00 C ATOM 205 CG ARG A 12 9.135 -15.331 0.665 1.00 0.00 C ATOM 206 CD ARG A 12 9.099 -16.855 0.795 1.00 0.00 C ATOM 207 NE ARG A 12 10.449 -17.415 0.564 1.00 0.00 N ATOM 208 CZ ARG A 12 10.930 -17.743 -0.643 1.00 0.00 C ATOM 209 NH1 ARG A 12 10.173 -17.570 -1.735 1.00 0.00 N ATOM 210 NH2 ARG A 12 12.167 -18.245 -0.757 1.00 0.00 N ATOM 0 H ARG A 12 7.067 -12.394 3.138 1.00 0.00 H new ATOM 0 HA ARG A 12 9.488 -12.965 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.341 -15.111 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.156 -14.870 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.852 -15.042 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.152 -14.973 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.745 -17.135 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.395 -17.273 0.075 1.00 0.00 H new ATOM 0 HE ARG A 12 11.051 -17.560 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.231 -17.189 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.539 -17.820 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.742 -18.377 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.533 -18.495 -1.676 1.00 0.00 H new ATOM 224 N THR A 13 6.302 -12.533 0.789 1.00 0.00 N ATOM 225 CA THR A 13 5.409 -11.926 -0.183 1.00 0.00 C ATOM 226 C THR A 13 5.037 -10.506 0.248 1.00 0.00 C ATOM 227 O THR A 13 4.347 -10.318 1.249 1.00 0.00 O ATOM 228 CB THR A 13 4.198 -12.846 -0.353 1.00 0.00 C ATOM 229 OG1 THR A 13 4.741 -14.032 -0.925 1.00 0.00 O ATOM 230 CG2 THR A 13 3.219 -12.335 -1.412 1.00 0.00 C ATOM 0 H THR A 13 5.834 -12.989 1.572 1.00 0.00 H new ATOM 0 HA THR A 13 5.894 -11.821 -1.153 1.00 0.00 H new ATOM 0 HB THR A 13 3.681 -12.946 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.916 -14.686 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.378 -13.024 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.854 -11.349 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.727 -12.267 -2.374 1.00 0.00 H new ATOM 238 N ILE A 14 5.512 -9.542 -0.528 1.00 0.00 N ATOM 239 CA ILE A 14 5.238 -8.145 -0.238 1.00 0.00 C ATOM 240 C ILE A 14 4.116 -7.649 -1.153 1.00 0.00 C ATOM 241 O ILE A 14 4.296 -7.551 -2.366 1.00 0.00 O ATOM 242 CB ILE A 14 6.521 -7.317 -0.334 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.739 -8.142 0.085 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.399 -6.022 0.473 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.539 -8.746 1.477 1.00 0.00 C ATOM 0 H ILE A 14 6.085 -9.701 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 14 4.887 -8.030 0.788 1.00 0.00 H new ATOM 0 HB ILE A 14 6.668 -7.034 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.910 -8.938 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.628 -7.512 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.324 -5.452 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.570 -5.429 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.215 -6.262 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.419 -9.328 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.392 -7.946 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.663 -9.395 1.470 1.00 0.00 H new ATOM 257 N SER A 15 2.982 -7.350 -0.536 1.00 0.00 N ATOM 258 CA SER A 15 1.831 -6.867 -1.280 1.00 0.00 C ATOM 259 C SER A 15 1.751 -5.342 -1.188 1.00 0.00 C ATOM 260 O SER A 15 1.291 -4.801 -0.184 1.00 0.00 O ATOM 261 CB SER A 15 0.536 -7.499 -0.762 1.00 0.00 C ATOM 262 OG SER A 15 -0.620 -6.849 -1.282 1.00 0.00 O ATOM 0 H SER A 15 2.836 -7.433 0.470 1.00 0.00 H new ATOM 0 HA SER A 15 1.952 -7.156 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.513 -8.554 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.520 -7.452 0.327 1.00 0.00 H new ATOM 0 HG SER A 15 -1.418 -7.374 -1.061 1.00 0.00 H new ATOM 268 N LEU A 16 2.205 -4.693 -2.249 1.00 0.00 N ATOM 269 CA LEU A 16 2.191 -3.241 -2.301 1.00 0.00 C ATOM 270 C LEU A 16 1.045 -2.778 -3.203 1.00 0.00 C ATOM 271 O LEU A 16 0.854 -3.313 -4.294 1.00 0.00 O ATOM 272 CB LEU A 16 3.561 -2.706 -2.724 1.00 0.00 C ATOM 273 CG LEU A 16 4.342 -1.942 -1.653 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.722 -0.568 -1.397 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.461 -2.766 -0.369 1.00 0.00 C ATOM 0 H LEU A 16 2.585 -5.146 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 16 2.005 -2.827 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.169 -3.546 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.423 -2.049 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 16 5.353 -1.774 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.297 -0.046 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.733 0.014 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.693 -0.690 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.020 -2.200 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.465 -2.987 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.982 -3.699 -0.583 1.00 0.00 H new ATOM 287 N PHE A 17 0.312 -1.789 -2.714 1.00 0.00 N ATOM 288 CA PHE A 17 -0.810 -1.248 -3.462 1.00 0.00 C ATOM 289 C PHE A 17 -0.453 0.102 -4.088 1.00 0.00 C ATOM 290 O PHE A 17 0.418 0.811 -3.587 1.00 0.00 O ATOM 291 CB PHE A 17 -1.956 -1.049 -2.468 1.00 0.00 C ATOM 292 CG PHE A 17 -2.665 -2.344 -2.068 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.227 -3.135 -3.022 1.00 0.00 C ATOM 294 CD2 PHE A 17 -2.733 -2.706 -0.759 1.00 0.00 C ATOM 295 CE1 PHE A 17 -3.884 -4.337 -2.650 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.391 -3.908 -0.387 1.00 0.00 C ATOM 297 CZ PHE A 17 -3.953 -4.698 -1.341 1.00 0.00 C ATOM 0 H PHE A 17 0.473 -1.348 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.083 -1.930 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.566 -0.569 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.686 -0.367 -2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.173 -2.848 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.286 -2.079 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.329 -4.965 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.445 -4.195 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.454 -5.612 -1.059 1.00 0.00 H new ATOM 307 N THR A 18 -1.144 0.416 -5.173 1.00 0.00 N ATOM 308 CA THR A 18 -0.911 1.669 -5.872 1.00 0.00 C ATOM 309 C THR A 18 -1.936 2.719 -5.441 1.00 0.00 C ATOM 310 O THR A 18 -3.099 2.396 -5.204 1.00 0.00 O ATOM 311 CB THR A 18 -0.929 1.382 -7.375 1.00 0.00 C ATOM 312 OG1 THR A 18 0.377 0.883 -7.650 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.025 2.658 -8.214 1.00 0.00 C ATOM 0 H THR A 18 -1.866 -0.175 -5.586 1.00 0.00 H new ATOM 0 HA THR A 18 0.063 2.089 -5.618 1.00 0.00 H new ATOM 0 HB THR A 18 -1.770 0.730 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.316 0.140 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.034 2.398 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.943 3.190 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.167 3.296 -8.005 1.00 0.00 H new ATOM 321 N ASN A 19 -1.467 3.955 -5.352 1.00 0.00 N ATOM 322 CA ASN A 19 -2.329 5.056 -4.954 1.00 0.00 C ATOM 323 C ASN A 19 -1.851 6.342 -5.629 1.00 0.00 C ATOM 324 O ASN A 19 -1.861 7.410 -5.018 1.00 0.00 O ATOM 325 CB ASN A 19 -2.282 5.271 -3.440 1.00 0.00 C ATOM 326 CG ASN A 19 -3.550 4.735 -2.771 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.046 3.667 -3.088 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.044 5.535 -1.830 1.00 0.00 N ATOM 0 H ASN A 19 -0.501 4.219 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.348 4.812 -5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.408 4.770 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.173 6.334 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.888 5.267 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.578 6.416 -1.614 1.00 0.00 H new ATOM 335 N ASP A 20 -1.443 6.199 -6.882 1.00 0.00 N ATOM 336 CA ASP A 20 -0.962 7.337 -7.647 1.00 0.00 C ATOM 337 C ASP A 20 0.165 8.026 -6.875 1.00 0.00 C ATOM 338 O ASP A 20 0.230 7.933 -5.650 1.00 0.00 O ATOM 339 CB ASP A 20 -2.077 8.361 -7.871 1.00 0.00 C ATOM 340 CG ASP A 20 -1.692 9.556 -8.746 1.00 0.00 C ATOM 341 OD1 ASP A 20 -0.740 10.264 -8.353 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.357 9.733 -9.789 1.00 0.00 O ATOM 0 H ASP A 20 -1.436 5.312 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.610 6.970 -8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.928 7.855 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.409 8.732 -6.901 1.00 0.00 H new ATOM 347 N ILE A 21 1.024 8.702 -7.623 1.00 0.00 N ATOM 348 CA ILE A 21 2.145 9.406 -7.024 1.00 0.00 C ATOM 349 C ILE A 21 2.697 10.423 -8.026 1.00 0.00 C ATOM 350 O ILE A 21 3.029 11.547 -7.655 1.00 0.00 O ATOM 351 CB ILE A 21 3.192 8.413 -6.516 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.784 6.974 -6.838 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.458 8.613 -5.022 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.600 6.780 -8.344 1.00 0.00 C ATOM 0 H ILE A 21 0.966 8.777 -8.639 1.00 0.00 H new ATOM 0 HA ILE A 21 1.819 9.966 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 21 4.129 8.607 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.544 6.286 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.856 6.731 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.206 7.895 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.824 9.625 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.534 8.462 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.310 5.749 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.822 7.453 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.537 7.000 -8.856 1.00 0.00 H new ATOM 366 N ALA A 22 2.779 9.990 -9.275 1.00 0.00 N ATOM 367 CA ALA A 22 3.285 10.848 -10.333 1.00 0.00 C ATOM 368 C ALA A 22 3.097 10.152 -11.682 1.00 0.00 C ATOM 369 O ALA A 22 2.023 9.626 -11.969 1.00 0.00 O ATOM 370 CB ALA A 22 4.750 11.193 -10.054 1.00 0.00 C ATOM 0 H ALA A 22 2.504 9.056 -9.578 1.00 0.00 H new ATOM 0 HA ALA A 22 2.730 11.785 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.130 11.837 -10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.826 11.712 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.339 10.277 -10.017 1.00 0.00 H new ATOM 376 N SER A 23 4.159 10.172 -12.475 1.00 0.00 N ATOM 377 CA SER A 23 4.124 9.549 -13.788 1.00 0.00 C ATOM 378 C SER A 23 3.282 8.272 -13.739 1.00 0.00 C ATOM 379 O SER A 23 2.074 8.312 -13.965 1.00 0.00 O ATOM 380 CB SER A 23 5.536 9.235 -14.286 1.00 0.00 C ATOM 381 OG SER A 23 5.531 8.264 -15.328 1.00 0.00 O ATOM 0 H SER A 23 5.048 10.609 -12.234 1.00 0.00 H new ATOM 0 HA SER A 23 3.669 10.250 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.005 10.151 -14.646 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.141 8.872 -13.455 1.00 0.00 H new ATOM 0 HG SER A 23 6.451 8.092 -15.620 1.00 0.00 H new ATOM 387 N ASN A 24 3.954 7.169 -13.443 1.00 0.00 N ATOM 388 CA ASN A 24 3.283 5.883 -13.362 1.00 0.00 C ATOM 389 C ASN A 24 2.621 5.744 -11.989 1.00 0.00 C ATOM 390 O ASN A 24 3.290 5.443 -11.002 1.00 0.00 O ATOM 391 CB ASN A 24 4.277 4.732 -13.527 1.00 0.00 C ATOM 392 CG ASN A 24 3.999 3.947 -14.810 1.00 0.00 C ATOM 393 OD1 ASN A 24 2.892 3.505 -15.071 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.062 3.799 -15.595 1.00 0.00 N ATOM 0 H ASN A 24 4.956 7.140 -13.256 1.00 0.00 H new ATOM 0 HA ASN A 24 2.543 5.837 -14.161 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.293 5.125 -13.550 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.213 4.065 -12.667 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.979 3.290 -16.475 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.960 4.194 -15.317 1.00 0.00 H new ATOM 401 N ILE A 25 1.316 5.969 -11.972 1.00 0.00 N ATOM 402 CA ILE A 25 0.557 5.872 -10.736 1.00 0.00 C ATOM 403 C ILE A 25 0.983 4.613 -9.978 1.00 0.00 C ATOM 404 O ILE A 25 1.219 4.661 -8.772 1.00 0.00 O ATOM 405 CB ILE A 25 -0.945 5.937 -11.024 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.360 7.345 -11.455 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.755 5.443 -9.824 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.276 8.367 -11.106 1.00 0.00 C ATOM 0 H ILE A 25 0.765 6.218 -12.793 1.00 0.00 H new ATOM 0 HA ILE A 25 0.772 6.722 -10.089 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.163 5.268 -11.857 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.547 7.360 -12.529 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.294 7.619 -10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.819 5.500 -10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.486 4.410 -9.604 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.538 6.067 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.596 9.360 -11.423 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.109 8.366 -10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.650 8.104 -11.617 1.00 0.00 H new ATOM 420 N LYS A 26 1.070 3.517 -10.716 1.00 0.00 N ATOM 421 CA LYS A 26 1.464 2.248 -10.129 1.00 0.00 C ATOM 422 C LYS A 26 2.983 2.225 -9.946 1.00 0.00 C ATOM 423 O LYS A 26 3.476 2.147 -8.822 1.00 0.00 O ATOM 424 CB LYS A 26 0.927 1.082 -10.961 1.00 0.00 C ATOM 425 CG LYS A 26 -0.552 1.283 -11.297 1.00 0.00 C ATOM 426 CD LYS A 26 -0.901 0.643 -12.642 1.00 0.00 C ATOM 427 CE LYS A 26 -1.062 1.707 -13.730 1.00 0.00 C ATOM 428 NZ LYS A 26 -2.327 1.503 -14.471 1.00 0.00 N ATOM 0 H LYS A 26 0.874 3.481 -11.716 1.00 0.00 H new ATOM 0 HA LYS A 26 1.022 2.133 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.504 0.992 -11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.055 0.149 -10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.169 0.847 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.780 2.348 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.118 -0.060 -12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.824 0.071 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.053 2.700 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.219 1.662 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.421 2.233 -15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.321 0.563 -14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.129 1.569 -13.813 1.00 0.00 H new ATOM 442 N SER A 27 3.683 2.295 -11.069 1.00 0.00 N ATOM 443 CA SER A 27 5.136 2.283 -11.048 1.00 0.00 C ATOM 444 C SER A 27 5.652 3.303 -10.031 1.00 0.00 C ATOM 445 O SER A 27 6.229 2.930 -9.010 1.00 0.00 O ATOM 446 CB SER A 27 5.710 2.579 -12.435 1.00 0.00 C ATOM 447 OG SER A 27 6.385 3.833 -12.476 1.00 0.00 O ATOM 0 H SER A 27 3.271 2.360 -12.000 1.00 0.00 H new ATOM 0 HA SER A 27 5.466 1.287 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.402 1.785 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.904 2.577 -13.169 1.00 0.00 H new ATOM 0 HG SER A 27 6.885 3.908 -13.315 1.00 0.00 H new ATOM 453 N GLN A 28 5.426 4.570 -10.344 1.00 0.00 N ATOM 454 CA GLN A 28 5.861 5.647 -9.471 1.00 0.00 C ATOM 455 C GLN A 28 5.618 5.273 -8.007 1.00 0.00 C ATOM 456 O GLN A 28 6.376 5.677 -7.126 1.00 0.00 O ATOM 457 CB GLN A 28 5.159 6.959 -9.826 1.00 0.00 C ATOM 458 CG GLN A 28 5.360 8.003 -8.726 1.00 0.00 C ATOM 459 CD GLN A 28 6.776 8.582 -8.772 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.471 8.671 -7.773 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.163 8.969 -9.984 1.00 0.00 N ATOM 0 H GLN A 28 4.947 4.875 -11.191 1.00 0.00 H new ATOM 0 HA GLN A 28 6.931 5.796 -9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.549 7.340 -10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.094 6.778 -9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.631 8.805 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.180 7.549 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.531 8.866 -10.778 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.092 9.368 -10.119 1.00 0.00 H new ATOM 470 N LYS A 29 4.559 4.507 -7.793 1.00 0.00 N ATOM 471 CA LYS A 29 4.207 4.074 -6.451 1.00 0.00 C ATOM 472 C LYS A 29 5.401 3.351 -5.823 1.00 0.00 C ATOM 473 O LYS A 29 6.151 3.942 -5.048 1.00 0.00 O ATOM 474 CB LYS A 29 2.926 3.238 -6.476 1.00 0.00 C ATOM 475 CG LYS A 29 2.472 2.887 -5.058 1.00 0.00 C ATOM 476 CD LYS A 29 2.998 1.513 -4.638 1.00 0.00 C ATOM 477 CE LYS A 29 2.226 0.394 -5.339 1.00 0.00 C ATOM 478 NZ LYS A 29 2.957 -0.067 -6.541 1.00 0.00 N ATOM 0 H LYS A 29 3.933 4.175 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 29 3.986 4.934 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.138 3.790 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.096 2.323 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.828 3.645 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.383 2.894 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.058 1.436 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.909 1.400 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.080 -0.440 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.236 0.750 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.460 0.257 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.921 0.324 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.005 -1.106 -6.541 1.00 0.00 H new ATOM 492 N CYS A 30 5.540 2.084 -6.183 1.00 0.00 N ATOM 493 CA CYS A 30 6.629 1.274 -5.664 1.00 0.00 C ATOM 494 C CYS A 30 7.797 1.352 -6.650 1.00 0.00 C ATOM 495 O CYS A 30 8.919 1.675 -6.264 1.00 0.00 O ATOM 496 CB CYS A 30 6.191 -0.170 -5.412 1.00 0.00 C ATOM 497 SG CYS A 30 7.176 -0.895 -4.051 1.00 0.00 S ATOM 0 H CYS A 30 4.917 1.598 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 30 6.945 1.662 -4.696 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.131 -0.198 -5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.319 -0.761 -6.319 1.00 0.00 H new ATOM 0 HG CYS A 30 6.841 -0.335 -2.927 1.00 0.00 H new ATOM 503 N LEU A 31 7.492 1.050 -7.904 1.00 0.00 N ATOM 504 CA LEU A 31 8.502 1.082 -8.948 1.00 0.00 C ATOM 505 C LEU A 31 9.516 2.186 -8.637 1.00 0.00 C ATOM 506 O LEU A 31 10.709 2.025 -8.887 1.00 0.00 O ATOM 507 CB LEU A 31 7.847 1.219 -10.323 1.00 0.00 C ATOM 508 CG LEU A 31 7.265 -0.064 -10.920 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.374 -0.972 -11.455 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.374 -0.785 -9.906 1.00 0.00 C ATOM 0 H LEU A 31 6.560 0.782 -8.220 1.00 0.00 H new ATOM 0 HA LEU A 31 9.052 0.141 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.048 1.957 -10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.587 1.616 -11.018 1.00 0.00 H new ATOM 0 HG LEU A 31 6.635 0.208 -11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.933 -1.877 -11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.931 -0.447 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.049 -1.240 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.973 -1.694 -10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.961 -1.044 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.552 -0.131 -9.614 1.00 0.00 H new ATOM 522 N GLN A 32 9.003 3.281 -8.096 1.00 0.00 N ATOM 523 CA GLN A 32 9.849 4.410 -7.749 1.00 0.00 C ATOM 524 C GLN A 32 10.510 4.180 -6.389 1.00 0.00 C ATOM 525 O GLN A 32 11.696 4.457 -6.216 1.00 0.00 O ATOM 526 CB GLN A 32 9.050 5.716 -7.756 1.00 0.00 C ATOM 527 CG GLN A 32 9.079 6.368 -9.140 1.00 0.00 C ATOM 528 CD GLN A 32 10.448 6.989 -9.425 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.090 6.708 -10.424 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.858 7.846 -8.494 1.00 0.00 N ATOM 0 H GLN A 32 8.013 3.410 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 32 10.632 4.497 -8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.019 5.517 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.463 6.403 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.848 5.623 -9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.308 7.136 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.271 8.036 -7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.759 8.313 -8.592 1.00 0.00 H new ATOM 539 N LEU A 33 9.714 3.675 -5.458 1.00 0.00 N ATOM 540 CA LEU A 33 10.207 3.404 -4.118 1.00 0.00 C ATOM 541 C LEU A 33 11.377 2.420 -4.199 1.00 0.00 C ATOM 542 O LEU A 33 12.406 2.621 -3.557 1.00 0.00 O ATOM 543 CB LEU A 33 9.068 2.931 -3.213 1.00 0.00 C ATOM 544 CG LEU A 33 9.316 3.046 -1.707 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.431 2.068 -0.930 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.799 2.861 -1.380 1.00 0.00 C ATOM 0 H LEU A 33 8.731 3.446 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 33 10.588 4.317 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.174 3.504 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.853 1.888 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 33 9.040 4.052 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.627 2.170 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.382 2.289 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.653 1.048 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.948 2.947 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.125 1.876 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.382 3.628 -1.890 1.00 0.00 H new ATOM 558 N LEU A 34 11.179 1.379 -4.994 1.00 0.00 N ATOM 559 CA LEU A 34 12.204 0.364 -5.167 1.00 0.00 C ATOM 560 C LEU A 34 13.311 0.913 -6.069 1.00 0.00 C ATOM 561 O LEU A 34 14.423 0.386 -6.084 1.00 0.00 O ATOM 562 CB LEU A 34 11.586 -0.940 -5.676 1.00 0.00 C ATOM 563 CG LEU A 34 10.097 -1.135 -5.384 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.265 -0.994 -6.660 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.846 -2.472 -4.682 1.00 0.00 C ATOM 0 H LEU A 34 10.324 1.216 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 34 12.664 0.119 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.734 -0.992 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.134 -1.774 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 34 9.777 -0.347 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.210 -1.137 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.411 0.001 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.580 -1.745 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.780 -2.585 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.186 -3.288 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.393 -2.496 -3.739 1.00 0.00 H new ATOM 577 N LYS A 35 12.969 1.964 -6.799 1.00 0.00 N ATOM 578 CA LYS A 35 13.921 2.590 -7.702 1.00 0.00 C ATOM 579 C LYS A 35 15.161 3.014 -6.914 1.00 0.00 C ATOM 580 O LYS A 35 16.185 3.362 -7.500 1.00 0.00 O ATOM 581 CB LYS A 35 13.258 3.736 -8.469 1.00 0.00 C ATOM 582 CG LYS A 35 14.076 4.113 -9.706 1.00 0.00 C ATOM 583 CD LYS A 35 13.243 4.950 -10.679 1.00 0.00 C ATOM 584 CE LYS A 35 13.872 4.956 -12.074 1.00 0.00 C ATOM 585 NZ LYS A 35 12.921 5.498 -13.069 1.00 0.00 N ATOM 0 H LYS A 35 12.046 2.398 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 35 14.252 1.880 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.252 3.443 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.156 4.604 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.961 4.673 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.425 3.209 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.231 4.550 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.162 5.972 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.781 5.557 -12.067 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.161 3.943 -12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.364 5.495 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.064 4.909 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.665 6.472 -12.810 1.00 0.00 H new ATOM 599 N GLY A 36 15.029 2.971 -5.596 1.00 0.00 N ATOM 600 CA GLY A 36 16.127 3.347 -4.721 1.00 0.00 C ATOM 601 C GLY A 36 17.205 2.261 -4.697 1.00 0.00 C ATOM 602 O GLY A 36 18.109 2.259 -5.531 1.00 0.00 O ATOM 0 H GLY A 36 14.179 2.682 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.561 4.288 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.752 3.514 -3.711 1.00 0.00 H new ATOM 606 N ASP A 37 17.073 1.363 -3.731 1.00 0.00 N ATOM 607 CA ASP A 37 18.024 0.274 -3.586 1.00 0.00 C ATOM 608 C ASP A 37 17.708 -0.813 -4.616 1.00 0.00 C ATOM 609 O ASP A 37 16.927 -0.590 -5.539 1.00 0.00 O ATOM 610 CB ASP A 37 17.935 -0.353 -2.194 1.00 0.00 C ATOM 611 CG ASP A 37 18.060 0.633 -1.031 1.00 0.00 C ATOM 612 OD1 ASP A 37 19.192 1.119 -0.818 1.00 0.00 O ATOM 613 OD2 ASP A 37 17.021 0.879 -0.381 1.00 0.00 O ATOM 0 H ASP A 37 16.322 1.368 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 37 19.025 0.678 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.982 -0.875 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.719 -1.104 -2.100 1.00 0.00 H new ATOM 618 N VAL A 38 18.332 -1.965 -4.422 1.00 0.00 N ATOM 619 CA VAL A 38 18.127 -3.088 -5.322 1.00 0.00 C ATOM 620 C VAL A 38 18.669 -4.362 -4.672 1.00 0.00 C ATOM 621 O VAL A 38 19.588 -4.306 -3.857 1.00 0.00 O ATOM 622 CB VAL A 38 18.766 -2.792 -6.681 1.00 0.00 C ATOM 623 CG1 VAL A 38 19.255 -4.079 -7.348 1.00 0.00 C ATOM 624 CG2 VAL A 38 17.795 -2.037 -7.590 1.00 0.00 C ATOM 0 H VAL A 38 18.980 -2.146 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 38 17.064 -3.243 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 38 19.632 -2.152 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 38 19.705 -3.841 -8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 38 19.997 -4.560 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 38 18.412 -4.754 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.274 -1.839 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.901 -2.640 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.517 -1.093 -7.121 1.00 0.00 H new ATOM 634 N SER A 39 18.075 -5.483 -5.057 1.00 0.00 N ATOM 635 CA SER A 39 18.486 -6.769 -4.521 1.00 0.00 C ATOM 636 C SER A 39 17.489 -7.853 -4.940 1.00 0.00 C ATOM 637 O SER A 39 16.798 -7.709 -5.947 1.00 0.00 O ATOM 638 CB SER A 39 18.605 -6.719 -2.997 1.00 0.00 C ATOM 639 OG SER A 39 19.872 -7.190 -2.545 1.00 0.00 O ATOM 0 H SER A 39 17.313 -5.527 -5.733 1.00 0.00 H new ATOM 0 HA SER A 39 19.468 -7.010 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.456 -5.695 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.814 -7.322 -2.552 1.00 0.00 H new ATOM 0 HG SER A 39 19.746 -7.768 -1.763 1.00 0.00 H new ATOM 645 N HIS A 40 17.448 -8.913 -4.146 1.00 0.00 N ATOM 646 CA HIS A 40 16.548 -10.019 -4.422 1.00 0.00 C ATOM 647 C HIS A 40 15.634 -10.250 -3.217 1.00 0.00 C ATOM 648 O HIS A 40 14.772 -9.423 -2.920 1.00 0.00 O ATOM 649 CB HIS A 40 17.333 -11.272 -4.818 1.00 0.00 C ATOM 650 CG HIS A 40 18.541 -11.540 -3.952 1.00 0.00 C ATOM 651 ND1 HIS A 40 19.681 -10.756 -3.993 1.00 0.00 N ATOM 652 CD2 HIS A 40 18.773 -12.510 -3.023 1.00 0.00 C ATOM 653 CE1 HIS A 40 20.554 -11.244 -3.124 1.00 0.00 C ATOM 654 NE2 HIS A 40 19.990 -12.331 -2.524 1.00 0.00 N ATOM 0 H HIS A 40 18.023 -9.029 -3.312 1.00 0.00 H new ATOM 0 HA HIS A 40 15.914 -9.773 -5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 40 16.668 -12.134 -4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.656 -11.173 -5.854 1.00 0.00 H new ATOM 0 HD2 HIS A 40 18.083 -13.292 -2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 40 21.540 -10.850 -2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 40 20.431 -12.911 -1.810 1.00 0.00 H new ATOM 662 N ARG A 41 15.852 -11.376 -2.555 1.00 0.00 N ATOM 663 CA ARG A 41 15.059 -11.726 -1.389 1.00 0.00 C ATOM 664 C ARG A 41 13.677 -12.225 -1.818 1.00 0.00 C ATOM 665 O ARG A 41 13.368 -13.406 -1.673 1.00 0.00 O ATOM 666 CB ARG A 41 14.893 -10.525 -0.456 1.00 0.00 C ATOM 667 CG ARG A 41 16.205 -9.751 -0.319 1.00 0.00 C ATOM 668 CD ARG A 41 16.983 -10.204 0.918 1.00 0.00 C ATOM 669 NE ARG A 41 17.868 -11.338 0.572 1.00 0.00 N ATOM 670 CZ ARG A 41 18.523 -12.083 1.474 1.00 0.00 C ATOM 671 NH1 ARG A 41 18.395 -11.817 2.781 1.00 0.00 N ATOM 672 NH2 ARG A 41 19.305 -13.093 1.068 1.00 0.00 N ATOM 0 H ARG A 41 16.567 -12.059 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 41 15.585 -12.517 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.116 -9.865 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.563 -10.866 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.814 -9.900 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.996 -8.683 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.575 -9.376 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.290 -10.500 1.705 1.00 0.00 H new ATOM 0 HE ARG A 41 17.987 -11.567 -0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.800 -11.048 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.893 -12.383 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.402 -13.295 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.803 -13.660 1.754 1.00 0.00 H new ATOM 686 N PHE A 42 12.884 -11.299 -2.338 1.00 0.00 N ATOM 687 CA PHE A 42 11.543 -11.631 -2.788 1.00 0.00 C ATOM 688 C PHE A 42 11.061 -10.641 -3.851 1.00 0.00 C ATOM 689 O PHE A 42 11.754 -9.673 -4.162 1.00 0.00 O ATOM 690 CB PHE A 42 10.625 -11.537 -1.568 1.00 0.00 C ATOM 691 CG PHE A 42 11.359 -11.242 -0.258 1.00 0.00 C ATOM 692 CD1 PHE A 42 11.907 -10.015 -0.047 1.00 0.00 C ATOM 693 CD2 PHE A 42 11.464 -12.207 0.695 1.00 0.00 C ATOM 694 CE1 PHE A 42 12.589 -9.742 1.169 1.00 0.00 C ATOM 695 CE2 PHE A 42 12.145 -11.933 1.910 1.00 0.00 C ATOM 696 CZ PHE A 42 12.693 -10.706 2.122 1.00 0.00 C ATOM 0 H PHE A 42 13.144 -10.320 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 42 11.535 -12.628 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.885 -10.756 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.079 -12.475 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.824 -9.249 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.029 -13.181 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.025 -8.768 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.228 -12.699 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.210 -10.498 3.047 1.00 0.00 H new ATOM 706 N ASP A 43 9.878 -10.918 -4.379 1.00 0.00 N ATOM 707 CA ASP A 43 9.296 -10.064 -5.400 1.00 0.00 C ATOM 708 C ASP A 43 8.294 -9.108 -4.749 1.00 0.00 C ATOM 709 O ASP A 43 7.535 -9.506 -3.866 1.00 0.00 O ATOM 710 CB ASP A 43 8.549 -10.890 -6.449 1.00 0.00 C ATOM 711 CG ASP A 43 9.402 -11.364 -7.627 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.608 -11.601 -7.395 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.830 -11.478 -8.732 1.00 0.00 O ATOM 0 H ASP A 43 9.307 -11.722 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 43 10.105 -9.516 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.114 -11.762 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.721 -10.296 -6.835 1.00 0.00 H new ATOM 718 N VAL A 44 8.324 -7.866 -5.210 1.00 0.00 N ATOM 719 CA VAL A 44 7.427 -6.851 -4.684 1.00 0.00 C ATOM 720 C VAL A 44 6.135 -6.844 -5.502 1.00 0.00 C ATOM 721 O VAL A 44 6.165 -7.025 -6.719 1.00 0.00 O ATOM 722 CB VAL A 44 8.130 -5.492 -4.664 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.172 -4.386 -4.218 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.374 -5.531 -3.775 1.00 0.00 C ATOM 0 H VAL A 44 8.955 -7.540 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 44 7.156 -7.078 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 44 8.452 -5.267 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.697 -3.431 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.330 -4.334 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.806 -4.605 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.855 -4.553 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.085 -5.790 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.070 -6.278 -4.156 1.00 0.00 H new ATOM 734 N GLU A 45 5.030 -6.634 -4.803 1.00 0.00 N ATOM 735 CA GLU A 45 3.729 -6.601 -5.450 1.00 0.00 C ATOM 736 C GLU A 45 3.293 -5.154 -5.692 1.00 0.00 C ATOM 737 O GLU A 45 3.100 -4.393 -4.745 1.00 0.00 O ATOM 738 CB GLU A 45 2.686 -7.356 -4.623 1.00 0.00 C ATOM 739 CG GLU A 45 2.081 -8.509 -5.426 1.00 0.00 C ATOM 740 CD GLU A 45 2.713 -9.845 -5.029 1.00 0.00 C ATOM 741 OE1 GLU A 45 2.221 -10.435 -4.043 1.00 0.00 O ATOM 742 OE2 GLU A 45 3.674 -10.246 -5.721 1.00 0.00 O ATOM 0 H GLU A 45 5.008 -6.485 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 45 3.812 -7.102 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.148 -7.743 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.897 -6.671 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.005 -8.548 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.232 -8.334 -6.491 1.00 0.00 H new ATOM 749 N ILE A 46 3.151 -4.818 -6.966 1.00 0.00 N ATOM 750 CA ILE A 46 2.742 -3.477 -7.345 1.00 0.00 C ATOM 751 C ILE A 46 1.404 -3.546 -8.084 1.00 0.00 C ATOM 752 O ILE A 46 1.367 -3.822 -9.282 1.00 0.00 O ATOM 753 CB ILE A 46 3.850 -2.783 -8.141 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.082 -2.539 -7.268 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.337 -1.493 -8.784 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.751 -3.859 -6.882 1.00 0.00 C ATOM 0 H ILE A 46 3.312 -5.452 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 46 2.586 -2.862 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 46 4.156 -3.446 -8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.793 -1.910 -7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.792 -1.997 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.144 -1.020 -9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.514 -1.726 -9.460 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.987 -0.813 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.624 -3.657 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.045 -4.475 -6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.061 -4.387 -7.784 1.00 0.00 H new ATOM 768 N ALA A 47 0.339 -3.291 -7.339 1.00 0.00 N ATOM 769 CA ALA A 47 -0.997 -3.321 -7.909 1.00 0.00 C ATOM 770 C ALA A 47 -1.869 -2.275 -7.210 1.00 0.00 C ATOM 771 O ALA A 47 -1.736 -2.056 -6.007 1.00 0.00 O ATOM 772 CB ALA A 47 -1.572 -4.734 -7.789 1.00 0.00 C ATOM 0 H ALA A 47 0.374 -3.063 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.967 -3.070 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.574 -4.756 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.932 -5.434 -8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.619 -5.019 -6.738 1.00 0.00 H new ATOM 778 N ASN A 48 -2.741 -1.658 -7.994 1.00 0.00 N ATOM 779 CA ASN A 48 -3.634 -0.641 -7.465 1.00 0.00 C ATOM 780 C ASN A 48 -4.879 -1.314 -6.885 1.00 0.00 C ATOM 781 O ASN A 48 -5.571 -2.054 -7.582 1.00 0.00 O ATOM 782 CB ASN A 48 -4.085 0.321 -8.565 1.00 0.00 C ATOM 783 CG ASN A 48 -4.674 -0.442 -9.753 1.00 0.00 C ATOM 784 OD1 ASN A 48 -5.864 -0.700 -9.830 1.00 0.00 O ATOM 785 ND2 ASN A 48 -3.777 -0.788 -10.672 1.00 0.00 N ATOM 0 H ASN A 48 -2.848 -1.843 -8.991 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.095 -0.084 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.829 1.011 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.238 0.921 -8.898 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.070 -1.301 -11.503 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.796 -0.540 -10.545 1.00 0.00 H new ATOM 792 N ARG A 49 -5.127 -1.033 -5.614 1.00 0.00 N ATOM 793 CA ARG A 49 -6.277 -1.602 -4.932 1.00 0.00 C ATOM 794 C ARG A 49 -7.029 -0.514 -4.162 1.00 0.00 C ATOM 795 O ARG A 49 -6.435 0.478 -3.743 1.00 0.00 O ATOM 796 CB ARG A 49 -5.851 -2.704 -3.959 1.00 0.00 C ATOM 797 CG ARG A 49 -7.026 -3.626 -3.627 1.00 0.00 C ATOM 798 CD ARG A 49 -6.851 -4.995 -4.286 1.00 0.00 C ATOM 799 NE ARG A 49 -8.169 -5.649 -4.451 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.347 -6.845 -5.029 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.293 -7.525 -5.501 1.00 0.00 N ATOM 802 NH2 ARG A 49 -9.579 -7.361 -5.136 1.00 0.00 N ATOM 0 H ARG A 49 -4.551 -0.419 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.931 -2.035 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.039 -3.286 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.465 -2.256 -3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.105 -3.746 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.957 -3.171 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.368 -4.882 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.199 -5.621 -3.676 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.993 -5.159 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.355 -7.132 -5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.429 -8.435 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.382 -6.844 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.714 -8.271 -5.576 1.00 0.00 H new ATOM 816 N PHE A 50 -8.325 -0.738 -4.000 1.00 0.00 N ATOM 817 CA PHE A 50 -9.164 0.211 -3.288 1.00 0.00 C ATOM 818 C PHE A 50 -9.014 0.047 -1.774 1.00 0.00 C ATOM 819 O PHE A 50 -8.907 -1.072 -1.274 1.00 0.00 O ATOM 820 CB PHE A 50 -10.612 -0.091 -3.680 1.00 0.00 C ATOM 821 CG PHE A 50 -10.880 -1.566 -3.982 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.819 -2.487 -2.983 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.180 -1.957 -5.250 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.068 -3.857 -3.263 1.00 0.00 C ATOM 825 CE2 PHE A 50 -11.429 -3.327 -5.530 1.00 0.00 C ATOM 826 CZ PHE A 50 -11.368 -4.248 -4.531 1.00 0.00 C ATOM 0 H PHE A 50 -8.814 -1.562 -4.349 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.876 1.230 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.271 0.229 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.871 0.502 -4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.581 -2.176 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.229 -1.226 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.019 -4.588 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.667 -3.638 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.558 -5.290 -4.744 1.00 0.00 H new ATOM 836 N PRO A 51 -9.010 1.210 -1.068 1.00 0.00 N ATOM 837 CA PRO A 51 -8.875 1.206 0.379 1.00 0.00 C ATOM 838 C PRO A 51 -10.176 0.763 1.050 1.00 0.00 C ATOM 839 O PRO A 51 -10.756 1.506 1.839 1.00 0.00 O ATOM 840 CB PRO A 51 -8.475 2.628 0.740 1.00 0.00 C ATOM 841 CG PRO A 51 -8.852 3.484 -0.458 1.00 0.00 C ATOM 842 CD PRO A 51 -9.134 2.553 -1.626 1.00 0.00 C ATOM 0 HA PRO A 51 -8.128 0.494 0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.993 2.963 1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.407 2.693 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.729 4.090 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.044 4.172 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.130 2.721 -2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.425 2.711 -2.439 1.00 0.00 H new ATOM 850 N THR A 52 -10.596 -0.448 0.712 1.00 0.00 N ATOM 851 CA THR A 52 -11.818 -0.999 1.272 1.00 0.00 C ATOM 852 C THR A 52 -11.492 -1.980 2.400 1.00 0.00 C ATOM 853 O THR A 52 -10.688 -2.894 2.220 1.00 0.00 O ATOM 854 CB THR A 52 -12.619 -1.630 0.131 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.808 -2.718 -0.302 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.706 -0.719 -1.095 1.00 0.00 C ATOM 0 H THR A 52 -10.112 -1.062 0.058 1.00 0.00 H new ATOM 0 HA THR A 52 -12.431 -0.221 1.727 1.00 0.00 H new ATOM 0 HB THR A 52 -13.624 -1.867 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.917 -2.844 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.284 -1.213 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.193 0.216 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.702 -0.510 -1.465 1.00 0.00 H new ATOM 864 N TRP A 53 -12.133 -1.758 3.538 1.00 0.00 N ATOM 865 CA TRP A 53 -11.921 -2.611 4.695 1.00 0.00 C ATOM 866 C TRP A 53 -12.585 -3.961 4.415 1.00 0.00 C ATOM 867 O TRP A 53 -12.258 -4.962 5.051 1.00 0.00 O ATOM 868 CB TRP A 53 -12.438 -1.944 5.971 1.00 0.00 C ATOM 869 CG TRP A 53 -13.822 -1.307 5.823 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.018 -1.877 6.021 1.00 0.00 C ATOM 871 CD2 TRP A 53 -14.104 0.054 5.435 1.00 0.00 C ATOM 872 NE1 TRP A 53 -16.047 -0.987 5.790 1.00 0.00 N ATOM 873 CE2 TRP A 53 -15.474 0.225 5.422 1.00 0.00 C ATOM 874 CE3 TRP A 53 -13.232 1.106 5.105 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -16.093 1.435 5.087 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -13.866 2.309 4.772 1.00 0.00 C ATOM 877 CH2 TRP A 53 -15.243 2.497 4.755 1.00 0.00 C ATOM 0 H TRP A 53 -12.799 -1.000 3.684 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.857 -2.774 4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -12.474 -2.687 6.768 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -11.728 -1.178 6.282 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -15.159 -2.904 6.323 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -17.045 -1.182 5.874 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.158 0.995 5.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -17.168 1.543 5.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -13.241 3.150 4.510 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.656 3.458 4.487 1.00 0.00 H new ATOM 888 N ASP A 54 -13.507 -3.945 3.463 1.00 0.00 N ATOM 889 CA ASP A 54 -14.220 -5.155 3.092 1.00 0.00 C ATOM 890 C ASP A 54 -13.212 -6.275 2.827 1.00 0.00 C ATOM 891 O ASP A 54 -13.269 -7.328 3.460 1.00 0.00 O ATOM 892 CB ASP A 54 -15.036 -4.943 1.815 1.00 0.00 C ATOM 893 CG ASP A 54 -15.830 -6.164 1.345 1.00 0.00 C ATOM 894 OD1 ASP A 54 -16.114 -7.022 2.208 1.00 0.00 O ATOM 895 OD2 ASP A 54 -16.133 -6.211 0.133 1.00 0.00 O ATOM 0 H ASP A 54 -13.776 -3.113 2.938 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.891 -5.416 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.730 -4.118 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.360 -4.638 1.016 1.00 0.00 H new ATOM 900 N GLN A 55 -12.312 -6.010 1.892 1.00 0.00 N ATOM 901 CA GLN A 55 -11.292 -6.982 1.537 1.00 0.00 C ATOM 902 C GLN A 55 -10.127 -6.915 2.526 1.00 0.00 C ATOM 903 O GLN A 55 -9.711 -7.937 3.071 1.00 0.00 O ATOM 904 CB GLN A 55 -10.806 -6.768 0.102 1.00 0.00 C ATOM 905 CG GLN A 55 -10.269 -8.070 -0.496 1.00 0.00 C ATOM 906 CD GLN A 55 -11.409 -9.042 -0.806 1.00 0.00 C ATOM 907 OE1 GLN A 55 -12.573 -8.774 -0.557 1.00 0.00 O ATOM 908 NE2 GLN A 55 -11.011 -10.183 -1.361 1.00 0.00 N ATOM 0 H GLN A 55 -12.268 -5.135 1.369 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.732 -7.978 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.626 -6.393 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.025 -6.008 0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.713 -7.853 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.570 -8.533 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.020 -10.343 -1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.697 -10.898 -1.605 1.00 0.00 H new ATOM 917 N LEU A 56 -9.633 -5.703 2.728 1.00 0.00 N ATOM 918 CA LEU A 56 -8.524 -5.490 3.643 1.00 0.00 C ATOM 919 C LEU A 56 -8.937 -5.926 5.049 1.00 0.00 C ATOM 920 O LEU A 56 -8.092 -6.075 5.930 1.00 0.00 O ATOM 921 CB LEU A 56 -8.037 -4.041 3.566 1.00 0.00 C ATOM 922 CG LEU A 56 -7.651 -3.536 2.174 1.00 0.00 C ATOM 923 CD1 LEU A 56 -8.025 -4.556 1.097 1.00 0.00 C ATOM 924 CD2 LEU A 56 -8.263 -2.161 1.900 1.00 0.00 C ATOM 0 H LEU A 56 -9.980 -4.858 2.274 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.671 -6.105 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.820 -3.394 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.173 -3.934 4.222 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.568 -3.418 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.740 -4.172 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.501 -5.493 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.101 -4.731 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.973 -1.826 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.349 -2.228 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.903 -1.448 2.642 1.00 0.00 H new ATOM 936 N GLN A 57 -10.237 -6.118 5.217 1.00 0.00 N ATOM 937 CA GLN A 57 -10.773 -6.535 6.502 1.00 0.00 C ATOM 938 C GLN A 57 -9.815 -7.512 7.185 1.00 0.00 C ATOM 939 O GLN A 57 -9.740 -7.558 8.412 1.00 0.00 O ATOM 940 CB GLN A 57 -12.164 -7.152 6.342 1.00 0.00 C ATOM 941 CG GLN A 57 -12.402 -8.245 7.386 1.00 0.00 C ATOM 942 CD GLN A 57 -13.852 -8.732 7.348 1.00 0.00 C ATOM 943 OE1 GLN A 57 -14.752 -8.049 6.887 1.00 0.00 O ATOM 944 NE2 GLN A 57 -14.028 -9.947 7.859 1.00 0.00 N ATOM 0 H GLN A 57 -10.935 -5.992 4.484 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.874 -5.653 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.923 -6.377 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.267 -7.571 5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.728 -9.082 7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.169 -7.861 8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.231 -10.465 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.960 -10.361 7.881 1.00 0.00 H new ATOM 953 N TYR A 58 -9.106 -8.270 6.361 1.00 0.00 N ATOM 954 CA TYR A 58 -8.156 -9.244 6.870 1.00 0.00 C ATOM 955 C TYR A 58 -7.007 -8.554 7.608 1.00 0.00 C ATOM 956 O TYR A 58 -6.748 -8.849 8.774 1.00 0.00 O ATOM 957 CB TYR A 58 -7.597 -9.968 5.644 1.00 0.00 C ATOM 958 CG TYR A 58 -7.209 -11.425 5.905 1.00 0.00 C ATOM 959 CD1 TYR A 58 -8.140 -12.429 5.731 1.00 0.00 C ATOM 960 CD2 TYR A 58 -5.929 -11.736 6.316 1.00 0.00 C ATOM 961 CE1 TYR A 58 -7.776 -13.800 5.977 1.00 0.00 C ATOM 962 CE2 TYR A 58 -5.564 -13.107 6.562 1.00 0.00 C ATOM 963 CZ TYR A 58 -6.506 -14.071 6.380 1.00 0.00 C ATOM 964 OH TYR A 58 -6.161 -15.366 6.612 1.00 0.00 O ATOM 0 H TYR A 58 -9.171 -8.229 5.344 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.641 -9.923 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.340 -9.938 4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.721 -9.428 5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.142 -12.186 5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.200 -10.951 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.495 -14.595 5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.565 -13.364 6.884 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.223 -15.409 6.893 1.00 0.00 H new ATOM 974 N MET A 59 -6.348 -7.650 6.899 1.00 0.00 N ATOM 975 CA MET A 59 -5.233 -6.916 7.472 1.00 0.00 C ATOM 976 C MET A 59 -5.724 -5.848 8.451 1.00 0.00 C ATOM 977 O MET A 59 -5.032 -5.516 9.412 1.00 0.00 O ATOM 978 CB MET A 59 -4.429 -6.251 6.352 1.00 0.00 C ATOM 979 CG MET A 59 -4.015 -7.275 5.293 1.00 0.00 C ATOM 980 SD MET A 59 -2.964 -8.518 6.024 1.00 0.00 S ATOM 981 CE MET A 59 -1.683 -8.608 4.784 1.00 0.00 C ATOM 0 H MET A 59 -6.565 -7.409 5.932 1.00 0.00 H new ATOM 0 HA MET A 59 -4.602 -7.619 8.016 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.025 -5.464 5.889 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.542 -5.775 6.769 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.900 -7.743 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.490 -6.776 4.479 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.389 -9.648 4.639 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.057 -8.203 3.844 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.819 -8.029 5.110 1.00 0.00 H new ATOM 991 N ARG A 60 -6.915 -5.339 8.173 1.00 0.00 N ATOM 992 CA ARG A 60 -7.508 -4.315 9.017 1.00 0.00 C ATOM 993 C ARG A 60 -7.662 -4.832 10.449 1.00 0.00 C ATOM 994 O ARG A 60 -7.427 -4.096 11.406 1.00 0.00 O ATOM 995 CB ARG A 60 -8.877 -3.888 8.486 1.00 0.00 C ATOM 996 CG ARG A 60 -9.788 -3.428 9.626 1.00 0.00 C ATOM 997 CD ARG A 60 -10.612 -4.595 10.175 1.00 0.00 C ATOM 998 NE ARG A 60 -11.912 -4.103 10.682 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.053 -3.354 11.784 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -10.976 -3.005 12.500 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -13.272 -2.953 12.169 1.00 0.00 N ATOM 0 H ARG A 60 -7.486 -5.617 7.375 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.843 -3.452 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.755 -3.080 7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.342 -4.720 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.186 -2.996 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.455 -2.643 9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.775 -5.336 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.065 -5.092 10.976 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.753 -4.349 10.160 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.048 -3.309 12.206 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.084 -2.435 13.339 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.092 -3.218 11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.380 -2.383 13.008 1.00 0.00 H new ATOM 1015 N THR A 61 -8.056 -6.093 10.550 1.00 0.00 N ATOM 1016 CA THR A 61 -8.245 -6.716 11.849 1.00 0.00 C ATOM 1017 C THR A 61 -6.908 -6.833 12.583 1.00 0.00 C ATOM 1018 O THR A 61 -6.819 -6.529 13.771 1.00 0.00 O ATOM 1019 CB THR A 61 -8.938 -8.062 11.631 1.00 0.00 C ATOM 1020 OG1 THR A 61 -8.578 -8.427 10.301 1.00 0.00 O ATOM 1021 CG2 THR A 61 -10.462 -7.935 11.583 1.00 0.00 C ATOM 0 H THR A 61 -8.250 -6.700 9.754 1.00 0.00 H new ATOM 0 HA THR A 61 -8.881 -6.107 12.491 1.00 0.00 H new ATOM 0 HB THR A 61 -8.656 -8.749 12.429 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.334 -8.261 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.904 -8.919 11.426 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.822 -7.521 12.525 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.746 -7.275 10.764 1.00 0.00 H new ATOM 1029 N SER A 62 -5.900 -7.275 11.845 1.00 0.00 N ATOM 1030 CA SER A 62 -4.572 -7.436 12.411 1.00 0.00 C ATOM 1031 C SER A 62 -3.792 -6.125 12.298 1.00 0.00 C ATOM 1032 O SER A 62 -2.614 -6.127 11.943 1.00 0.00 O ATOM 1033 CB SER A 62 -3.811 -8.568 11.717 1.00 0.00 C ATOM 1034 OG SER A 62 -3.743 -8.378 10.306 1.00 0.00 O ATOM 0 H SER A 62 -5.977 -7.527 10.860 1.00 0.00 H new ATOM 0 HA SER A 62 -4.679 -7.698 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.802 -8.629 12.124 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.299 -9.518 11.932 1.00 0.00 H new ATOM 0 HG SER A 62 -4.124 -7.505 10.075 1.00 0.00 H new ATOM 1040 N CYS A 63 -4.481 -5.035 12.605 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.868 -3.720 12.542 1.00 0.00 C ATOM 1042 C CYS A 63 -4.876 -2.694 13.064 1.00 0.00 C ATOM 1043 O CYS A 63 -6.064 -2.774 12.754 1.00 0.00 O ATOM 1044 CB CYS A 63 -3.392 -3.384 11.127 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.663 -2.786 11.174 1.00 0.00 S ATOM 0 H CYS A 63 -5.458 -5.036 12.898 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.976 -3.702 13.168 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.463 -4.267 10.491 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.037 -2.623 10.689 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.268 -2.506 9.968 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.353 -1.730 13.867 1.00 0.00 N ATOM 1052 CA PRO A 64 -5.194 -0.690 14.434 1.00 0.00 C ATOM 1053 C PRO A 64 -5.572 0.348 13.375 1.00 0.00 C ATOM 1054 O PRO A 64 -6.683 0.876 13.386 1.00 0.00 O ATOM 1055 CB PRO A 64 -4.380 -0.104 15.576 1.00 0.00 C ATOM 1056 CG PRO A 64 -2.940 -0.515 15.315 1.00 0.00 C ATOM 1057 CD PRO A 64 -2.951 -1.604 14.255 1.00 0.00 C ATOM 0 HA PRO A 64 -6.148 -1.073 14.798 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.477 0.981 15.608 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.726 -0.483 16.537 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.354 0.340 14.978 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.475 -0.879 16.231 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.327 -1.334 13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.563 -2.544 14.649 1.00 0.00 H new ATOM 1065 N GLN A 65 -4.625 0.611 12.486 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.845 1.576 11.422 1.00 0.00 C ATOM 1067 C GLN A 65 -5.375 0.875 10.170 1.00 0.00 C ATOM 1068 O GLN A 65 -5.435 1.475 9.098 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.563 2.353 11.115 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.756 3.850 11.366 1.00 0.00 C ATOM 1071 CD GLN A 65 -2.528 4.453 12.052 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -2.055 3.975 13.069 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -2.040 5.528 11.439 1.00 0.00 N ATOM 0 H GLN A 65 -3.704 0.173 12.481 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.595 2.293 11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.749 1.978 11.736 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.274 2.189 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.936 4.361 10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.638 4.008 11.987 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.485 5.877 10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.221 6.004 11.818 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.745 -0.384 10.348 1.00 0.00 N ATOM 1083 CA GLY A 66 -6.268 -1.173 9.245 1.00 0.00 C ATOM 1084 C GLY A 66 -6.596 -0.286 8.043 1.00 0.00 C ATOM 1085 O GLY A 66 -5.722 0.013 7.231 1.00 0.00 O ATOM 0 H GLY A 66 -5.693 -0.878 11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.538 -1.928 8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.165 -1.703 9.566 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.891 0.121 7.965 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.345 0.969 6.876 1.00 0.00 C ATOM 1091 C PRO A 67 -7.868 2.410 7.066 1.00 0.00 C ATOM 1092 O PRO A 67 -7.677 3.138 6.094 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.860 0.839 6.882 1.00 0.00 C ATOM 1094 CG PRO A 67 -10.227 0.298 8.254 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.954 -0.213 8.909 1.00 0.00 C ATOM 0 HA PRO A 67 -7.936 0.669 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.335 1.803 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.197 0.166 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.683 1.079 8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.959 -0.505 8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.788 0.262 9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.003 -1.287 9.086 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.689 2.778 8.326 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.237 4.119 8.657 1.00 0.00 C ATOM 1105 C VAL A 68 -6.097 4.515 7.717 1.00 0.00 C ATOM 1106 O VAL A 68 -6.146 5.570 7.085 1.00 0.00 O ATOM 1107 CB VAL A 68 -6.845 4.190 10.134 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -6.624 5.639 10.574 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -7.893 3.504 11.013 1.00 0.00 C ATOM 0 H VAL A 68 -7.849 2.171 9.130 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.042 4.839 8.513 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.903 3.655 10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.346 5.661 11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.825 6.082 9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.543 6.207 10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.590 3.569 12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.856 3.997 10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.980 2.456 10.725 1.00 0.00 H new ATOM 1119 N SER A 69 -5.097 3.648 7.653 1.00 0.00 N ATOM 1120 CA SER A 69 -3.947 3.894 6.800 1.00 0.00 C ATOM 1121 C SER A 69 -4.379 3.919 5.333 1.00 0.00 C ATOM 1122 O SER A 69 -3.750 4.581 4.508 1.00 0.00 O ATOM 1123 CB SER A 69 -2.864 2.835 7.016 1.00 0.00 C ATOM 1124 OG SER A 69 -2.157 3.036 8.237 1.00 0.00 O ATOM 0 H SER A 69 -5.060 2.774 8.178 1.00 0.00 H new ATOM 0 HA SER A 69 -3.527 4.864 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.320 1.845 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.162 2.859 6.182 1.00 0.00 H new ATOM 0 HG SER A 69 -1.251 3.356 8.042 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.449 3.191 5.051 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.973 3.121 3.698 1.00 0.00 C ATOM 1132 C LEU A 70 -6.610 4.464 3.332 1.00 0.00 C ATOM 1133 O LEU A 70 -6.271 5.057 2.309 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.922 1.930 3.551 1.00 0.00 C ATOM 1135 CG LEU A 70 -6.289 0.625 3.063 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -4.762 0.721 3.066 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -6.790 -0.566 3.882 1.00 0.00 C ATOM 0 H LEU A 70 -5.968 2.644 5.738 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.166 2.945 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.392 1.744 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.716 2.207 2.858 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.599 0.460 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.338 -0.220 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.447 1.530 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.412 0.921 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.325 -1.481 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.530 -0.422 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.873 -0.645 3.785 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.520 4.903 4.189 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.207 6.164 3.969 1.00 0.00 C ATOM 1151 C GLN A 71 -7.219 7.329 4.053 1.00 0.00 C ATOM 1152 O GLN A 71 -7.118 8.131 3.126 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.354 6.345 4.966 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.932 4.992 5.387 1.00 0.00 C ATOM 1155 CD GLN A 71 -10.152 4.088 4.173 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -9.709 4.366 3.071 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -10.858 2.992 4.436 1.00 0.00 N ATOM 0 H GLN A 71 -7.797 4.408 5.037 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.638 6.150 2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.996 6.881 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.138 6.956 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.255 4.506 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.877 5.143 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.199 2.820 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.058 2.323 3.692 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.514 7.385 5.174 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.537 8.439 5.391 1.00 0.00 C ATOM 1168 C ARG A 72 -4.525 8.469 4.245 1.00 0.00 C ATOM 1169 O ARG A 72 -3.888 9.492 4.001 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.794 8.236 6.713 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.473 9.007 7.847 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.004 8.052 8.919 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.403 8.379 10.231 1.00 0.00 N ATOM 1174 CZ ARG A 72 -5.756 9.435 10.977 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -6.708 10.272 10.544 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.156 9.654 12.155 1.00 0.00 N ATOM 0 H ARG A 72 -6.600 6.718 5.941 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.074 9.387 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.763 7.174 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.761 8.569 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.763 9.703 8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.294 9.602 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.090 8.127 8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.770 7.022 8.649 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.674 7.762 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.164 10.106 9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.977 11.076 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.431 9.017 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.425 10.458 12.723 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.408 7.334 3.571 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.484 7.217 2.456 1.00 0.00 C ATOM 1192 C GLN A 73 -3.974 8.051 1.271 1.00 0.00 C ATOM 1193 O GLN A 73 -3.183 8.725 0.612 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.292 5.753 2.054 1.00 0.00 C ATOM 1195 CG GLN A 73 -2.004 5.184 2.653 1.00 0.00 C ATOM 1196 CD GLN A 73 -0.783 5.618 1.840 1.00 0.00 C ATOM 1197 OE1 GLN A 73 0.184 6.151 2.359 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -0.880 5.360 0.539 1.00 0.00 N ATOM 0 H GLN A 73 -4.938 6.487 3.776 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.515 7.603 2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.145 5.165 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.259 5.672 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.898 5.522 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.060 4.096 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.718 4.911 0.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.116 5.611 -0.089 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.276 7.980 1.036 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.880 8.720 -0.058 1.00 0.00 C ATOM 1209 C ILE A 74 -5.783 10.219 0.231 1.00 0.00 C ATOM 1210 O ILE A 74 -5.426 10.620 1.338 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.309 8.233 -0.310 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.478 7.750 -1.751 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.329 9.314 0.055 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.915 7.954 -2.234 1.00 0.00 C ATOM 0 H ILE A 74 -5.929 7.421 1.585 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.338 8.538 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.498 7.379 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.792 8.291 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.215 6.694 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.336 8.942 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.228 9.569 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.151 10.202 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -9.007 7.602 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.597 7.392 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.167 9.014 -2.190 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.117 11.029 -0.810 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.071 12.475 -0.678 1.00 0.00 C ATOM 1228 C PRO A 75 -7.254 12.988 0.146 1.00 0.00 C ATOM 1229 O PRO A 75 -7.066 13.692 1.137 1.00 0.00 O ATOM 1230 CB PRO A 75 -6.068 13.000 -2.104 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.580 11.859 -2.969 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.546 10.590 -2.135 1.00 0.00 C ATOM 0 HA PRO A 75 -5.189 12.821 -0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.706 13.878 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.065 13.301 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.595 12.064 -3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.961 11.747 -3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.526 10.115 -2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.854 9.859 -2.554 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.447 12.616 -0.295 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.660 13.030 0.388 1.00 0.00 C ATOM 1242 C LYS A 76 -10.006 12.005 1.470 1.00 0.00 C ATOM 1243 O LYS A 76 -11.103 11.447 1.473 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.788 13.267 -0.618 1.00 0.00 C ATOM 1245 CG LYS A 76 -10.674 14.655 -1.253 1.00 0.00 C ATOM 1246 CD LYS A 76 -11.355 15.714 -0.384 1.00 0.00 C ATOM 1247 CE LYS A 76 -11.571 17.010 -1.168 1.00 0.00 C ATOM 1248 NZ LYS A 76 -11.603 18.171 -0.251 1.00 0.00 N ATOM 0 H LYS A 76 -8.599 12.032 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.507 13.985 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.753 12.504 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.752 13.170 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.623 14.912 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.130 14.644 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.313 15.336 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.745 15.915 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.772 17.138 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.506 16.953 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.750 19.042 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.381 18.054 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.700 18.233 0.262 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.051 11.787 2.361 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.241 10.838 3.445 1.00 0.00 C ATOM 1264 C LEU A 77 -10.539 11.168 4.185 1.00 0.00 C ATOM 1265 O LEU A 77 -11.474 10.369 4.191 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.009 10.806 4.351 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.158 12.078 4.373 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -6.815 12.483 5.807 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -5.907 11.915 3.508 1.00 0.00 C ATOM 0 H LEU A 77 -8.143 12.251 2.355 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.346 9.827 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.337 10.594 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.376 9.975 4.041 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.744 12.889 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.210 13.390 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.734 12.668 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.256 11.680 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.320 12.833 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.308 11.087 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.201 11.709 2.479 1.00 0.00 H new ATOM 1281 N ASP A 78 -10.555 12.347 4.790 1.00 0.00 N ATOM 1282 CA ASP A 78 -11.723 12.793 5.530 1.00 0.00 C ATOM 1283 C ASP A 78 -12.988 12.384 4.773 1.00 0.00 C ATOM 1284 O ASP A 78 -14.038 12.174 5.379 1.00 0.00 O ATOM 1285 CB ASP A 78 -11.732 14.315 5.679 1.00 0.00 C ATOM 1286 CG ASP A 78 -13.028 14.902 6.244 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -13.128 14.961 7.489 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -13.888 15.277 5.419 1.00 0.00 O ATOM 0 H ASP A 78 -9.777 13.007 4.783 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.692 12.334 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.906 14.606 6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.544 14.762 4.703 1.00 0.00 H new ATOM 1293 N SER A 79 -12.846 12.283 3.460 1.00 0.00 N ATOM 1294 CA SER A 79 -13.965 11.902 2.614 1.00 0.00 C ATOM 1295 C SER A 79 -14.127 10.381 2.613 1.00 0.00 C ATOM 1296 O SER A 79 -15.179 9.865 2.990 1.00 0.00 O ATOM 1297 CB SER A 79 -13.775 12.417 1.185 1.00 0.00 C ATOM 1298 OG SER A 79 -13.383 11.378 0.292 1.00 0.00 O ATOM 0 H SER A 79 -11.974 12.458 2.961 1.00 0.00 H new ATOM 0 HA SER A 79 -14.870 12.356 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.705 12.865 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.020 13.203 1.180 1.00 0.00 H new ATOM 0 HG SER A 79 -13.054 11.771 -0.543 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.071 9.705 2.186 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.083 8.254 2.132 1.00 0.00 C ATOM 1306 C VAL A 80 -12.923 7.693 3.546 1.00 0.00 C ATOM 1307 O VAL A 80 -13.346 6.572 3.825 1.00 0.00 O ATOM 1308 CB VAL A 80 -12.004 7.757 1.166 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.634 8.331 1.533 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.966 6.228 1.127 1.00 0.00 C ATOM 0 H VAL A 80 -12.201 10.136 1.874 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.037 7.895 1.746 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.259 8.111 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.885 7.963 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.671 9.419 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.368 8.021 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.191 5.901 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.747 5.844 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.933 5.848 0.796 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.311 8.499 4.402 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.090 8.097 5.781 1.00 0.00 C ATOM 1322 C LEU A 81 -13.440 7.903 6.473 1.00 0.00 C ATOM 1323 O LEU A 81 -13.494 7.645 7.675 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.174 9.096 6.489 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.109 8.983 8.014 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -10.988 7.522 8.451 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -9.981 9.847 8.581 1.00 0.00 C ATOM 0 H LEU A 81 -11.962 9.428 4.167 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.570 7.140 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.166 8.978 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.501 10.104 6.233 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.044 9.365 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.944 7.470 9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.854 6.963 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.080 7.090 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.957 9.748 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.028 9.519 8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.153 10.890 8.315 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.498 8.034 5.686 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.844 7.876 6.209 1.00 0.00 C ATOM 1341 C LYS A 82 -16.698 7.122 5.187 1.00 0.00 C ATOM 1342 O LYS A 82 -16.596 5.903 5.067 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.425 9.233 6.614 1.00 0.00 C ATOM 1344 CG LYS A 82 -15.638 10.379 5.973 1.00 0.00 C ATOM 1345 CD LYS A 82 -16.570 11.519 5.558 1.00 0.00 C ATOM 1346 CE LYS A 82 -16.840 12.462 6.732 1.00 0.00 C ATOM 1347 NZ LYS A 82 -16.326 13.818 6.436 1.00 0.00 N ATOM 0 H LYS A 82 -14.450 8.248 4.690 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.831 7.277 7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -17.470 9.290 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.402 9.333 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.893 10.751 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.097 10.011 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.124 12.077 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.511 11.109 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.911 12.508 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.365 12.075 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.203 14.344 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.411 13.743 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.003 14.321 5.827 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.521 7.880 4.477 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.392 7.299 3.469 1.00 0.00 C ATOM 1363 C TYR A 83 -18.392 8.142 2.192 1.00 0.00 C ATOM 1364 O TYR A 83 -19.089 7.819 1.231 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.798 7.308 4.072 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.973 6.357 5.258 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.186 5.011 5.038 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -19.918 6.845 6.547 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.350 4.116 6.154 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.082 5.950 7.663 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.290 4.629 7.411 1.00 0.00 C ATOM 1372 OH TYR A 83 -20.446 3.784 8.465 1.00 0.00 O ATOM 0 H TYR A 83 -17.603 8.891 4.580 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.057 6.296 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -20.038 8.321 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.516 7.041 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -20.230 4.629 4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -19.752 7.898 6.719 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -20.517 3.061 5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -20.041 6.319 8.677 1.00 0.00 H new ATOM 0 HH TYR A 83 -20.378 4.289 9.302 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.603 9.206 2.224 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.503 10.097 1.081 1.00 0.00 C ATOM 1384 C LYS A 84 -16.974 9.317 -0.125 1.00 0.00 C ATOM 1385 O LYS A 84 -17.367 8.173 -0.348 1.00 0.00 O ATOM 1386 CB LYS A 84 -16.664 11.328 1.433 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.423 12.618 1.114 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.428 12.894 -0.391 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.438 14.005 -0.747 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.141 15.137 -1.392 1.00 0.00 N ATOM 0 H LYS A 84 -17.027 9.471 3.023 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.487 10.477 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.406 11.306 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.727 11.306 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.448 12.540 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.962 13.455 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.169 11.984 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.431 13.180 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.930 14.350 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.671 13.616 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.455 15.883 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.606 14.807 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.857 15.518 -0.740 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.092 9.967 -0.869 1.00 0.00 N ATOM 1405 CA HIS A 85 -15.506 9.349 -2.046 1.00 0.00 C ATOM 1406 C HIS A 85 -15.407 7.836 -1.836 1.00 0.00 C ATOM 1407 O HIS A 85 -15.513 7.065 -2.788 1.00 0.00 O ATOM 1408 CB HIS A 85 -14.158 9.990 -2.383 1.00 0.00 C ATOM 1409 CG HIS A 85 -14.244 11.460 -2.717 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -13.392 12.404 -2.171 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -15.088 12.138 -3.547 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -13.718 13.593 -2.656 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -14.770 13.426 -3.509 1.00 0.00 N ATOM 0 H HIS A 85 -15.769 10.916 -0.680 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.150 9.520 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.483 9.859 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -13.717 9.461 -3.228 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -15.881 11.701 -4.136 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -13.236 14.530 -2.418 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -15.235 14.169 -4.031 1.00 0.00 H new ATOM 1421 N THR A 86 -15.205 7.458 -0.582 1.00 0.00 N ATOM 1422 CA THR A 86 -15.090 6.052 -0.235 1.00 0.00 C ATOM 1423 C THR A 86 -16.217 5.248 -0.886 1.00 0.00 C ATOM 1424 O THR A 86 -16.049 4.066 -1.185 1.00 0.00 O ATOM 1425 CB THR A 86 -15.069 5.942 1.291 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.459 4.596 1.548 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.165 6.780 1.954 1.00 0.00 C ATOM 0 H THR A 86 -15.118 8.101 0.205 1.00 0.00 H new ATOM 0 HA THR A 86 -14.164 5.624 -0.619 1.00 0.00 H new ATOM 0 HB THR A 86 -14.095 6.258 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.470 4.438 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.105 6.666 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.030 7.829 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 86 -17.141 6.442 1.607 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.341 5.920 -1.087 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.495 5.283 -1.698 1.00 0.00 C ATOM 1437 C ASP A 87 -18.025 4.347 -2.813 1.00 0.00 C ATOM 1438 O ASP A 87 -16.862 3.951 -2.846 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.434 6.321 -2.316 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.897 6.210 -1.880 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.146 5.458 -0.914 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.733 6.881 -2.523 1.00 0.00 O ATOM 0 H ASP A 87 -17.477 6.900 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.027 4.733 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.069 7.316 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.386 6.232 -3.401 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.979 4.013 -3.723 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.675 3.132 -4.837 1.00 0.00 C ATOM 1449 C PRO A 88 -17.861 3.861 -5.907 1.00 0.00 C ATOM 1450 O PRO A 88 -17.889 3.485 -7.078 1.00 0.00 O ATOM 1451 CB PRO A 88 -20.027 2.654 -5.342 1.00 0.00 C ATOM 1452 CG PRO A 88 -21.047 3.641 -4.798 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.368 4.464 -3.715 1.00 0.00 C ATOM 0 HA PRO A 88 -18.052 2.286 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.050 2.629 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.238 1.643 -4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.415 4.288 -5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.910 3.113 -4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.439 5.531 -3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.832 4.299 -2.743 1.00 0.00 H new ATOM 1461 N THR A 89 -17.154 4.892 -5.467 1.00 0.00 N ATOM 1462 CA THR A 89 -16.333 5.678 -6.373 1.00 0.00 C ATOM 1463 C THR A 89 -14.882 5.194 -6.334 1.00 0.00 C ATOM 1464 O THR A 89 -14.233 5.082 -7.373 1.00 0.00 O ATOM 1465 CB THR A 89 -16.492 7.152 -5.996 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.614 7.820 -7.249 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.219 7.740 -5.383 1.00 0.00 C ATOM 0 H THR A 89 -17.133 5.201 -4.495 1.00 0.00 H new ATOM 0 HA THR A 89 -16.656 5.555 -7.407 1.00 0.00 H new ATOM 0 HB THR A 89 -17.317 7.259 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.753 7.799 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.386 8.788 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.962 7.188 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.401 7.663 -6.099 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.416 4.920 -5.125 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.054 4.450 -4.937 1.00 0.00 C ATOM 1477 C PHE A 90 -13.029 2.954 -4.617 1.00 0.00 C ATOM 1478 O PHE A 90 -12.059 2.264 -4.931 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.474 5.222 -3.750 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.635 6.438 -4.149 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.741 6.343 -5.169 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.784 7.615 -3.483 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.963 7.471 -5.539 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.005 8.743 -3.853 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.111 8.647 -4.873 1.00 0.00 C ATOM 0 H PHE A 90 -14.957 5.014 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.477 4.609 -5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.292 5.552 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.857 4.547 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.623 5.409 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.495 7.691 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.253 7.395 -6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.123 9.677 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.518 9.505 -5.154 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.106 2.495 -3.997 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.220 1.094 -3.632 1.00 0.00 C ATOM 1497 C GLY A 91 -13.892 0.189 -4.822 1.00 0.00 C ATOM 1498 O GLY A 91 -12.768 0.197 -5.321 1.00 0.00 O ATOM 0 H GLY A 91 -14.908 3.069 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.544 0.874 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.231 0.887 -3.281 1.00 0.00 H new ATOM 1502 N MET A 92 -14.894 -0.570 -5.241 1.00 0.00 N ATOM 1503 CA MET A 92 -14.726 -1.479 -6.362 1.00 0.00 C ATOM 1504 C MET A 92 -13.608 -1.002 -7.292 1.00 0.00 C ATOM 1505 O MET A 92 -12.734 -1.781 -7.668 1.00 0.00 O ATOM 1506 CB MET A 92 -16.037 -1.571 -7.146 1.00 0.00 C ATOM 1507 CG MET A 92 -16.540 -0.181 -7.538 1.00 0.00 C ATOM 1508 SD MET A 92 -17.252 0.634 -6.118 1.00 0.00 S ATOM 1509 CE MET A 92 -16.096 1.979 -5.920 1.00 0.00 C ATOM 0 H MET A 92 -15.825 -0.574 -4.824 1.00 0.00 H new ATOM 0 HA MET A 92 -14.455 -2.460 -5.972 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.888 -2.174 -8.042 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.791 -2.078 -6.543 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.717 0.414 -7.934 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.284 -0.265 -8.330 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.298 2.497 -4.983 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.079 1.586 -5.906 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.204 2.677 -6.751 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.672 0.276 -7.635 1.00 0.00 N ATOM 1520 CA ASP A 93 -12.676 0.866 -8.514 1.00 0.00 C ATOM 1521 C ASP A 93 -12.008 2.044 -7.801 1.00 0.00 C ATOM 1522 O ASP A 93 -12.579 3.130 -7.720 1.00 0.00 O ATOM 1523 CB ASP A 93 -13.318 1.394 -9.798 1.00 0.00 C ATOM 1524 CG ASP A 93 -14.803 1.062 -9.963 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -15.108 -0.147 -10.042 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -15.598 2.025 -10.006 1.00 0.00 O ATOM 0 H ASP A 93 -14.398 0.920 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.948 0.094 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.198 2.477 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.774 0.989 -10.651 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.807 1.788 -7.302 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.055 2.813 -6.599 1.00 0.00 C ATOM 1533 C LEU A 94 -9.125 3.523 -7.585 1.00 0.00 C ATOM 1534 O LEU A 94 -9.182 4.744 -7.728 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.329 2.213 -5.393 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.901 2.707 -5.156 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -6.911 1.982 -6.071 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.814 4.227 -5.307 1.00 0.00 C ATOM 0 H LEU A 94 -10.337 0.886 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.728 3.568 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.917 2.421 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.303 1.130 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.624 2.470 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.903 2.352 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.948 0.911 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.176 2.166 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.788 4.552 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.119 4.511 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.473 4.703 -4.581 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.291 2.729 -8.240 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.351 3.267 -9.209 1.00 0.00 C ATOM 1552 C GLN A 95 -8.092 4.074 -10.277 1.00 0.00 C ATOM 1553 O GLN A 95 -7.540 5.017 -10.841 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.519 2.151 -9.844 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.127 2.656 -10.230 1.00 0.00 C ATOM 1556 CD GLN A 95 -5.179 3.467 -11.526 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -4.746 4.606 -11.594 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -5.731 2.818 -12.548 1.00 0.00 N ATOM 0 H GLN A 95 -8.246 1.717 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.665 3.935 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.427 1.319 -9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.030 1.770 -10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.724 3.273 -9.427 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.450 1.810 -10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.073 1.865 -12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.812 3.273 -13.457 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.331 3.674 -10.521 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.153 4.348 -11.512 1.00 0.00 C ATOM 1569 C LYS A 96 -10.359 5.804 -11.091 1.00 0.00 C ATOM 1570 O LYS A 96 -10.541 6.679 -11.937 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.458 3.582 -11.735 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.183 2.112 -12.059 1.00 0.00 C ATOM 1573 CD LYS A 96 -9.994 1.973 -13.011 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.217 2.786 -14.288 1.00 0.00 C ATOM 1575 NZ LYS A 96 -8.922 3.129 -14.917 1.00 0.00 N ATOM 0 H LYS A 96 -9.786 2.892 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.650 4.363 -12.479 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.081 3.651 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.017 4.039 -12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.982 1.565 -11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.068 1.664 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.084 2.311 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.847 0.923 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.828 2.215 -14.987 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.767 3.697 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.092 3.681 -15.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.352 3.692 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.411 2.256 -15.158 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.323 6.020 -9.784 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.503 7.356 -9.241 1.00 0.00 C ATOM 1591 C CYS A 97 -9.122 7.961 -8.986 1.00 0.00 C ATOM 1592 O CYS A 97 -8.863 9.106 -9.357 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.362 7.341 -7.975 1.00 0.00 C ATOM 1594 SG CYS A 97 -13.135 7.442 -8.420 1.00 0.00 S ATOM 0 H CYS A 97 -10.172 5.292 -9.085 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.042 7.974 -9.959 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.172 6.430 -7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.092 8.179 -7.332 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.691 6.279 -8.254 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.270 7.167 -8.355 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.921 7.610 -8.046 1.00 0.00 C ATOM 1602 C VAL A 98 -6.168 7.884 -9.349 1.00 0.00 C ATOM 1603 O VAL A 98 -5.323 8.777 -9.406 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.222 6.580 -7.157 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.703 6.648 -7.329 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.617 6.763 -5.690 1.00 0.00 C ATOM 0 H VAL A 98 -8.488 6.219 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.945 8.542 -7.482 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.550 5.589 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.230 5.906 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.445 6.445 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.350 7.642 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.106 6.018 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.332 7.761 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.695 6.640 -5.585 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.501 7.101 -10.364 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.867 7.248 -11.663 1.00 0.00 C ATOM 1618 C GLN A 99 -5.684 8.729 -11.999 1.00 0.00 C ATOM 1619 O GLN A 99 -4.785 9.090 -12.757 1.00 0.00 O ATOM 1620 CB GLN A 99 -6.672 6.534 -12.750 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.172 6.776 -12.570 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.676 7.845 -13.542 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -9.327 8.806 -13.165 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.339 7.625 -14.810 1.00 0.00 N ATOM 0 H GLN A 99 -7.202 6.362 -10.313 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.883 6.781 -11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.358 6.888 -13.732 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.466 5.464 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.716 5.846 -12.733 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.373 7.088 -11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.792 6.800 -15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.627 8.281 -15.536 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.551 9.546 -11.419 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.496 10.980 -11.649 1.00 0.00 C ATOM 1635 C ARG A 100 -7.885 11.598 -11.478 1.00 0.00 C ATOM 1636 O ARG A 100 -8.010 12.803 -11.265 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.974 11.294 -13.052 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.827 10.608 -14.121 1.00 0.00 C ATOM 1639 CD ARG A 100 -7.668 11.629 -14.890 1.00 0.00 C ATOM 1640 NE ARG A 100 -8.998 11.058 -15.201 1.00 0.00 N ATOM 1641 CZ ARG A 100 -9.274 10.360 -16.311 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -8.316 10.143 -17.222 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -10.509 9.880 -16.510 1.00 0.00 N ATOM 0 H ARG A 100 -7.295 9.243 -10.791 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.812 11.407 -10.916 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.980 12.372 -13.213 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.939 10.964 -13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.182 10.067 -14.814 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.481 9.872 -13.653 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.782 12.537 -14.299 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.159 11.911 -15.812 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.751 11.205 -14.529 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.376 10.509 -17.071 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.527 9.612 -18.067 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.239 10.046 -15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.720 9.349 -17.355 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.894 10.745 -11.580 1.00 0.00 N ATOM 1658 CA GLY A 101 -10.269 11.192 -11.440 1.00 0.00 C ATOM 1659 C GLY A 101 -10.471 11.940 -10.120 1.00 0.00 C ATOM 1660 O GLY A 101 -10.008 13.069 -9.965 1.00 0.00 O ATOM 0 H GLY A 101 -8.786 9.746 -11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.530 11.843 -12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.940 10.334 -11.482 1.00 0.00 H new ATOM 1664 N LEU A 102 -11.163 11.281 -9.203 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.431 11.869 -7.902 1.00 0.00 C ATOM 1666 C LEU A 102 -10.306 12.842 -7.544 1.00 0.00 C ATOM 1667 O LEU A 102 -10.459 14.054 -7.688 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.655 10.776 -6.855 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.655 11.104 -5.745 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -11.992 11.918 -4.632 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.891 11.807 -6.311 1.00 0.00 C ATOM 0 H LEU A 102 -11.546 10.345 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.355 12.446 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.993 9.875 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.696 10.540 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.992 10.167 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.725 12.138 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.170 11.345 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.608 12.852 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.586 12.029 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.591 12.736 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.378 11.158 -7.039 1.00 0.00 H new ATOM 1683 N TRP A 103 -9.200 12.274 -7.086 1.00 0.00 N ATOM 1684 CA TRP A 103 -8.049 13.076 -6.707 1.00 0.00 C ATOM 1685 C TRP A 103 -6.786 12.307 -7.101 1.00 0.00 C ATOM 1686 O TRP A 103 -6.823 11.088 -7.265 1.00 0.00 O ATOM 1687 CB TRP A 103 -8.093 13.430 -5.219 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.429 14.896 -4.938 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -9.533 15.571 -5.286 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -7.605 15.846 -4.230 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -9.480 16.881 -4.857 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.271 17.054 -4.194 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -6.338 15.690 -3.640 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -7.750 18.199 -3.579 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -5.831 16.843 -3.030 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -6.489 18.067 -2.985 1.00 0.00 C ATOM 0 H TRP A 103 -9.077 11.268 -6.969 1.00 0.00 H new ATOM 0 HA TRP A 103 -8.054 14.030 -7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.832 12.798 -4.727 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.127 13.197 -4.772 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.360 15.143 -5.833 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.197 17.592 -5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.799 14.754 -3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.291 19.133 -3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.860 16.777 -2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -6.030 18.912 -2.494 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.699 13.051 -7.243 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.428 12.454 -7.616 1.00 0.00 C ATOM 1709 C ASN A 104 -3.516 12.399 -6.388 1.00 0.00 C ATOM 1710 O ASN A 104 -2.784 13.348 -6.111 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.723 13.284 -8.691 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.482 14.716 -8.208 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.372 15.390 -7.715 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.233 15.141 -8.376 1.00 0.00 N ATOM 0 H ASN A 104 -5.672 14.061 -7.107 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.626 11.455 -8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.772 12.819 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.327 13.299 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.971 16.083 -8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.537 14.525 -8.796 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.593 11.249 -5.666 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.783 11.058 -4.475 1.00 0.00 C ATOM 1723 C PRO A 105 -1.326 10.771 -4.842 1.00 0.00 C ATOM 1724 O PRO A 105 -0.992 10.646 -6.019 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.445 9.910 -3.729 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.318 9.199 -4.750 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.449 10.105 -5.964 1.00 0.00 C ATOM 0 HA PRO A 105 -2.739 11.950 -3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.699 9.232 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.041 10.279 -2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.874 8.244 -5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.299 8.982 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.129 9.597 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.483 10.414 -6.118 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.498 10.676 -3.812 1.00 0.00 N ATOM 1736 CA LYS A 106 0.916 10.406 -4.012 1.00 0.00 C ATOM 1737 C LYS A 106 1.460 9.639 -2.805 1.00 0.00 C ATOM 1738 O LYS A 106 2.373 10.108 -2.127 1.00 0.00 O ATOM 1739 CB LYS A 106 1.672 11.703 -4.307 1.00 0.00 C ATOM 1740 CG LYS A 106 0.702 12.861 -4.550 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.039 13.234 -3.264 1.00 0.00 C ATOM 1742 CE LYS A 106 0.806 12.909 -2.031 1.00 0.00 C ATOM 1743 NZ LYS A 106 2.054 13.705 -2.032 1.00 0.00 N ATOM 0 H LYS A 106 -0.779 10.781 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 106 1.063 9.772 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.329 11.943 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.307 11.567 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.249 13.727 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.017 12.582 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.280 14.297 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.984 12.693 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.235 13.118 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.046 11.846 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.870 13.072 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.144 14.209 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.027 14.394 -1.254 1.00 0.00 H new ATOM 1757 N GLU A 107 0.876 8.472 -2.574 1.00 0.00 N ATOM 1758 CA GLU A 107 1.291 7.636 -1.461 1.00 0.00 C ATOM 1759 C GLU A 107 1.279 6.162 -1.871 1.00 0.00 C ATOM 1760 O GLU A 107 0.490 5.758 -2.724 1.00 0.00 O ATOM 1761 CB GLU A 107 0.402 7.871 -0.237 1.00 0.00 C ATOM 1762 CG GLU A 107 0.316 9.361 0.099 1.00 0.00 C ATOM 1763 CD GLU A 107 1.641 9.871 0.670 1.00 0.00 C ATOM 1764 OE1 GLU A 107 2.181 9.178 1.558 1.00 0.00 O ATOM 1765 OE2 GLU A 107 2.084 10.944 0.205 1.00 0.00 O ATOM 0 H GLU A 107 0.119 8.086 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 107 2.310 7.909 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.597 7.479 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.801 7.324 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.061 9.926 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.484 9.529 0.820 1.00 0.00 H new ATOM 1772 N ALA A 108 2.163 5.399 -1.245 1.00 0.00 N ATOM 1773 CA ALA A 108 2.264 3.979 -1.535 1.00 0.00 C ATOM 1774 C ALA A 108 1.833 3.179 -0.304 1.00 0.00 C ATOM 1775 O ALA A 108 2.356 3.388 0.790 1.00 0.00 O ATOM 1776 CB ALA A 108 3.692 3.648 -1.975 1.00 0.00 C ATOM 0 H ALA A 108 2.816 5.737 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 108 1.599 3.707 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.768 2.583 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.939 4.220 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.388 3.906 -1.176 1.00 0.00 H new ATOM 1782 N LEU A 109 0.884 2.281 -0.523 1.00 0.00 N ATOM 1783 CA LEU A 109 0.377 1.450 0.555 1.00 0.00 C ATOM 1784 C LEU A 109 1.136 0.121 0.569 1.00 0.00 C ATOM 1785 O LEU A 109 1.245 -0.546 -0.459 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.140 1.290 0.440 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.861 2.329 -0.422 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.048 1.821 -1.852 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -3.188 2.746 0.217 1.00 0.00 C ATOM 0 H LEU A 109 0.453 2.111 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 109 0.552 1.928 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.351 0.301 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.566 1.321 1.443 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.236 3.220 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.563 2.579 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.074 1.615 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.641 0.907 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.680 3.485 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.831 1.872 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.999 3.178 1.200 1.00 0.00 H new ATOM 1801 N TRP A 110 1.641 -0.223 1.745 1.00 0.00 N ATOM 1802 CA TRP A 110 2.386 -1.459 1.906 1.00 0.00 C ATOM 1803 C TRP A 110 1.502 -2.449 2.668 1.00 0.00 C ATOM 1804 O TRP A 110 0.770 -2.060 3.577 1.00 0.00 O ATOM 1805 CB TRP A 110 3.729 -1.205 2.594 1.00 0.00 C ATOM 1806 CG TRP A 110 3.633 -1.074 4.116 1.00 0.00 C ATOM 1807 CD1 TRP A 110 3.581 0.049 4.845 1.00 0.00 C ATOM 1808 CD2 TRP A 110 3.579 -2.155 5.070 1.00 0.00 C ATOM 1809 NE1 TRP A 110 3.499 -0.228 6.195 1.00 0.00 N ATOM 1810 CE2 TRP A 110 3.497 -1.611 6.335 1.00 0.00 C ATOM 1811 CE3 TRP A 110 3.599 -3.547 4.870 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 3.429 -2.386 7.500 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 3.530 -4.307 6.044 1.00 0.00 C ATOM 1814 CH2 TRP A 110 3.448 -3.775 7.325 1.00 0.00 C ATOM 0 H TRP A 110 1.548 0.333 2.595 1.00 0.00 H new ATOM 0 HA TRP A 110 2.633 -1.889 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.410 -2.021 2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.167 -0.293 2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 110 3.601 1.045 4.429 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.449 0.456 6.950 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.663 -3.994 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 3.365 -1.936 8.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.541 -5.383 5.947 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.399 -4.430 8.182 1.00 0.00 H new ATOM 1825 N VAL A 111 1.598 -3.708 2.269 1.00 0.00 N ATOM 1826 CA VAL A 111 0.816 -4.756 2.903 1.00 0.00 C ATOM 1827 C VAL A 111 1.483 -6.109 2.648 1.00 0.00 C ATOM 1828 O VAL A 111 1.769 -6.459 1.503 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.631 -4.700 2.409 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.969 -5.928 1.561 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.605 -4.558 3.581 1.00 0.00 C ATOM 0 H VAL A 111 2.206 -4.027 1.514 1.00 0.00 H new ATOM 0 HA VAL A 111 0.783 -4.608 3.982 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.736 -3.818 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.003 -5.863 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.306 -5.967 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.839 -6.830 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.627 -4.520 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.497 -5.412 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.386 -3.640 4.127 1.00 0.00 H new ATOM 1841 N ASP A 112 1.712 -6.834 3.733 1.00 0.00 N ATOM 1842 CA ASP A 112 2.340 -8.141 3.641 1.00 0.00 C ATOM 1843 C ASP A 112 1.495 -9.163 4.405 1.00 0.00 C ATOM 1844 O ASP A 112 0.966 -8.862 5.474 1.00 0.00 O ATOM 1845 CB ASP A 112 3.738 -8.126 4.263 1.00 0.00 C ATOM 1846 CG ASP A 112 4.892 -8.114 3.258 1.00 0.00 C ATOM 1847 OD1 ASP A 112 5.161 -7.021 2.716 1.00 0.00 O ATOM 1848 OD2 ASP A 112 5.479 -9.199 3.055 1.00 0.00 O ATOM 0 H ASP A 112 1.474 -6.541 4.681 1.00 0.00 H new ATOM 0 HA ASP A 112 2.417 -8.404 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.825 -7.249 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.843 -9.001 4.904 1.00 0.00 H new ATOM 1853 N TRP A 113 1.394 -10.350 3.826 1.00 0.00 N ATOM 1854 CA TRP A 113 0.622 -11.418 4.438 1.00 0.00 C ATOM 1855 C TRP A 113 1.586 -12.548 4.806 1.00 0.00 C ATOM 1856 O TRP A 113 1.157 -13.655 5.126 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.510 -11.875 3.516 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.150 -10.743 2.709 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -0.541 -9.835 1.935 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.558 -10.435 2.628 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -1.449 -8.968 1.363 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -2.714 -9.344 1.798 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -3.662 -11.057 3.236 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -3.961 -8.780 1.500 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -4.901 -10.481 2.929 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -5.075 -9.383 2.095 1.00 0.00 C ATOM 0 H TRP A 113 1.834 -10.596 2.939 1.00 0.00 H new ATOM 0 HA TRP A 113 0.133 -11.067 5.347 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.123 -12.625 2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -1.280 -12.360 4.116 1.00 0.00 H new ATOM 0 HD1 TRP A 113 0.527 -9.788 1.778 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -1.232 -8.193 0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.563 -11.912 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.058 -7.926 0.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.783 -10.921 3.371 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.066 -8.997 1.907 1.00 0.00 H new ATOM 1877 N GLU A 114 2.871 -12.229 4.747 1.00 0.00 N ATOM 1878 CA GLU A 114 3.899 -13.203 5.069 1.00 0.00 C ATOM 1879 C GLU A 114 4.261 -13.122 6.554 1.00 0.00 C ATOM 1880 O GLU A 114 4.349 -14.145 7.232 1.00 0.00 O ATOM 1881 CB GLU A 114 5.137 -13.005 4.192 1.00 0.00 C ATOM 1882 CG GLU A 114 5.614 -14.336 3.607 1.00 0.00 C ATOM 1883 CD GLU A 114 4.686 -14.806 2.486 1.00 0.00 C ATOM 1884 OE1 GLU A 114 3.552 -14.282 2.430 1.00 0.00 O ATOM 1885 OE2 GLU A 114 5.130 -15.679 1.709 1.00 0.00 O ATOM 0 H GLU A 114 3.223 -11.309 4.481 1.00 0.00 H new ATOM 0 HA GLU A 114 3.505 -14.198 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.907 -12.310 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.936 -12.556 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.628 -14.226 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.652 -15.090 4.393 1.00 0.00 H new ATOM 1892 N ASN A 115 4.460 -11.896 7.015 1.00 0.00 N ATOM 1893 CA ASN A 115 4.810 -11.669 8.407 1.00 0.00 C ATOM 1894 C ASN A 115 3.661 -10.938 9.104 1.00 0.00 C ATOM 1895 O ASN A 115 3.856 -10.322 10.150 1.00 0.00 O ATOM 1896 CB ASN A 115 6.064 -10.799 8.525 1.00 0.00 C ATOM 1897 CG ASN A 115 7.163 -11.525 9.303 1.00 0.00 C ATOM 1898 OD1 ASN A 115 7.455 -11.219 10.447 1.00 0.00 O ATOM 1899 ND2 ASN A 115 7.755 -12.500 8.620 1.00 0.00 N ATOM 0 H ASN A 115 4.386 -11.050 6.450 1.00 0.00 H new ATOM 0 HA ASN A 115 4.998 -12.638 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.427 -10.541 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.816 -9.863 9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.503 -13.044 9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.462 -12.704 7.665 1.00 0.00 H new ATOM 1906 N LYS A 116 2.487 -11.031 8.496 1.00 0.00 N ATOM 1907 CA LYS A 116 1.307 -10.387 9.045 1.00 0.00 C ATOM 1908 C LYS A 116 1.606 -8.907 9.291 1.00 0.00 C ATOM 1909 O LYS A 116 1.215 -8.353 10.317 1.00 0.00 O ATOM 1910 CB LYS A 116 0.821 -11.131 10.291 1.00 0.00 C ATOM 1911 CG LYS A 116 1.588 -10.678 11.534 1.00 0.00 C ATOM 1912 CD LYS A 116 2.372 -11.840 12.148 1.00 0.00 C ATOM 1913 CE LYS A 116 2.571 -11.634 13.651 1.00 0.00 C ATOM 1914 NZ LYS A 116 1.683 -12.533 14.420 1.00 0.00 N ATOM 0 H LYS A 116 2.329 -11.543 7.628 1.00 0.00 H new ATOM 0 HA LYS A 116 0.483 -10.432 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.245 -10.953 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.949 -12.204 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.273 -9.872 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.891 -10.276 12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.840 -12.775 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.342 -11.928 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.611 -11.827 13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.362 -10.597 13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.831 -12.380 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.692 -12.330 14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.901 -13.522 14.183 1.00 0.00 H new ATOM 1928 N LEU A 117 2.298 -8.309 8.332 1.00 0.00 N ATOM 1929 CA LEU A 117 2.655 -6.904 8.432 1.00 0.00 C ATOM 1930 C LEU A 117 1.845 -6.103 7.410 1.00 0.00 C ATOM 1931 O LEU A 117 1.793 -6.463 6.235 1.00 0.00 O ATOM 1932 CB LEU A 117 4.168 -6.724 8.295 1.00 0.00 C ATOM 1933 CG LEU A 117 4.931 -6.454 9.593 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.361 -6.991 9.509 1.00 0.00 C ATOM 1935 CD2 LEU A 117 4.898 -4.967 9.950 1.00 0.00 C ATOM 0 H LEU A 117 2.621 -8.772 7.482 1.00 0.00 H new ATOM 0 HA LEU A 117 2.400 -6.515 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.581 -7.622 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.355 -5.898 7.608 1.00 0.00 H new ATOM 0 HG LEU A 117 4.432 -6.990 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.882 -6.786 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.336 -8.067 9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.885 -6.503 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.448 -4.803 10.877 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.358 -4.390 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.864 -4.647 10.080 1.00 0.00 H new ATOM 1947 N VAL A 118 1.234 -5.032 7.894 1.00 0.00 N ATOM 1948 CA VAL A 118 0.430 -4.177 7.038 1.00 0.00 C ATOM 1949 C VAL A 118 0.590 -2.722 7.482 1.00 0.00 C ATOM 1950 O VAL A 118 0.831 -2.451 8.657 1.00 0.00 O ATOM 1951 CB VAL A 118 -1.026 -4.648 7.046 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -1.956 -3.565 6.497 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -1.184 -5.955 6.266 1.00 0.00 C ATOM 0 H VAL A 118 1.280 -4.737 8.869 1.00 0.00 H new ATOM 0 HA VAL A 118 0.772 -4.241 6.005 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.310 -4.840 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.984 -3.926 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.875 -2.670 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.672 -3.327 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.228 -6.268 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.872 -5.802 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.565 -6.728 6.721 1.00 0.00 H new ATOM 1963 N GLY A 119 0.449 -1.823 6.518 1.00 0.00 N ATOM 1964 CA GLY A 119 0.574 -0.403 6.795 1.00 0.00 C ATOM 1965 C GLY A 119 0.503 0.416 5.505 1.00 0.00 C ATOM 1966 O GLY A 119 0.038 -0.076 4.478 1.00 0.00 O ATOM 0 H GLY A 119 0.249 -2.052 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -0.220 -0.090 7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 119 1.520 -0.210 7.301 1.00 0.00 H new ATOM 1970 N ASN A 120 0.971 1.652 5.599 1.00 0.00 N ATOM 1971 CA ASN A 120 0.966 2.544 4.452 1.00 0.00 C ATOM 1972 C ASN A 120 2.293 3.302 4.395 1.00 0.00 C ATOM 1973 O ASN A 120 3.192 3.049 5.196 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.162 3.573 4.559 1.00 0.00 C ATOM 1975 CG ASN A 120 -0.120 4.294 5.908 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -0.251 3.698 6.964 1.00 0.00 O ATOM 1977 ND2 ASN A 120 0.068 5.607 5.813 1.00 0.00 N ATOM 0 H ASN A 120 1.356 2.057 6.452 1.00 0.00 H new ATOM 0 HA ASN A 120 0.820 1.940 3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.074 4.300 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.125 3.077 4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.110 6.179 6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.170 6.043 4.896 1.00 0.00 H new ATOM 1984 N GLU A 121 2.375 4.217 3.441 1.00 0.00 N ATOM 1985 CA GLU A 121 3.578 5.014 3.269 1.00 0.00 C ATOM 1986 C GLU A 121 4.658 4.198 2.556 1.00 0.00 C ATOM 1987 O GLU A 121 4.801 3.001 2.803 1.00 0.00 O ATOM 1988 CB GLU A 121 4.085 5.538 4.614 1.00 0.00 C ATOM 1989 CG GLU A 121 4.150 7.067 4.617 1.00 0.00 C ATOM 1990 CD GLU A 121 4.240 7.609 6.045 1.00 0.00 C ATOM 1991 OE1 GLU A 121 5.136 7.134 6.777 1.00 0.00 O ATOM 1992 OE2 GLU A 121 3.411 8.485 6.373 1.00 0.00 O ATOM 0 H GLU A 121 1.628 4.425 2.779 1.00 0.00 H new ATOM 0 HA GLU A 121 3.334 5.877 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.427 5.197 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.074 5.128 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.015 7.399 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.266 7.473 4.125 1.00 0.00 H new ATOM 1999 N PRO A 122 5.410 4.895 1.663 1.00 0.00 N ATOM 2000 CA PRO A 122 6.473 4.248 0.912 1.00 0.00 C ATOM 2001 C PRO A 122 7.695 3.997 1.798 1.00 0.00 C ATOM 2002 O PRO A 122 8.407 3.012 1.614 1.00 0.00 O ATOM 2003 CB PRO A 122 6.762 5.186 -0.248 1.00 0.00 C ATOM 2004 CG PRO A 122 6.183 6.534 0.151 1.00 0.00 C ATOM 2005 CD PRO A 122 5.269 6.313 1.345 1.00 0.00 C ATOM 0 HA PRO A 122 6.190 3.261 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.834 5.260 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.305 4.822 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.981 7.232 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.628 6.972 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.561 6.939 2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.236 6.564 1.105 1.00 0.00 H new ATOM 2013 N ALA A 123 7.900 4.907 2.739 1.00 0.00 N ATOM 2014 CA ALA A 123 9.024 4.797 3.654 1.00 0.00 C ATOM 2015 C ALA A 123 8.814 3.589 4.570 1.00 0.00 C ATOM 2016 O ALA A 123 9.778 2.995 5.050 1.00 0.00 O ATOM 2017 CB ALA A 123 9.176 6.103 4.436 1.00 0.00 C ATOM 0 H ALA A 123 7.307 5.724 2.888 1.00 0.00 H new ATOM 0 HA ALA A 123 9.952 4.637 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.019 6.020 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.353 6.924 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.265 6.296 5.002 1.00 0.00 H new ATOM 2023 N ASP A 124 7.548 3.263 4.785 1.00 0.00 N ATOM 2024 CA ASP A 124 7.199 2.137 5.635 1.00 0.00 C ATOM 2025 C ASP A 124 7.912 0.882 5.129 1.00 0.00 C ATOM 2026 O ASP A 124 8.508 0.144 5.912 1.00 0.00 O ATOM 2027 CB ASP A 124 5.693 1.870 5.605 1.00 0.00 C ATOM 2028 CG ASP A 124 4.934 2.303 6.861 1.00 0.00 C ATOM 2029 OD1 ASP A 124 4.680 3.521 6.979 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.626 1.406 7.675 1.00 0.00 O ATOM 0 H ASP A 124 6.751 3.759 4.385 1.00 0.00 H new ATOM 0 HA ASP A 124 7.502 2.377 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.265 2.385 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.531 0.803 5.451 1.00 0.00 H new ATOM 2035 N ILE A 125 7.827 0.677 3.823 1.00 0.00 N ATOM 2036 CA ILE A 125 8.456 -0.476 3.203 1.00 0.00 C ATOM 2037 C ILE A 125 9.918 -0.556 3.650 1.00 0.00 C ATOM 2038 O ILE A 125 10.364 -1.590 4.144 1.00 0.00 O ATOM 2039 CB ILE A 125 8.280 -0.432 1.684 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.924 -1.011 1.273 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.441 -1.133 0.976 1.00 0.00 C ATOM 2042 CD1 ILE A 125 6.768 -1.012 -0.249 1.00 0.00 C ATOM 0 H ILE A 125 7.331 1.291 3.177 1.00 0.00 H new ATOM 0 HA ILE A 125 7.970 -1.395 3.530 1.00 0.00 H new ATOM 0 HB ILE A 125 8.294 0.611 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.829 -2.028 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.123 -0.426 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.291 -1.087 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.377 -0.637 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.484 -2.175 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.796 -1.428 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.840 0.009 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.557 -1.618 -0.695 1.00 0.00 H new ATOM 2054 N ASP A 126 10.622 0.550 3.461 1.00 0.00 N ATOM 2055 CA ASP A 126 12.023 0.619 3.839 1.00 0.00 C ATOM 2056 C ASP A 126 12.183 0.132 5.281 1.00 0.00 C ATOM 2057 O ASP A 126 12.974 -0.769 5.552 1.00 0.00 O ATOM 2058 CB ASP A 126 12.545 2.055 3.764 1.00 0.00 C ATOM 2059 CG ASP A 126 13.796 2.334 4.599 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.666 1.437 4.634 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.854 3.437 5.184 1.00 0.00 O ATOM 0 H ASP A 126 10.248 1.406 3.051 1.00 0.00 H new ATOM 0 HA ASP A 126 12.589 -0.006 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.762 2.293 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.753 2.731 4.087 1.00 0.00 H new ATOM 2066 N LYS A 127 11.418 0.752 6.168 1.00 0.00 N ATOM 2067 CA LYS A 127 11.465 0.393 7.576 1.00 0.00 C ATOM 2068 C LYS A 127 11.070 -1.076 7.737 1.00 0.00 C ATOM 2069 O LYS A 127 11.824 -1.866 8.303 1.00 0.00 O ATOM 2070 CB LYS A 127 10.608 1.354 8.402 1.00 0.00 C ATOM 2071 CG LYS A 127 11.339 2.678 8.635 1.00 0.00 C ATOM 2072 CD LYS A 127 11.480 3.464 7.330 1.00 0.00 C ATOM 2073 CE LYS A 127 12.244 4.770 7.556 1.00 0.00 C ATOM 2074 NZ LYS A 127 12.812 4.808 8.922 1.00 0.00 N ATOM 0 H LYS A 127 10.763 1.500 5.940 1.00 0.00 H new ATOM 0 HA LYS A 127 12.479 0.495 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.665 1.540 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.363 0.896 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.793 3.275 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.326 2.484 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.002 2.857 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.492 3.682 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 127 13.043 4.863 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.576 5.619 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 13.342 5.693 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 12.042 4.758 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 13.452 3.999 9.054 1.00 0.00 H new ATOM 2088 N TYR A 128 9.890 -1.398 7.229 1.00 0.00 N ATOM 2089 CA TYR A 128 9.386 -2.758 7.309 1.00 0.00 C ATOM 2090 C TYR A 128 10.240 -3.710 6.469 1.00 0.00 C ATOM 2091 O TYR A 128 11.082 -4.430 7.004 1.00 0.00 O ATOM 2092 CB TYR A 128 7.970 -2.718 6.731 1.00 0.00 C ATOM 2093 CG TYR A 128 7.359 -4.099 6.484 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.828 -5.195 7.180 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.340 -4.249 5.567 1.00 0.00 C ATOM 2096 CE1 TYR A 128 7.253 -6.495 6.948 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.765 -5.549 5.335 1.00 0.00 C ATOM 2098 CZ TYR A 128 6.250 -6.608 6.037 1.00 0.00 C ATOM 2099 OH TYR A 128 5.707 -7.835 5.818 1.00 0.00 O ATOM 0 H TYR A 128 9.268 -0.740 6.760 1.00 0.00 H new ATOM 0 HA TYR A 128 9.407 -3.115 8.339 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.326 -2.164 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.988 -2.167 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.626 -5.078 7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.973 -3.391 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.611 -7.361 7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.967 -5.680 4.620 1.00 0.00 H new ATOM 0 HH TYR A 128 5.877 -8.411 6.592 1.00 0.00 H new ATOM 2109 N ILE A 129 9.994 -3.682 5.167 1.00 0.00 N ATOM 2110 CA ILE A 129 10.730 -4.533 4.248 1.00 0.00 C ATOM 2111 C ILE A 129 10.957 -3.782 2.935 1.00 0.00 C ATOM 2112 O ILE A 129 10.177 -3.919 1.994 1.00 0.00 O ATOM 2113 CB ILE A 129 10.018 -5.876 4.073 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.499 -5.704 4.151 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.531 -6.904 5.083 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.008 -4.692 3.114 1.00 0.00 C ATOM 0 H ILE A 129 9.295 -3.083 4.727 1.00 0.00 H new ATOM 0 HA ILE A 129 11.713 -4.771 4.654 1.00 0.00 H new ATOM 0 HB ILE A 129 10.249 -6.259 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.012 -6.665 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.218 -5.372 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.009 -7.849 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.601 -7.054 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.350 -6.542 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.926 -4.588 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.479 -3.726 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.269 -5.039 2.114 1.00 0.00 H new ATOM 2128 N ILE A 130 12.030 -3.004 2.913 1.00 0.00 N ATOM 2129 CA ILE A 130 12.369 -2.231 1.730 1.00 0.00 C ATOM 2130 C ILE A 130 12.180 -3.101 0.486 1.00 0.00 C ATOM 2131 O ILE A 130 11.982 -4.310 0.594 1.00 0.00 O ATOM 2132 CB ILE A 130 13.775 -1.642 1.861 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.619 -1.957 0.624 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.450 -2.113 3.151 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.547 -3.146 0.882 1.00 0.00 C ATOM 0 H ILE A 130 12.675 -2.893 3.695 1.00 0.00 H new ATOM 0 HA ILE A 130 11.699 -1.378 1.627 1.00 0.00 H new ATOM 0 HB ILE A 130 13.686 -0.557 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 130 13.966 -2.178 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.210 -1.083 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.448 -1.680 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.857 -1.795 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.526 -3.200 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.136 -3.349 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 130 16.215 -2.913 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.952 -4.024 1.132 1.00 0.00 H new ATOM 2147 N GLN A 131 12.248 -2.451 -0.667 1.00 0.00 N ATOM 2148 CA GLN A 131 12.087 -3.150 -1.930 1.00 0.00 C ATOM 2149 C GLN A 131 12.728 -4.537 -1.855 1.00 0.00 C ATOM 2150 O GLN A 131 12.130 -5.525 -2.279 1.00 0.00 O ATOM 2151 CB GLN A 131 12.674 -2.337 -3.086 1.00 0.00 C ATOM 2152 CG GLN A 131 14.020 -1.724 -2.696 1.00 0.00 C ATOM 2153 CD GLN A 131 14.654 -0.994 -3.883 1.00 0.00 C ATOM 2154 OE1 GLN A 131 14.959 0.186 -3.828 1.00 0.00 O ATOM 2155 NE2 GLN A 131 14.835 -1.760 -4.955 1.00 0.00 N ATOM 0 H GLN A 131 12.412 -1.448 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 131 11.021 -3.274 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 131 12.801 -2.978 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.979 -1.547 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.881 -1.028 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.692 -2.507 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.557 -2.741 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 131 15.252 -1.366 -5.799 1.00 0.00 H new ATOM 2164 N ARG A 132 13.936 -4.567 -1.313 1.00 0.00 N ATOM 2165 CA ARG A 132 14.665 -5.817 -1.176 1.00 0.00 C ATOM 2166 C ARG A 132 14.064 -6.662 -0.051 1.00 0.00 C ATOM 2167 O ARG A 132 13.601 -7.776 -0.287 1.00 0.00 O ATOM 2168 CB ARG A 132 16.144 -5.562 -0.880 1.00 0.00 C ATOM 2169 CG ARG A 132 16.541 -6.155 0.474 1.00 0.00 C ATOM 2170 CD ARG A 132 18.032 -6.497 0.506 1.00 0.00 C ATOM 2171 NE ARG A 132 18.799 -5.493 -0.265 1.00 0.00 N ATOM 2172 CZ ARG A 132 20.129 -5.524 -0.424 1.00 0.00 C ATOM 2173 NH1 ARG A 132 20.848 -6.507 0.134 1.00 0.00 N ATOM 2174 NH2 ARG A 132 20.740 -4.570 -1.140 1.00 0.00 N ATOM 0 H ARG A 132 14.429 -3.745 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 132 14.583 -6.354 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.757 -6.000 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.340 -4.490 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.310 -5.445 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 132 15.954 -7.053 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.385 -6.523 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.195 -7.490 0.088 1.00 0.00 H new ATOM 0 HE ARG A 132 18.283 -4.730 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 132 20.383 -7.232 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 132 21.860 -6.530 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 132 20.193 -3.821 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.752 -4.593 -1.261 1.00 0.00 H new ATOM 2188 N LYS A 133 14.091 -6.098 1.148 1.00 0.00 N ATOM 2189 CA LYS A 133 13.555 -6.786 2.310 1.00 0.00 C ATOM 2190 C LYS A 133 12.041 -6.939 2.153 1.00 0.00 C ATOM 2191 O LYS A 133 11.505 -6.764 1.060 1.00 0.00 O ATOM 2192 CB LYS A 133 13.971 -6.069 3.596 1.00 0.00 C ATOM 2193 CG LYS A 133 14.192 -7.068 4.734 1.00 0.00 C ATOM 2194 CD LYS A 133 13.609 -6.542 6.047 1.00 0.00 C ATOM 2195 CE LYS A 133 12.839 -7.639 6.784 1.00 0.00 C ATOM 2196 NZ LYS A 133 13.698 -8.277 7.806 1.00 0.00 N ATOM 0 H LYS A 133 14.476 -5.173 1.340 1.00 0.00 H new ATOM 0 HA LYS A 133 13.971 -7.791 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.886 -5.503 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.202 -5.351 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.727 -8.021 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.259 -7.256 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.412 -6.168 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.946 -5.701 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 133 11.954 -7.215 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.492 -8.388 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.118 -8.551 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.148 -9.123 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.432 -7.606 8.110 1.00 0.00 H new TER 2210 LYS A 133