USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=27 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 79 SER OG : rot -82:sc= -2.01! USER MOD Set 1.2: A 85 HIS : no HD1:sc= -9.15! C(o=-11!,f=-12!) USER MOD Set 2.1: A 19 ASN : amide:sc= -23.1! C(o=-36!,f=-42!) USER MOD Set 2.2: A 73 GLN : amide:sc= -13.3! C(o=-36!,f=-48!) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.133 K(o=-0.13,f=-2) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.0561 (180deg=0.000941) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -2.5 (180deg=-3.57!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.499 USER MOD Single : A 8 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.3!) USER MOD Single : A 10 GLN : amide:sc=-0.00246 X(o=-0.0025,f=-0.41) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -143:sc= -6.9! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.19 USER MOD Single : A 28 GLN : amide:sc= -27.4! C(o=-27!,f=-47!) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= -5.13! (180deg=-11.2!) USER MOD Single : A 30 CYS SG : rot 20:sc= -7.97! USER MOD Single : A 39 SER OG : rot 100:sc= 0.144 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 55 GLN : amide:sc=-0.00472 K(o=-0.0047,f=-3.2!) USER MOD Single : A 57 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -134:sc= -10.3! (180deg=-17.3!) USER MOD Single : A 61 THR OG1 : rot 81:sc= 1.35 USER MOD Single : A 62 SER OG : rot 7:sc= -0.51 USER MOD Single : A 63 CYS SG : rot 63:sc= -2.31 USER MOD Single : A 65 GLN : amide:sc= -0.366 K(o=-0.37,f=-1.9) USER MOD Single : A 69 SER OG : rot 89:sc= -0.391 USER MOD Single : A 71 GLN : amide:sc= -3.79! C(o=-3.8!,f=-7.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -166:sc= -24.2! (180deg=-27!) USER MOD Single : A 95 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.59) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot -97:sc= -3.62! USER MOD Single : A 99 GLN : amide:sc= 0.173 K(o=0.17,f=-9.7!) USER MOD Single : A 104 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.1!) USER MOD Single : A 106 LYS NZ :NH3+ -120:sc= -1.7! (180deg=-2.65!) USER MOD Single : A 115 ASN : amide:sc= -6.73! C(o=-6.7!,f=-6.5!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0.328 K(o=0.33,f=-4.5!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -10.4! C(o=-10!,f=-21!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.213 -14.854 16.497 1.00 0.00 N ATOM 2 CA MET A 1 20.727 -13.493 16.350 1.00 0.00 C ATOM 3 C MET A 1 21.378 -12.805 15.149 1.00 0.00 C ATOM 4 O MET A 1 22.475 -12.259 15.261 1.00 0.00 O ATOM 5 CB MET A 1 21.036 -12.700 17.622 1.00 0.00 C ATOM 6 CG MET A 1 19.883 -12.799 18.623 1.00 0.00 C ATOM 7 SD MET A 1 20.193 -14.120 19.783 1.00 0.00 S ATOM 8 CE MET A 1 19.715 -13.316 21.303 1.00 0.00 C ATOM 0 H1 MET A 1 21.085 -15.164 17.481 1.00 0.00 H new ATOM 0 H2 MET A 1 20.680 -15.483 15.864 1.00 0.00 H new ATOM 0 H3 MET A 1 22.223 -14.890 16.251 1.00 0.00 H new ATOM 0 HA MET A 1 19.650 -13.528 16.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.951 -13.078 18.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.214 -11.655 17.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.771 -11.855 19.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.947 -12.980 18.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.847 -14.006 22.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.337 -12.434 21.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.669 -13.016 21.243 1.00 0.00 H new ATOM 18 N SER A 2 20.675 -12.853 14.027 1.00 0.00 N ATOM 19 CA SER A 2 21.171 -12.241 12.806 1.00 0.00 C ATOM 20 C SER A 2 20.010 -11.634 12.016 1.00 0.00 C ATOM 21 O SER A 2 19.043 -12.325 11.698 1.00 0.00 O ATOM 22 CB SER A 2 21.923 -13.259 11.946 1.00 0.00 C ATOM 23 OG SER A 2 23.207 -12.781 11.554 1.00 0.00 O ATOM 0 H SER A 2 19.766 -13.306 13.938 1.00 0.00 H new ATOM 0 HA SER A 2 21.869 -11.450 13.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.037 -14.190 12.502 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.335 -13.488 11.058 1.00 0.00 H new ATOM 0 HG SER A 2 23.656 -13.460 11.008 1.00 0.00 H new ATOM 29 N PHE A 3 20.144 -10.350 11.721 1.00 0.00 N ATOM 30 CA PHE A 3 19.118 -9.642 10.974 1.00 0.00 C ATOM 31 C PHE A 3 19.577 -8.226 10.619 1.00 0.00 C ATOM 32 O PHE A 3 19.664 -7.361 11.490 1.00 0.00 O ATOM 33 CB PHE A 3 17.887 -9.555 11.878 1.00 0.00 C ATOM 34 CG PHE A 3 18.198 -9.125 13.313 1.00 0.00 C ATOM 35 CD1 PHE A 3 18.553 -10.054 14.240 1.00 0.00 C ATOM 36 CD2 PHE A 3 18.117 -7.813 13.662 1.00 0.00 C ATOM 37 CE1 PHE A 3 18.841 -9.655 15.572 1.00 0.00 C ATOM 38 CE2 PHE A 3 18.406 -7.413 14.994 1.00 0.00 C ATOM 39 CZ PHE A 3 18.762 -8.343 15.921 1.00 0.00 C ATOM 0 H PHE A 3 20.948 -9.781 11.986 1.00 0.00 H new ATOM 0 HA PHE A 3 18.904 -10.169 10.044 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.179 -8.849 11.443 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.395 -10.528 11.899 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.616 -11.096 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.833 -7.075 12.926 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.123 -10.394 16.308 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.343 -6.371 15.271 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.982 -8.039 16.934 1.00 0.00 H new ATOM 49 N TRP A 4 19.859 -8.033 9.339 1.00 0.00 N ATOM 50 CA TRP A 4 20.306 -6.737 8.858 1.00 0.00 C ATOM 51 C TRP A 4 19.069 -5.876 8.600 1.00 0.00 C ATOM 52 O TRP A 4 19.048 -4.694 8.942 1.00 0.00 O ATOM 53 CB TRP A 4 21.198 -6.888 7.624 1.00 0.00 C ATOM 54 CG TRP A 4 22.558 -7.525 7.913 1.00 0.00 C ATOM 55 CD1 TRP A 4 23.505 -7.099 8.761 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.089 -8.727 7.317 1.00 0.00 C ATOM 57 NE1 TRP A 4 24.603 -7.936 8.754 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.342 -8.957 7.848 1.00 0.00 C ATOM 59 CE3 TRP A 4 22.530 -9.592 6.360 1.00 0.00 C ATOM 60 CZ2 TRP A 4 25.141 -10.048 7.485 1.00 0.00 C ATOM 61 CZ3 TRP A 4 23.340 -10.677 6.007 1.00 0.00 C ATOM 62 CH2 TRP A 4 24.604 -10.923 6.533 1.00 0.00 C ATOM 0 H TRP A 4 19.787 -8.753 8.620 1.00 0.00 H new ATOM 0 HA TRP A 4 20.925 -6.241 9.605 1.00 0.00 H new ATOM 0 HB2 TRP A 4 20.675 -7.492 6.883 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.356 -5.905 7.180 1.00 0.00 H new ATOM 0 HD1 TRP A 4 23.420 -6.213 9.372 1.00 0.00 H new ATOM 0 HE1 TRP A 4 25.450 -7.825 9.311 1.00 0.00 H new ATOM 0 HE3 TRP A 4 21.552 -9.432 5.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.119 -10.206 7.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 22.957 -11.372 5.275 1.00 0.00 H new ATOM 0 HH2 TRP A 4 25.168 -11.785 6.209 1.00 0.00 H new ATOM 73 N LYS A 5 18.067 -6.500 7.998 1.00 0.00 N ATOM 74 CA LYS A 5 16.829 -5.805 7.689 1.00 0.00 C ATOM 75 C LYS A 5 15.987 -5.684 8.961 1.00 0.00 C ATOM 76 O LYS A 5 15.001 -4.950 8.989 1.00 0.00 O ATOM 77 CB LYS A 5 16.101 -6.495 6.534 1.00 0.00 C ATOM 78 CG LYS A 5 16.677 -6.059 5.185 1.00 0.00 C ATOM 79 CD LYS A 5 16.645 -4.536 5.042 1.00 0.00 C ATOM 80 CE LYS A 5 15.355 -3.957 5.626 1.00 0.00 C ATOM 81 NZ LYS A 5 14.173 -4.563 4.973 1.00 0.00 N ATOM 0 H LYS A 5 18.087 -7.480 7.716 1.00 0.00 H new ATOM 0 HA LYS A 5 17.036 -4.792 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.188 -7.576 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.038 -6.256 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.703 -6.415 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.106 -6.516 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.506 -4.101 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.726 -4.264 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.320 -4.142 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.340 -2.876 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.328 -4.390 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.039 -4.138 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.320 -5.588 4.872 1.00 0.00 H new ATOM 95 N THR A 6 16.408 -6.415 9.983 1.00 0.00 N ATOM 96 CA THR A 6 15.705 -6.398 11.255 1.00 0.00 C ATOM 97 C THR A 6 14.205 -6.612 11.038 1.00 0.00 C ATOM 98 O THR A 6 13.790 -7.111 9.993 1.00 0.00 O ATOM 99 CB THR A 6 16.035 -5.082 11.960 1.00 0.00 C ATOM 100 OG1 THR A 6 15.463 -5.229 13.257 1.00 0.00 O ATOM 101 CG2 THR A 6 15.288 -3.890 11.357 1.00 0.00 C ATOM 0 H THR A 6 17.227 -7.023 9.956 1.00 0.00 H new ATOM 0 HA THR A 6 16.029 -7.217 11.897 1.00 0.00 H new ATOM 0 HB THR A 6 17.109 -4.902 11.907 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.632 -4.419 13.783 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.559 -2.981 11.895 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.559 -3.784 10.306 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.214 -4.054 11.440 1.00 0.00 H new ATOM 109 N LEU A 7 13.434 -6.224 12.043 1.00 0.00 N ATOM 110 CA LEU A 7 11.989 -6.367 11.975 1.00 0.00 C ATOM 111 C LEU A 7 11.605 -7.803 12.340 1.00 0.00 C ATOM 112 O LEU A 7 12.206 -8.755 11.843 1.00 0.00 O ATOM 113 CB LEU A 7 11.470 -5.920 10.607 1.00 0.00 C ATOM 114 CG LEU A 7 10.328 -4.902 10.623 1.00 0.00 C ATOM 115 CD1 LEU A 7 9.098 -5.470 11.335 1.00 0.00 C ATOM 116 CD2 LEU A 7 10.783 -3.576 11.235 1.00 0.00 C ATOM 0 H LEU A 7 13.782 -5.811 12.908 1.00 0.00 H new ATOM 0 HA LEU A 7 11.507 -5.713 12.702 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.302 -5.494 10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.136 -6.802 10.061 1.00 0.00 H new ATOM 0 HG LEU A 7 10.038 -4.697 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.301 -4.727 11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.759 -6.367 10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.357 -5.721 12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.952 -2.871 11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.116 -3.743 12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.606 -3.168 10.648 1.00 0.00 H new ATOM 128 N GLN A 8 10.607 -7.913 13.204 1.00 0.00 N ATOM 129 CA GLN A 8 10.136 -9.216 13.641 1.00 0.00 C ATOM 130 C GLN A 8 9.972 -10.151 12.441 1.00 0.00 C ATOM 131 O GLN A 8 8.928 -10.154 11.790 1.00 0.00 O ATOM 132 CB GLN A 8 8.827 -9.093 14.423 1.00 0.00 C ATOM 133 CG GLN A 8 8.290 -10.471 14.815 1.00 0.00 C ATOM 134 CD GLN A 8 6.843 -10.647 14.351 1.00 0.00 C ATOM 135 OE1 GLN A 8 6.359 -9.960 13.467 1.00 0.00 O ATOM 136 NE2 GLN A 8 6.181 -11.604 14.997 1.00 0.00 N ATOM 0 H GLN A 8 10.111 -7.121 13.613 1.00 0.00 H new ATOM 0 HA GLN A 8 10.882 -9.644 14.311 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.990 -8.494 15.319 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.086 -8.569 13.819 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.914 -11.248 14.374 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.346 -10.593 15.897 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.647 -12.142 15.728 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.208 -11.799 14.761 1.00 0.00 H new ATOM 145 N ARG A 9 11.019 -10.922 12.184 1.00 0.00 N ATOM 146 CA ARG A 9 11.004 -11.859 11.073 1.00 0.00 C ATOM 147 C ARG A 9 10.834 -11.110 9.749 1.00 0.00 C ATOM 148 O ARG A 9 10.036 -10.179 9.656 1.00 0.00 O ATOM 149 CB ARG A 9 9.870 -12.875 11.225 1.00 0.00 C ATOM 150 CG ARG A 9 10.034 -13.692 12.508 1.00 0.00 C ATOM 151 CD ARG A 9 8.753 -14.460 12.837 1.00 0.00 C ATOM 152 NE ARG A 9 8.743 -15.757 12.125 1.00 0.00 N ATOM 153 CZ ARG A 9 9.546 -16.786 12.427 1.00 0.00 C ATOM 154 NH1 ARG A 9 10.427 -16.676 13.431 1.00 0.00 N ATOM 155 NH2 ARG A 9 9.467 -17.926 11.727 1.00 0.00 N ATOM 0 H ARG A 9 11.883 -10.917 12.726 1.00 0.00 H new ATOM 0 HA ARG A 9 11.956 -12.390 11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.912 -12.356 11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.857 -13.543 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.862 -14.391 12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.287 -13.029 13.335 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.685 -14.626 13.912 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.882 -13.871 12.549 1.00 0.00 H new ATOM 0 HE ARG A 9 8.083 -15.875 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.486 -15.809 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.038 -17.459 13.661 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.795 -18.010 10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.079 -18.709 11.957 1.00 0.00 H new ATOM 169 N GLN A 10 11.599 -11.545 8.759 1.00 0.00 N ATOM 170 CA GLN A 10 11.544 -10.927 7.444 1.00 0.00 C ATOM 171 C GLN A 10 10.482 -11.612 6.581 1.00 0.00 C ATOM 172 O GLN A 10 10.410 -12.839 6.536 1.00 0.00 O ATOM 173 CB GLN A 10 12.913 -10.965 6.763 1.00 0.00 C ATOM 174 CG GLN A 10 13.365 -12.406 6.520 1.00 0.00 C ATOM 175 CD GLN A 10 14.683 -12.697 7.242 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.804 -12.555 8.448 1.00 0.00 O ATOM 177 NE2 GLN A 10 15.660 -13.109 6.440 1.00 0.00 N ATOM 0 H GLN A 10 12.260 -12.317 8.840 1.00 0.00 H new ATOM 0 HA GLN A 10 11.265 -9.880 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.866 -10.430 5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.646 -10.450 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.596 -13.096 6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.487 -12.577 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.491 -13.206 5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.578 -13.328 6.826 1.00 0.00 H new ATOM 186 N PRO A 11 9.664 -10.767 5.899 1.00 0.00 N ATOM 187 CA PRO A 11 8.609 -11.277 5.039 1.00 0.00 C ATOM 188 C PRO A 11 9.185 -11.828 3.733 1.00 0.00 C ATOM 189 O PRO A 11 10.399 -11.975 3.599 1.00 0.00 O ATOM 190 CB PRO A 11 7.672 -10.100 4.825 1.00 0.00 C ATOM 191 CG PRO A 11 8.472 -8.859 5.185 1.00 0.00 C ATOM 192 CD PRO A 11 9.720 -9.308 5.928 1.00 0.00 C ATOM 0 HA PRO A 11 8.075 -12.118 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.329 -10.057 3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.785 -10.188 5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.742 -8.305 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.878 -8.189 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.624 -8.937 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.728 -8.932 6.951 1.00 0.00 H new ATOM 200 N ARG A 12 8.287 -12.119 2.803 1.00 0.00 N ATOM 201 CA ARG A 12 8.691 -12.650 1.513 1.00 0.00 C ATOM 202 C ARG A 12 7.848 -12.031 0.396 1.00 0.00 C ATOM 203 O ARG A 12 8.389 -11.515 -0.581 1.00 0.00 O ATOM 204 CB ARG A 12 8.539 -14.172 1.472 1.00 0.00 C ATOM 205 CG ARG A 12 9.711 -14.820 0.732 1.00 0.00 C ATOM 206 CD ARG A 12 9.968 -16.238 1.247 1.00 0.00 C ATOM 207 NE ARG A 12 10.350 -17.123 0.124 1.00 0.00 N ATOM 208 CZ ARG A 12 9.505 -17.529 -0.833 1.00 0.00 C ATOM 209 NH1 ARG A 12 8.226 -17.133 -0.810 1.00 0.00 N ATOM 210 NH2 ARG A 12 9.940 -18.332 -1.814 1.00 0.00 N ATOM 0 H ARG A 12 7.281 -11.997 2.918 1.00 0.00 H new ATOM 0 HA ARG A 12 9.741 -12.396 1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.485 -14.563 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.603 -14.434 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.499 -14.850 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.608 -14.214 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.760 -16.224 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.074 -16.624 1.737 1.00 0.00 H new ATOM 0 HE ARG A 12 11.317 -17.444 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.895 -16.522 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.583 -17.442 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.914 -18.634 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.297 -18.641 -2.543 1.00 0.00 H new ATOM 224 N THR A 13 6.538 -12.102 0.579 1.00 0.00 N ATOM 225 CA THR A 13 5.615 -11.554 -0.401 1.00 0.00 C ATOM 226 C THR A 13 5.114 -10.180 0.047 1.00 0.00 C ATOM 227 O THR A 13 4.370 -10.074 1.021 1.00 0.00 O ATOM 228 CB THR A 13 4.492 -12.571 -0.613 1.00 0.00 C ATOM 229 OG1 THR A 13 5.134 -13.669 -1.256 1.00 0.00 O ATOM 230 CG2 THR A 13 3.456 -12.095 -1.634 1.00 0.00 C ATOM 0 H THR A 13 6.094 -12.530 1.391 1.00 0.00 H new ATOM 0 HA THR A 13 6.108 -11.388 -1.359 1.00 0.00 H new ATOM 0 HB THR A 13 3.999 -12.770 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.478 -14.376 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.681 -12.853 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.005 -11.165 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.943 -11.927 -2.595 1.00 0.00 H new ATOM 238 N ILE A 14 5.543 -9.161 -0.684 1.00 0.00 N ATOM 239 CA ILE A 14 5.148 -7.798 -0.373 1.00 0.00 C ATOM 240 C ILE A 14 4.030 -7.367 -1.324 1.00 0.00 C ATOM 241 O ILE A 14 4.243 -7.263 -2.532 1.00 0.00 O ATOM 242 CB ILE A 14 6.364 -6.870 -0.392 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.530 -7.478 0.391 1.00 0.00 C ATOM 244 CG2 ILE A 14 5.996 -5.475 0.118 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.029 -8.222 1.630 1.00 0.00 C ATOM 0 H ILE A 14 6.160 -9.253 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 14 4.747 -7.739 0.639 1.00 0.00 H new ATOM 0 HB ILE A 14 6.694 -6.759 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.085 -8.163 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.222 -6.691 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.878 -4.835 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.220 -5.048 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.627 -5.547 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.877 -8.644 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.496 -7.528 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.357 -9.024 1.326 1.00 0.00 H new ATOM 257 N SER A 15 2.863 -7.127 -0.745 1.00 0.00 N ATOM 258 CA SER A 15 1.711 -6.709 -1.526 1.00 0.00 C ATOM 259 C SER A 15 1.567 -5.187 -1.473 1.00 0.00 C ATOM 260 O SER A 15 1.125 -4.637 -0.466 1.00 0.00 O ATOM 261 CB SER A 15 0.431 -7.381 -1.024 1.00 0.00 C ATOM 262 OG SER A 15 -0.503 -7.604 -2.077 1.00 0.00 O ATOM 0 H SER A 15 2.690 -7.214 0.256 1.00 0.00 H new ATOM 0 HA SER A 15 1.869 -7.017 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.681 -8.332 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.029 -6.758 -0.257 1.00 0.00 H new ATOM 0 HG SER A 15 -1.305 -8.036 -1.716 1.00 0.00 H new ATOM 268 N LEU A 16 1.948 -4.550 -2.571 1.00 0.00 N ATOM 269 CA LEU A 16 1.867 -3.102 -2.662 1.00 0.00 C ATOM 270 C LEU A 16 0.677 -2.717 -3.542 1.00 0.00 C ATOM 271 O LEU A 16 0.459 -3.315 -4.595 1.00 0.00 O ATOM 272 CB LEU A 16 3.199 -2.520 -3.140 1.00 0.00 C ATOM 273 CG LEU A 16 4.328 -2.493 -2.108 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.477 -1.100 -1.494 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.122 -3.571 -1.041 1.00 0.00 C ATOM 0 H LEU A 16 2.313 -5.010 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 16 1.690 -2.668 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.536 -3.095 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.025 -1.501 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 16 5.263 -2.721 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.286 -1.109 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.704 -0.379 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.547 -0.818 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.938 -3.530 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.176 -3.399 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.105 -4.553 -1.514 1.00 0.00 H new ATOM 287 N PHE A 17 -0.063 -1.720 -3.078 1.00 0.00 N ATOM 288 CA PHE A 17 -1.226 -1.248 -3.810 1.00 0.00 C ATOM 289 C PHE A 17 -0.923 0.066 -4.533 1.00 0.00 C ATOM 290 O PHE A 17 -0.045 0.820 -4.116 1.00 0.00 O ATOM 291 CB PHE A 17 -2.334 -1.007 -2.783 1.00 0.00 C ATOM 292 CG PHE A 17 -3.435 -2.069 -2.795 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.152 -3.348 -2.429 1.00 0.00 C ATOM 294 CD2 PHE A 17 -4.698 -1.734 -3.173 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.174 -4.333 -2.441 1.00 0.00 C ATOM 296 CE2 PHE A 17 -5.721 -2.719 -3.184 1.00 0.00 C ATOM 297 CZ PHE A 17 -5.437 -3.998 -2.818 1.00 0.00 C ATOM 0 H PHE A 17 0.120 -1.226 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.518 -1.985 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.891 -0.969 -1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.782 -0.031 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.149 -3.614 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.923 -0.719 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.949 -5.349 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.724 -2.453 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.215 -4.747 -2.827 1.00 0.00 H new ATOM 307 N THR A 18 -1.666 0.301 -5.604 1.00 0.00 N ATOM 308 CA THR A 18 -1.488 1.511 -6.389 1.00 0.00 C ATOM 309 C THR A 18 -2.623 2.498 -6.111 1.00 0.00 C ATOM 310 O THR A 18 -3.779 2.099 -5.976 1.00 0.00 O ATOM 311 CB THR A 18 -1.379 1.108 -7.861 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.949 -0.250 -7.818 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.245 1.836 -8.585 1.00 0.00 C ATOM 0 H THR A 18 -2.393 -0.326 -5.947 1.00 0.00 H new ATOM 0 HA THR A 18 -0.572 2.032 -6.112 1.00 0.00 H new ATOM 0 HB THR A 18 -2.323 1.315 -8.365 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.323 -0.418 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.212 1.514 -9.626 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.418 2.911 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.704 1.602 -8.102 1.00 0.00 H new ATOM 321 N ASN A 19 -2.254 3.768 -6.034 1.00 0.00 N ATOM 322 CA ASN A 19 -3.227 4.816 -5.776 1.00 0.00 C ATOM 323 C ASN A 19 -2.769 6.110 -6.453 1.00 0.00 C ATOM 324 O ASN A 19 -2.491 7.102 -5.781 1.00 0.00 O ATOM 325 CB ASN A 19 -3.357 5.089 -4.276 1.00 0.00 C ATOM 326 CG ASN A 19 -2.083 4.682 -3.532 1.00 0.00 C ATOM 327 OD1 ASN A 19 -1.423 3.710 -3.863 1.00 0.00 O ATOM 328 ND2 ASN A 19 -1.775 5.477 -2.511 1.00 0.00 N ATOM 0 H ASN A 19 -1.294 4.095 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.189 4.487 -6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.556 6.148 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.208 4.539 -3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.943 5.289 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.371 6.274 -2.288 1.00 0.00 H new ATOM 335 N ASP A 20 -2.705 6.057 -7.775 1.00 0.00 N ATOM 336 CA ASP A 20 -2.286 7.212 -8.551 1.00 0.00 C ATOM 337 C ASP A 20 -0.943 7.717 -8.021 1.00 0.00 C ATOM 338 O ASP A 20 -0.606 7.492 -6.859 1.00 0.00 O ATOM 339 CB ASP A 20 -3.300 8.352 -8.433 1.00 0.00 C ATOM 340 CG ASP A 20 -2.690 9.744 -8.259 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.997 9.937 -7.237 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.931 10.584 -9.153 1.00 0.00 O ATOM 0 H ASP A 20 -2.936 5.232 -8.329 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.207 6.907 -9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.926 8.355 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.954 8.150 -7.585 1.00 0.00 H new ATOM 347 N ILE A 21 -0.212 8.390 -8.897 1.00 0.00 N ATOM 348 CA ILE A 21 1.087 8.929 -8.532 1.00 0.00 C ATOM 349 C ILE A 21 1.562 9.889 -9.625 1.00 0.00 C ATOM 350 O ILE A 21 1.614 11.099 -9.413 1.00 0.00 O ATOM 351 CB ILE A 21 2.072 7.797 -8.236 1.00 0.00 C ATOM 352 CG1 ILE A 21 1.396 6.431 -8.374 1.00 0.00 C ATOM 353 CG2 ILE A 21 2.721 7.979 -6.863 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.429 5.331 -8.626 1.00 0.00 C ATOM 0 H ILE A 21 -0.495 8.575 -9.859 1.00 0.00 H new ATOM 0 HA ILE A 21 1.015 9.507 -7.610 1.00 0.00 H new ATOM 0 HB ILE A 21 2.870 7.837 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.834 6.206 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.680 6.457 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.417 7.161 -6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.260 8.926 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.949 7.980 -6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.922 4.371 -8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.973 5.546 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.129 5.291 -7.792 1.00 0.00 H new ATOM 366 N ALA A 22 1.896 9.312 -10.769 1.00 0.00 N ATOM 367 CA ALA A 22 2.366 10.101 -11.896 1.00 0.00 C ATOM 368 C ALA A 22 2.019 9.378 -13.199 1.00 0.00 C ATOM 369 O ALA A 22 0.867 9.006 -13.419 1.00 0.00 O ATOM 370 CB ALA A 22 3.867 10.354 -11.752 1.00 0.00 C ATOM 0 H ALA A 22 1.851 8.308 -10.941 1.00 0.00 H new ATOM 0 HA ALA A 22 1.872 11.073 -11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.219 10.946 -12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.057 10.896 -10.826 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.396 9.401 -11.731 1.00 0.00 H new ATOM 376 N SER A 23 3.036 9.200 -14.029 1.00 0.00 N ATOM 377 CA SER A 23 2.853 8.528 -15.304 1.00 0.00 C ATOM 378 C SER A 23 2.228 7.150 -15.084 1.00 0.00 C ATOM 379 O SER A 23 1.007 7.008 -15.103 1.00 0.00 O ATOM 380 CB SER A 23 4.182 8.396 -16.052 1.00 0.00 C ATOM 381 OG SER A 23 4.320 9.381 -17.073 1.00 0.00 O ATOM 0 H SER A 23 3.990 9.510 -13.843 1.00 0.00 H new ATOM 0 HA SER A 23 2.181 9.130 -15.915 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.007 8.488 -15.345 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.252 7.402 -16.495 1.00 0.00 H new ATOM 0 HG SER A 23 5.181 9.264 -17.526 1.00 0.00 H new ATOM 387 N ASN A 24 3.094 6.168 -14.881 1.00 0.00 N ATOM 388 CA ASN A 24 2.642 4.805 -14.658 1.00 0.00 C ATOM 389 C ASN A 24 2.294 4.624 -13.179 1.00 0.00 C ATOM 390 O ASN A 24 3.145 4.236 -12.380 1.00 0.00 O ATOM 391 CB ASN A 24 3.737 3.797 -15.013 1.00 0.00 C ATOM 392 CG ASN A 24 3.884 3.658 -16.529 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.550 4.439 -17.188 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.226 2.623 -17.044 1.00 0.00 N ATOM 0 H ASN A 24 4.107 6.289 -14.866 1.00 0.00 H new ATOM 0 HA ASN A 24 1.772 4.630 -15.291 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.685 4.117 -14.580 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.499 2.827 -14.577 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.261 2.445 -18.048 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.687 2.007 -16.435 1.00 0.00 H new ATOM 401 N ILE A 25 1.041 4.913 -12.859 1.00 0.00 N ATOM 402 CA ILE A 25 0.569 4.786 -11.491 1.00 0.00 C ATOM 403 C ILE A 25 1.098 3.481 -10.893 1.00 0.00 C ATOM 404 O ILE A 25 1.313 3.390 -9.685 1.00 0.00 O ATOM 405 CB ILE A 25 -0.954 4.916 -11.435 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.409 6.274 -11.974 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.475 4.658 -10.020 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.285 7.308 -11.874 1.00 0.00 C ATOM 0 H ILE A 25 0.338 5.235 -13.524 1.00 0.00 H new ATOM 0 HA ILE A 25 0.957 5.599 -10.877 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.385 4.152 -12.081 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.722 6.171 -13.013 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.277 6.620 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.560 4.757 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.199 3.651 -9.709 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.037 5.383 -9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.634 8.264 -12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.009 7.427 -10.831 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.573 6.971 -12.456 1.00 0.00 H new ATOM 420 N LYS A 26 1.292 2.503 -11.765 1.00 0.00 N ATOM 421 CA LYS A 26 1.790 1.207 -11.338 1.00 0.00 C ATOM 422 C LYS A 26 3.298 1.301 -11.093 1.00 0.00 C ATOM 423 O LYS A 26 3.798 0.806 -10.084 1.00 0.00 O ATOM 424 CB LYS A 26 1.398 0.123 -12.345 1.00 0.00 C ATOM 425 CG LYS A 26 2.021 0.396 -13.715 1.00 0.00 C ATOM 426 CD LYS A 26 1.119 -0.115 -14.840 1.00 0.00 C ATOM 427 CE LYS A 26 0.022 0.900 -15.167 1.00 0.00 C ATOM 428 NZ LYS A 26 -1.289 0.224 -15.291 1.00 0.00 N ATOM 0 H LYS A 26 1.113 2.582 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 26 1.330 0.915 -10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.724 -0.851 -11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.313 0.082 -12.437 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.188 1.466 -13.836 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.996 -0.087 -13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.717 -0.309 -15.730 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.667 -1.062 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.025 1.658 -14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.261 1.416 -16.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.022 0.927 -15.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.245 -0.483 -16.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.522 -0.248 -14.394 1.00 0.00 H new ATOM 442 N SER A 27 3.979 1.940 -12.032 1.00 0.00 N ATOM 443 CA SER A 27 5.419 2.105 -11.931 1.00 0.00 C ATOM 444 C SER A 27 5.760 3.004 -10.740 1.00 0.00 C ATOM 445 O SER A 27 6.272 2.531 -9.727 1.00 0.00 O ATOM 446 CB SER A 27 5.999 2.690 -13.220 1.00 0.00 C ATOM 447 OG SER A 27 7.346 2.276 -13.436 1.00 0.00 O ATOM 0 H SER A 27 3.560 2.350 -12.867 1.00 0.00 H new ATOM 0 HA SER A 27 5.866 1.123 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.385 2.382 -14.066 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.957 3.778 -13.175 1.00 0.00 H new ATOM 0 HG SER A 27 7.679 2.669 -14.269 1.00 0.00 H new ATOM 453 N GLN A 28 5.461 4.285 -10.903 1.00 0.00 N ATOM 454 CA GLN A 28 5.730 5.255 -9.854 1.00 0.00 C ATOM 455 C GLN A 28 5.412 4.655 -8.483 1.00 0.00 C ATOM 456 O GLN A 28 6.088 4.954 -7.499 1.00 0.00 O ATOM 457 CB GLN A 28 4.939 6.544 -10.085 1.00 0.00 C ATOM 458 CG GLN A 28 3.638 6.263 -10.838 1.00 0.00 C ATOM 459 CD GLN A 28 3.687 6.843 -12.253 1.00 0.00 C ATOM 460 OE1 GLN A 28 2.688 7.259 -12.816 1.00 0.00 O ATOM 461 NE2 GLN A 28 4.902 6.846 -12.795 1.00 0.00 N ATOM 0 H GLN A 28 5.036 4.673 -11.745 1.00 0.00 H new ATOM 0 HA GLN A 28 6.790 5.508 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.715 7.013 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.546 7.250 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.467 5.188 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.798 6.694 -10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.696 6.482 -12.268 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.039 7.212 -13.737 1.00 0.00 H new ATOM 470 N LYS A 29 4.385 3.819 -8.461 1.00 0.00 N ATOM 471 CA LYS A 29 3.970 3.174 -7.227 1.00 0.00 C ATOM 472 C LYS A 29 5.199 2.604 -6.516 1.00 0.00 C ATOM 473 O LYS A 29 5.794 3.268 -5.669 1.00 0.00 O ATOM 474 CB LYS A 29 2.882 2.135 -7.505 1.00 0.00 C ATOM 475 CG LYS A 29 2.678 1.219 -6.296 1.00 0.00 C ATOM 476 CD LYS A 29 2.397 2.034 -5.032 1.00 0.00 C ATOM 477 CE LYS A 29 1.346 3.114 -5.298 1.00 0.00 C ATOM 478 NZ LYS A 29 1.940 4.462 -5.158 1.00 0.00 N ATOM 0 H LYS A 29 3.827 3.573 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 29 3.519 3.900 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.946 2.639 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.157 1.539 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.848 0.539 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.566 0.604 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.051 1.372 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.319 2.497 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.938 2.993 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.516 3.002 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.333 5.047 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.885 4.382 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.020 4.905 -6.095 1.00 0.00 H new ATOM 492 N CYS A 30 5.543 1.379 -6.888 1.00 0.00 N ATOM 493 CA CYS A 30 6.690 0.712 -6.297 1.00 0.00 C ATOM 494 C CYS A 30 7.899 0.939 -7.207 1.00 0.00 C ATOM 495 O CYS A 30 8.975 1.303 -6.736 1.00 0.00 O ATOM 496 CB CYS A 30 6.421 -0.776 -6.065 1.00 0.00 C ATOM 497 SG CYS A 30 5.363 -0.998 -4.588 1.00 0.00 S ATOM 0 H CYS A 30 5.047 0.832 -7.591 1.00 0.00 H new ATOM 0 HA CYS A 30 6.893 1.135 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.934 -1.207 -6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.363 -1.308 -5.931 1.00 0.00 H new ATOM 0 HG CYS A 30 4.745 0.115 -4.325 1.00 0.00 H new ATOM 503 N LEU A 31 7.681 0.714 -8.494 1.00 0.00 N ATOM 504 CA LEU A 31 8.739 0.889 -9.475 1.00 0.00 C ATOM 505 C LEU A 31 9.600 2.091 -9.080 1.00 0.00 C ATOM 506 O LEU A 31 10.820 2.063 -9.235 1.00 0.00 O ATOM 507 CB LEU A 31 8.152 0.989 -10.884 1.00 0.00 C ATOM 508 CG LEU A 31 7.657 -0.321 -11.499 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.823 -1.274 -11.771 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.582 -0.967 -10.622 1.00 0.00 C ATOM 0 H LEU A 31 6.787 0.412 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 31 9.394 0.018 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.320 1.693 -10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.910 1.413 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 31 7.195 -0.094 -12.460 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.444 -2.198 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.522 -0.805 -12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.335 -1.499 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.247 -1.897 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.996 -1.178 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.736 -0.287 -10.522 1.00 0.00 H new ATOM 522 N GLN A 32 8.931 3.118 -8.577 1.00 0.00 N ATOM 523 CA GLN A 32 9.620 4.327 -8.159 1.00 0.00 C ATOM 524 C GLN A 32 10.269 4.122 -6.789 1.00 0.00 C ATOM 525 O GLN A 32 11.428 4.480 -6.588 1.00 0.00 O ATOM 526 CB GLN A 32 8.665 5.523 -8.140 1.00 0.00 C ATOM 527 CG GLN A 32 8.765 6.325 -9.440 1.00 0.00 C ATOM 528 CD GLN A 32 10.080 7.103 -9.505 1.00 0.00 C ATOM 529 OE1 GLN A 32 10.946 6.842 -10.323 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.181 8.071 -8.598 1.00 0.00 N ATOM 0 H GLN A 32 7.919 3.138 -8.449 1.00 0.00 H new ATOM 0 HA GLN A 32 10.406 4.542 -8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.642 5.174 -8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.899 6.167 -7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.695 5.651 -10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.925 7.017 -9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.418 8.237 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.022 8.648 -8.559 1.00 0.00 H new ATOM 539 N LEU A 33 9.493 3.546 -5.882 1.00 0.00 N ATOM 540 CA LEU A 33 9.977 3.289 -4.537 1.00 0.00 C ATOM 541 C LEU A 33 11.308 2.537 -4.614 1.00 0.00 C ATOM 542 O LEU A 33 12.244 2.848 -3.880 1.00 0.00 O ATOM 543 CB LEU A 33 8.910 2.568 -3.712 1.00 0.00 C ATOM 544 CG LEU A 33 9.349 2.076 -2.331 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.225 3.116 -1.631 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.140 1.679 -1.481 1.00 0.00 C ATOM 0 H LEU A 33 8.532 3.250 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 33 10.170 4.227 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.062 3.241 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.553 1.712 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 33 9.957 1.181 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.523 2.741 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.114 3.307 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.663 4.042 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.479 1.333 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.486 2.542 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.592 0.879 -1.979 1.00 0.00 H new ATOM 558 N LEU A 34 11.348 1.561 -5.509 1.00 0.00 N ATOM 559 CA LEU A 34 12.548 0.762 -5.692 1.00 0.00 C ATOM 560 C LEU A 34 13.555 1.547 -6.535 1.00 0.00 C ATOM 561 O LEU A 34 14.749 1.253 -6.516 1.00 0.00 O ATOM 562 CB LEU A 34 12.196 -0.609 -6.273 1.00 0.00 C ATOM 563 CG LEU A 34 10.759 -1.084 -6.045 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.960 -1.058 -7.350 1.00 0.00 C ATOM 565 CD2 LEU A 34 10.737 -2.465 -5.387 1.00 0.00 C ATOM 0 H LEU A 34 10.569 1.305 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 34 13.023 0.563 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.384 -0.586 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.874 -1.348 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 34 10.275 -0.391 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.943 -1.400 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.934 -0.041 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.434 -1.715 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.704 -2.780 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.245 -3.183 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.246 -2.418 -4.425 1.00 0.00 H new ATOM 577 N LYS A 35 13.035 2.530 -7.256 1.00 0.00 N ATOM 578 CA LYS A 35 13.874 3.359 -8.105 1.00 0.00 C ATOM 579 C LYS A 35 14.918 4.072 -7.243 1.00 0.00 C ATOM 580 O LYS A 35 15.747 4.821 -7.758 1.00 0.00 O ATOM 581 CB LYS A 35 13.015 4.309 -8.942 1.00 0.00 C ATOM 582 CG LYS A 35 13.830 4.923 -10.083 1.00 0.00 C ATOM 583 CD LYS A 35 14.237 6.361 -9.754 1.00 0.00 C ATOM 584 CE LYS A 35 14.188 7.244 -11.002 1.00 0.00 C ATOM 585 NZ LYS A 35 13.682 8.593 -10.664 1.00 0.00 N ATOM 0 H LYS A 35 12.044 2.771 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 35 14.418 2.743 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.161 3.769 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.618 5.101 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.721 4.321 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.244 4.908 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.571 6.766 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.244 6.371 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.184 7.322 -11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.545 6.786 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.655 9.179 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.723 8.515 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.311 9.034 -9.963 1.00 0.00 H new ATOM 599 N GLY A 36 14.843 3.814 -5.945 1.00 0.00 N ATOM 600 CA GLY A 36 15.771 4.422 -5.007 1.00 0.00 C ATOM 601 C GLY A 36 16.961 3.499 -4.737 1.00 0.00 C ATOM 602 O GLY A 36 18.061 3.735 -5.234 1.00 0.00 O ATOM 0 H GLY A 36 14.154 3.192 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.126 5.372 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.257 4.641 -4.071 1.00 0.00 H new ATOM 606 N ASP A 37 16.700 2.466 -3.949 1.00 0.00 N ATOM 607 CA ASP A 37 17.736 1.506 -3.606 1.00 0.00 C ATOM 608 C ASP A 37 17.527 0.226 -4.418 1.00 0.00 C ATOM 609 O ASP A 37 16.752 0.211 -5.373 1.00 0.00 O ATOM 610 CB ASP A 37 17.678 1.139 -2.122 1.00 0.00 C ATOM 611 CG ASP A 37 19.031 0.820 -1.482 1.00 0.00 C ATOM 612 OD1 ASP A 37 19.820 1.775 -1.317 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.245 -0.371 -1.172 1.00 0.00 O ATOM 0 H ASP A 37 15.787 2.273 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 37 18.702 1.959 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.220 1.964 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.023 0.276 -2.002 1.00 0.00 H new ATOM 618 N VAL A 38 18.233 -0.818 -4.009 1.00 0.00 N ATOM 619 CA VAL A 38 18.134 -2.100 -4.686 1.00 0.00 C ATOM 620 C VAL A 38 18.728 -3.191 -3.792 1.00 0.00 C ATOM 621 O VAL A 38 18.618 -3.125 -2.569 1.00 0.00 O ATOM 622 CB VAL A 38 18.806 -2.020 -6.058 1.00 0.00 C ATOM 623 CG1 VAL A 38 20.324 -2.171 -5.935 1.00 0.00 C ATOM 624 CG2 VAL A 38 18.227 -3.065 -7.014 1.00 0.00 C ATOM 0 H VAL A 38 18.876 -0.802 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 38 17.090 -2.358 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 38 18.600 -1.034 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.777 -2.110 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.719 -1.374 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.558 -3.137 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.722 -2.987 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.388 -4.062 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.158 -2.892 -7.138 1.00 0.00 H new ATOM 634 N SER A 39 19.346 -4.169 -4.438 1.00 0.00 N ATOM 635 CA SER A 39 19.957 -5.273 -3.717 1.00 0.00 C ATOM 636 C SER A 39 18.980 -6.447 -3.631 1.00 0.00 C ATOM 637 O SER A 39 18.011 -6.398 -2.875 1.00 0.00 O ATOM 638 CB SER A 39 20.393 -4.841 -2.315 1.00 0.00 C ATOM 639 OG SER A 39 20.965 -3.535 -2.313 1.00 0.00 O ATOM 0 H SER A 39 19.437 -4.220 -5.453 1.00 0.00 H new ATOM 0 HA SER A 39 20.846 -5.588 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.533 -4.861 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 39 21.118 -5.555 -1.925 1.00 0.00 H new ATOM 0 HG SER A 39 20.294 -2.884 -2.018 1.00 0.00 H new ATOM 645 N HIS A 40 19.269 -7.475 -4.415 1.00 0.00 N ATOM 646 CA HIS A 40 18.428 -8.659 -4.437 1.00 0.00 C ATOM 647 C HIS A 40 18.100 -9.082 -3.003 1.00 0.00 C ATOM 648 O HIS A 40 19.001 -9.346 -2.208 1.00 0.00 O ATOM 649 CB HIS A 40 19.085 -9.777 -5.249 1.00 0.00 C ATOM 650 CG HIS A 40 18.565 -9.896 -6.662 1.00 0.00 C ATOM 651 ND1 HIS A 40 18.685 -8.880 -7.593 1.00 0.00 N ATOM 652 CD2 HIS A 40 17.923 -10.922 -7.292 1.00 0.00 C ATOM 653 CE1 HIS A 40 18.136 -9.286 -8.729 1.00 0.00 C ATOM 654 NE2 HIS A 40 17.664 -10.551 -8.539 1.00 0.00 N ATOM 0 H HIS A 40 20.074 -7.512 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 40 17.486 -8.431 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 40 20.161 -9.604 -5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.930 -10.725 -4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 40 17.669 -11.874 -6.850 1.00 0.00 H new ATOM 0 HE1 HIS A 40 18.074 -8.715 -9.644 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.189 -11.119 -9.241 1.00 0.00 H new ATOM 662 N ARG A 41 16.808 -9.134 -2.717 1.00 0.00 N ATOM 663 CA ARG A 41 16.350 -9.521 -1.393 1.00 0.00 C ATOM 664 C ARG A 41 14.973 -10.183 -1.480 1.00 0.00 C ATOM 665 O ARG A 41 14.868 -11.366 -1.798 1.00 0.00 O ATOM 666 CB ARG A 41 16.268 -8.309 -0.463 1.00 0.00 C ATOM 667 CG ARG A 41 17.660 -7.741 -0.178 1.00 0.00 C ATOM 668 CD ARG A 41 18.429 -8.637 0.794 1.00 0.00 C ATOM 669 NE ARG A 41 19.770 -8.944 0.247 1.00 0.00 N ATOM 670 CZ ARG A 41 20.753 -8.043 0.119 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.552 -6.773 0.498 1.00 0.00 N ATOM 672 NH2 ARG A 41 21.937 -8.411 -0.388 1.00 0.00 N ATOM 0 H ARG A 41 16.064 -8.915 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 41 17.072 -10.229 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.643 -7.540 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.790 -8.596 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.217 -7.648 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.569 -6.739 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.526 -8.141 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.876 -9.561 0.964 1.00 0.00 H new ATOM 0 HE ARG A 41 19.957 -9.901 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.650 -6.493 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.301 -6.087 0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 41 22.090 -9.377 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.685 -7.725 -0.485 1.00 0.00 H new ATOM 686 N PHE A 42 13.951 -9.390 -1.192 1.00 0.00 N ATOM 687 CA PHE A 42 12.586 -9.884 -1.234 1.00 0.00 C ATOM 688 C PHE A 42 11.945 -9.610 -2.596 1.00 0.00 C ATOM 689 O PHE A 42 12.545 -8.956 -3.448 1.00 0.00 O ATOM 690 CB PHE A 42 11.804 -9.130 -0.155 1.00 0.00 C ATOM 691 CG PHE A 42 11.430 -7.698 -0.544 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.089 -7.075 -1.558 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.440 -7.049 0.124 1.00 0.00 C ATOM 694 CE1 PHE A 42 11.741 -5.746 -1.919 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.093 -5.720 -0.237 1.00 0.00 C ATOM 696 CZ PHE A 42 10.751 -5.097 -1.251 1.00 0.00 C ATOM 0 H PHE A 42 14.042 -8.409 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 42 12.575 -10.961 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.893 -9.683 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.398 -9.104 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.876 -7.590 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.917 -7.544 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.263 -5.251 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.307 -5.204 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.487 -4.086 -1.526 1.00 0.00 H new ATOM 706 N ASP A 43 10.735 -10.125 -2.759 1.00 0.00 N ATOM 707 CA ASP A 43 10.007 -9.944 -4.003 1.00 0.00 C ATOM 708 C ASP A 43 9.018 -8.787 -3.847 1.00 0.00 C ATOM 709 O ASP A 43 8.142 -8.827 -2.984 1.00 0.00 O ATOM 710 CB ASP A 43 9.211 -11.201 -4.363 1.00 0.00 C ATOM 711 CG ASP A 43 9.767 -12.003 -5.541 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.041 -11.367 -6.582 1.00 0.00 O ATOM 713 OD2 ASP A 43 9.906 -13.234 -5.374 1.00 0.00 O ATOM 0 H ASP A 43 10.241 -10.667 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 43 10.732 -9.738 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.170 -11.850 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.186 -10.910 -4.592 1.00 0.00 H new ATOM 718 N VAL A 44 9.191 -7.784 -4.695 1.00 0.00 N ATOM 719 CA VAL A 44 8.325 -6.618 -4.662 1.00 0.00 C ATOM 720 C VAL A 44 7.102 -6.871 -5.545 1.00 0.00 C ATOM 721 O VAL A 44 7.240 -7.224 -6.716 1.00 0.00 O ATOM 722 CB VAL A 44 9.111 -5.371 -5.072 1.00 0.00 C ATOM 723 CG1 VAL A 44 8.262 -4.109 -4.905 1.00 0.00 C ATOM 724 CG2 VAL A 44 10.417 -5.262 -4.283 1.00 0.00 C ATOM 0 H VAL A 44 9.918 -7.755 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 44 7.963 -6.440 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 44 9.365 -5.467 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.844 -3.237 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.373 -4.183 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.964 -4.007 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.956 -4.367 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.194 -5.200 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.032 -6.141 -4.474 1.00 0.00 H new ATOM 734 N GLU A 45 5.933 -6.681 -4.952 1.00 0.00 N ATOM 735 CA GLU A 45 4.687 -6.885 -5.670 1.00 0.00 C ATOM 736 C GLU A 45 3.977 -5.548 -5.892 1.00 0.00 C ATOM 737 O GLU A 45 3.570 -4.891 -4.935 1.00 0.00 O ATOM 738 CB GLU A 45 3.781 -7.870 -4.929 1.00 0.00 C ATOM 739 CG GLU A 45 3.229 -8.932 -5.882 1.00 0.00 C ATOM 740 CD GLU A 45 2.702 -8.293 -7.168 1.00 0.00 C ATOM 741 OE1 GLU A 45 1.783 -7.454 -7.050 1.00 0.00 O ATOM 742 OE2 GLU A 45 3.229 -8.658 -8.241 1.00 0.00 O ATOM 0 H GLU A 45 5.822 -6.388 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 45 4.919 -7.317 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.341 -8.352 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.956 -7.331 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.012 -9.651 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.428 -9.485 -5.392 1.00 0.00 H new ATOM 749 N ILE A 46 3.850 -5.184 -7.160 1.00 0.00 N ATOM 750 CA ILE A 46 3.197 -3.937 -7.519 1.00 0.00 C ATOM 751 C ILE A 46 1.830 -4.242 -8.134 1.00 0.00 C ATOM 752 O ILE A 46 1.747 -4.761 -9.246 1.00 0.00 O ATOM 753 CB ILE A 46 4.104 -3.098 -8.421 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.570 -3.240 -8.008 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.654 -1.636 -8.443 1.00 0.00 C ATOM 756 CD1 ILE A 46 6.133 -4.595 -8.441 1.00 0.00 C ATOM 0 H ILE A 46 4.188 -5.731 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 46 3.020 -3.330 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 46 4.018 -3.477 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.157 -2.438 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.659 -3.134 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.315 -1.061 -9.091 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.633 -1.575 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.692 -1.228 -7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.177 -4.670 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.559 -5.394 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.065 -4.688 -9.525 1.00 0.00 H new ATOM 768 N ALA A 47 0.791 -3.905 -7.384 1.00 0.00 N ATOM 769 CA ALA A 47 -0.569 -4.136 -7.842 1.00 0.00 C ATOM 770 C ALA A 47 -1.417 -2.895 -7.554 1.00 0.00 C ATOM 771 O ALA A 47 -1.204 -2.212 -6.553 1.00 0.00 O ATOM 772 CB ALA A 47 -1.127 -5.392 -7.171 1.00 0.00 C ATOM 0 H ALA A 47 0.863 -3.474 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.588 -4.306 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.147 -5.565 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.506 -6.249 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.126 -5.258 -6.089 1.00 0.00 H new ATOM 778 N ASN A 48 -2.360 -2.642 -8.449 1.00 0.00 N ATOM 779 CA ASN A 48 -3.241 -1.495 -8.303 1.00 0.00 C ATOM 780 C ASN A 48 -4.691 -1.978 -8.228 1.00 0.00 C ATOM 781 O ASN A 48 -5.194 -2.593 -9.167 1.00 0.00 O ATOM 782 CB ASN A 48 -3.120 -0.551 -9.501 1.00 0.00 C ATOM 783 CG ASN A 48 -3.544 -1.249 -10.795 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.700 -1.239 -11.185 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.548 -1.854 -11.435 1.00 0.00 N ATOM 0 H ASN A 48 -2.534 -3.211 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.955 -0.964 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.741 0.330 -9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.091 -0.203 -9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.729 -2.349 -12.308 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.603 -1.823 -11.053 1.00 0.00 H new ATOM 792 N ARG A 49 -5.322 -1.682 -7.101 1.00 0.00 N ATOM 793 CA ARG A 49 -6.704 -2.078 -6.890 1.00 0.00 C ATOM 794 C ARG A 49 -7.276 -1.375 -5.657 1.00 0.00 C ATOM 795 O ARG A 49 -6.527 -0.846 -4.837 1.00 0.00 O ATOM 796 CB ARG A 49 -6.821 -3.592 -6.705 1.00 0.00 C ATOM 797 CG ARG A 49 -7.993 -4.154 -7.512 1.00 0.00 C ATOM 798 CD ARG A 49 -7.505 -4.806 -8.808 1.00 0.00 C ATOM 799 NE ARG A 49 -8.635 -4.971 -9.749 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.587 -5.725 -10.855 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.465 -6.387 -11.167 1.00 0.00 N ATOM 802 NH2 ARG A 49 -9.661 -5.816 -11.651 1.00 0.00 N ATOM 0 H ARG A 49 -4.901 -1.172 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.271 -1.786 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.895 -4.073 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.958 -3.823 -5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.533 -4.887 -6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.695 -3.354 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.728 -4.192 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.058 -5.776 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.505 -4.480 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.647 -6.317 -10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.429 -6.961 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.515 -5.311 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.624 -6.390 -12.493 1.00 0.00 H new ATOM 816 N PHE A 50 -8.597 -1.392 -5.566 1.00 0.00 N ATOM 817 CA PHE A 50 -9.278 -0.763 -4.447 1.00 0.00 C ATOM 818 C PHE A 50 -9.078 -1.567 -3.161 1.00 0.00 C ATOM 819 O PHE A 50 -9.547 -2.699 -3.053 1.00 0.00 O ATOM 820 CB PHE A 50 -10.769 -0.733 -4.789 1.00 0.00 C ATOM 821 CG PHE A 50 -11.223 -1.884 -5.690 1.00 0.00 C ATOM 822 CD1 PHE A 50 -11.145 -1.760 -7.042 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.705 -3.030 -5.139 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.567 -2.827 -7.879 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.126 -4.097 -5.975 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.048 -3.974 -7.327 1.00 0.00 C ATOM 0 H PHE A 50 -9.214 -1.831 -6.249 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.878 0.238 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.344 -0.761 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.000 0.212 -5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.762 -0.850 -7.479 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.767 -3.128 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.506 -2.728 -8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.509 -5.007 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.368 -4.787 -7.963 1.00 0.00 H new ATOM 836 N PRO A 51 -8.362 -0.934 -2.193 1.00 0.00 N ATOM 837 CA PRO A 51 -8.095 -1.579 -0.918 1.00 0.00 C ATOM 838 C PRO A 51 -9.344 -1.589 -0.036 1.00 0.00 C ATOM 839 O PRO A 51 -9.313 -1.111 1.097 1.00 0.00 O ATOM 840 CB PRO A 51 -6.946 -0.789 -0.312 1.00 0.00 C ATOM 841 CG PRO A 51 -6.921 0.541 -1.046 1.00 0.00 C ATOM 842 CD PRO A 51 -7.791 0.406 -2.285 1.00 0.00 C ATOM 0 HA PRO A 51 -7.826 -2.630 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.095 -0.642 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.001 -1.319 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.293 1.339 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.900 0.805 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.570 1.168 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.204 0.525 -3.196 1.00 0.00 H new ATOM 850 N THR A 52 -10.415 -2.140 -0.589 1.00 0.00 N ATOM 851 CA THR A 52 -11.674 -2.219 0.134 1.00 0.00 C ATOM 852 C THR A 52 -11.487 -2.980 1.448 1.00 0.00 C ATOM 853 O THR A 52 -10.676 -3.902 1.526 1.00 0.00 O ATOM 854 CB THR A 52 -12.712 -2.853 -0.793 1.00 0.00 C ATOM 855 OG1 THR A 52 -12.036 -3.973 -1.357 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.039 -1.969 -1.998 1.00 0.00 C ATOM 0 H THR A 52 -10.437 -2.536 -1.529 1.00 0.00 H new ATOM 0 HA THR A 52 -12.031 -1.229 0.416 1.00 0.00 H new ATOM 0 HB THR A 52 -13.625 -3.053 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.638 -4.443 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.781 -2.466 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.437 -1.015 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.133 -1.795 -2.578 1.00 0.00 H new ATOM 864 N TRP A 53 -12.251 -2.566 2.448 1.00 0.00 N ATOM 865 CA TRP A 53 -12.180 -3.197 3.755 1.00 0.00 C ATOM 866 C TRP A 53 -12.421 -4.697 3.569 1.00 0.00 C ATOM 867 O TRP A 53 -11.997 -5.504 4.395 1.00 0.00 O ATOM 868 CB TRP A 53 -13.164 -2.550 4.731 1.00 0.00 C ATOM 869 CG TRP A 53 -14.626 -2.634 4.288 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.518 -3.595 4.564 1.00 0.00 C ATOM 871 CD2 TRP A 53 -15.334 -1.676 3.472 1.00 0.00 C ATOM 872 NE1 TRP A 53 -16.744 -3.328 3.989 1.00 0.00 N ATOM 873 CE2 TRP A 53 -16.628 -2.124 3.304 1.00 0.00 C ATOM 874 CE3 TRP A 53 -14.895 -0.471 2.896 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -17.590 -1.428 2.561 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -15.867 0.212 2.156 1.00 0.00 C ATOM 877 CH2 TRP A 53 -17.174 -0.225 1.978 1.00 0.00 C ATOM 0 H TRP A 53 -12.922 -1.801 2.380 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.195 -3.055 4.199 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.062 -3.029 5.705 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.894 -1.502 4.862 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -15.304 -4.469 5.161 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -17.581 -3.907 4.055 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -13.887 -0.101 3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -18.598 -1.799 2.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -15.581 1.144 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -17.866 0.361 1.392 1.00 0.00 H new ATOM 888 N ASP A 54 -13.101 -5.024 2.481 1.00 0.00 N ATOM 889 CA ASP A 54 -13.403 -6.412 2.176 1.00 0.00 C ATOM 890 C ASP A 54 -12.145 -7.259 2.373 1.00 0.00 C ATOM 891 O ASP A 54 -12.113 -8.141 3.230 1.00 0.00 O ATOM 892 CB ASP A 54 -13.857 -6.571 0.724 1.00 0.00 C ATOM 893 CG ASP A 54 -15.346 -6.315 0.480 1.00 0.00 C ATOM 894 OD1 ASP A 54 -16.047 -6.049 1.480 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.749 -6.390 -0.701 1.00 0.00 O ATOM 0 H ASP A 54 -13.452 -4.351 1.799 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.203 -6.736 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.280 -5.887 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.619 -7.582 0.393 1.00 0.00 H new ATOM 900 N GLN A 55 -11.137 -6.961 1.566 1.00 0.00 N ATOM 901 CA GLN A 55 -9.879 -7.684 1.641 1.00 0.00 C ATOM 902 C GLN A 55 -8.947 -7.023 2.659 1.00 0.00 C ATOM 903 O GLN A 55 -8.135 -7.697 3.291 1.00 0.00 O ATOM 904 CB GLN A 55 -9.214 -7.772 0.266 1.00 0.00 C ATOM 905 CG GLN A 55 -9.574 -9.085 -0.434 1.00 0.00 C ATOM 906 CD GLN A 55 -10.769 -8.897 -1.370 1.00 0.00 C ATOM 907 OE1 GLN A 55 -11.646 -8.079 -1.144 1.00 0.00 O ATOM 908 NE2 GLN A 55 -10.756 -9.699 -2.431 1.00 0.00 N ATOM 0 H GLN A 55 -11.166 -6.228 0.857 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.086 -8.701 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.529 -6.929 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.132 -7.699 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.716 -9.446 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.807 -9.846 0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.991 -10.362 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.511 -9.651 -3.116 1.00 0.00 H new ATOM 917 N LEU A 56 -9.095 -5.713 2.786 1.00 0.00 N ATOM 918 CA LEU A 56 -8.277 -4.954 3.716 1.00 0.00 C ATOM 919 C LEU A 56 -8.560 -5.429 5.143 1.00 0.00 C ATOM 920 O LEU A 56 -7.723 -5.272 6.031 1.00 0.00 O ATOM 921 CB LEU A 56 -8.490 -3.452 3.515 1.00 0.00 C ATOM 922 CG LEU A 56 -8.321 -2.578 4.759 1.00 0.00 C ATOM 923 CD1 LEU A 56 -8.458 -1.095 4.410 1.00 0.00 C ATOM 924 CD2 LEU A 56 -9.294 -3.000 5.862 1.00 0.00 C ATOM 0 H LEU A 56 -9.770 -5.157 2.260 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.219 -5.131 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.791 -3.105 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.494 -3.297 3.120 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.313 -2.726 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.334 -0.496 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.693 -0.820 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.445 -0.911 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.153 -2.363 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.318 -2.900 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.105 -4.038 6.136 1.00 0.00 H new ATOM 936 N GLN A 57 -9.742 -6.002 5.318 1.00 0.00 N ATOM 937 CA GLN A 57 -10.145 -6.501 6.622 1.00 0.00 C ATOM 938 C GLN A 57 -9.006 -7.298 7.261 1.00 0.00 C ATOM 939 O GLN A 57 -8.653 -7.066 8.416 1.00 0.00 O ATOM 940 CB GLN A 57 -11.415 -7.349 6.515 1.00 0.00 C ATOM 941 CG GLN A 57 -12.504 -6.825 7.454 1.00 0.00 C ATOM 942 CD GLN A 57 -13.020 -7.937 8.369 1.00 0.00 C ATOM 943 OE1 GLN A 57 -12.325 -8.888 8.686 1.00 0.00 O ATOM 944 NE2 GLN A 57 -14.275 -7.765 8.774 1.00 0.00 N ATOM 0 H GLN A 57 -10.433 -6.132 4.579 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.369 -5.648 7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.779 -7.337 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.186 -8.386 6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.107 -6.008 8.057 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.329 -6.418 6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.801 -6.945 8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.712 -8.453 9.388 1.00 0.00 H new ATOM 953 N TYR A 58 -8.462 -8.220 6.481 1.00 0.00 N ATOM 954 CA TYR A 58 -7.370 -9.053 6.957 1.00 0.00 C ATOM 955 C TYR A 58 -6.187 -8.196 7.415 1.00 0.00 C ATOM 956 O TYR A 58 -5.717 -8.334 8.543 1.00 0.00 O ATOM 957 CB TYR A 58 -6.936 -9.902 5.761 1.00 0.00 C ATOM 958 CG TYR A 58 -6.440 -11.300 6.138 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.264 -12.158 6.837 1.00 0.00 C ATOM 960 CD2 TYR A 58 -5.170 -11.703 5.778 1.00 0.00 C ATOM 961 CE1 TYR A 58 -6.798 -13.474 7.192 1.00 0.00 C ATOM 962 CE2 TYR A 58 -4.704 -13.018 6.132 1.00 0.00 C ATOM 963 CZ TYR A 58 -5.541 -13.839 6.822 1.00 0.00 C ATOM 964 OH TYR A 58 -5.101 -15.081 7.157 1.00 0.00 O ATOM 0 H TYR A 58 -8.757 -8.409 5.523 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.690 -9.658 7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.776 -9.999 5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.144 -9.379 5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.258 -11.843 7.118 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.526 -11.031 5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.432 -14.155 7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.712 -13.345 5.856 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.186 -15.204 6.827 1.00 0.00 H new ATOM 974 N MET A 59 -5.741 -7.332 6.516 1.00 0.00 N ATOM 975 CA MET A 59 -4.622 -6.453 6.814 1.00 0.00 C ATOM 976 C MET A 59 -4.987 -5.455 7.915 1.00 0.00 C ATOM 977 O MET A 59 -4.120 -5.008 8.665 1.00 0.00 O ATOM 978 CB MET A 59 -4.218 -5.694 5.549 1.00 0.00 C ATOM 979 CG MET A 59 -3.964 -6.658 4.388 1.00 0.00 C ATOM 980 SD MET A 59 -2.489 -7.612 4.700 1.00 0.00 S ATOM 981 CE MET A 59 -1.548 -7.216 3.236 1.00 0.00 C ATOM 0 H MET A 59 -6.133 -7.221 5.581 1.00 0.00 H new ATOM 0 HA MET A 59 -3.789 -7.062 7.164 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.004 -4.990 5.276 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.319 -5.109 5.743 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.818 -7.324 4.263 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.856 -6.100 3.458 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.124 -8.129 2.818 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.201 -6.749 2.499 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.744 -6.528 3.496 1.00 0.00 H new ATOM 991 N ARG A 60 -6.271 -5.135 7.977 1.00 0.00 N ATOM 992 CA ARG A 60 -6.761 -4.197 8.973 1.00 0.00 C ATOM 993 C ARG A 60 -6.376 -4.666 10.378 1.00 0.00 C ATOM 994 O ARG A 60 -5.969 -3.862 11.214 1.00 0.00 O ATOM 995 CB ARG A 60 -8.282 -4.052 8.891 1.00 0.00 C ATOM 996 CG ARG A 60 -8.933 -4.320 10.250 1.00 0.00 C ATOM 997 CD ARG A 60 -10.432 -4.017 10.209 1.00 0.00 C ATOM 998 NE ARG A 60 -10.768 -2.987 11.217 1.00 0.00 N ATOM 999 CZ ARG A 60 -11.964 -2.392 11.314 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -12.947 -2.722 10.464 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -12.179 -1.468 12.260 1.00 0.00 N ATOM 0 H ARG A 60 -6.987 -5.508 7.354 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.303 -3.229 8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.537 -3.048 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.678 -4.747 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.776 -5.361 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.455 -3.706 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.714 -3.670 9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.001 -4.926 10.403 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.043 -2.713 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.784 -3.426 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.858 -2.269 10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.432 -1.217 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.090 -1.015 12.333 1.00 0.00 H new ATOM 1015 N THR A 61 -6.517 -5.966 10.593 1.00 0.00 N ATOM 1016 CA THR A 61 -6.189 -6.551 11.882 1.00 0.00 C ATOM 1017 C THR A 61 -4.678 -6.502 12.120 1.00 0.00 C ATOM 1018 O THR A 61 -4.231 -6.243 13.236 1.00 0.00 O ATOM 1019 CB THR A 61 -6.764 -7.968 11.918 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.144 -8.223 10.568 1.00 0.00 O ATOM 1021 CG2 THR A 61 -8.079 -8.047 12.696 1.00 0.00 C ATOM 0 H THR A 61 -6.854 -6.630 9.896 1.00 0.00 H new ATOM 0 HA THR A 61 -6.634 -5.983 12.699 1.00 0.00 H new ATOM 0 HB THR A 61 -6.036 -8.644 12.367 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.354 -8.484 10.050 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.444 -9.074 12.691 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.913 -7.726 13.724 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.818 -7.397 12.228 1.00 0.00 H new ATOM 1029 N SER A 62 -3.935 -6.755 11.053 1.00 0.00 N ATOM 1030 CA SER A 62 -2.484 -6.743 11.133 1.00 0.00 C ATOM 1031 C SER A 62 -1.963 -5.314 10.973 1.00 0.00 C ATOM 1032 O SER A 62 -1.083 -5.058 10.152 1.00 0.00 O ATOM 1033 CB SER A 62 -1.867 -7.655 10.070 1.00 0.00 C ATOM 1034 OG SER A 62 -2.238 -7.264 8.751 1.00 0.00 O ATOM 0 H SER A 62 -4.310 -6.969 10.129 1.00 0.00 H new ATOM 0 HA SER A 62 -2.192 -7.122 12.113 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.781 -7.636 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.184 -8.683 10.246 1.00 0.00 H new ATOM 0 HG SER A 62 -2.733 -6.419 8.787 1.00 0.00 H new ATOM 1040 N CYS A 63 -2.528 -4.419 11.771 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.131 -3.022 11.729 1.00 0.00 C ATOM 1042 C CYS A 63 -3.076 -2.227 12.631 1.00 0.00 C ATOM 1043 O CYS A 63 -4.259 -2.548 12.734 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.118 -2.481 10.298 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.398 -2.376 9.684 1.00 0.00 S ATOM 0 H CYS A 63 -3.258 -4.635 12.450 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.109 -2.920 12.095 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.705 -3.131 9.649 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.584 -1.496 10.269 1.00 0.00 H new ATOM 0 HG CYS A 63 0.124 -3.566 9.649 1.00 0.00 H new ATOM 1051 N PRO A 64 -2.504 -1.177 13.280 1.00 0.00 N ATOM 1052 CA PRO A 64 -3.283 -0.333 14.170 1.00 0.00 C ATOM 1053 C PRO A 64 -4.193 0.607 13.378 1.00 0.00 C ATOM 1054 O PRO A 64 -5.310 0.900 13.803 1.00 0.00 O ATOM 1055 CB PRO A 64 -2.255 0.405 15.012 1.00 0.00 C ATOM 1056 CG PRO A 64 -0.942 0.299 14.253 1.00 0.00 C ATOM 1057 CD PRO A 64 -1.107 -0.767 13.182 1.00 0.00 C ATOM 0 HA PRO A 64 -3.962 -0.904 14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.541 1.447 15.154 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.170 -0.040 16.004 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.684 1.257 13.801 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.130 0.037 14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.879 -0.372 12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.435 -1.608 13.353 1.00 0.00 H new ATOM 1065 N GLN A 65 -3.682 1.054 12.240 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.435 1.956 11.385 1.00 0.00 C ATOM 1067 C GLN A 65 -5.292 1.160 10.399 1.00 0.00 C ATOM 1068 O GLN A 65 -6.247 1.689 9.832 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.502 2.919 10.647 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.109 4.095 11.543 1.00 0.00 C ATOM 1071 CD GLN A 65 -1.880 3.754 12.388 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -1.975 3.229 13.485 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -0.724 4.081 11.817 1.00 0.00 N ATOM 0 H GLN A 65 -2.756 0.808 11.890 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.097 2.553 12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.607 2.388 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.994 3.290 9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.901 4.971 10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.943 4.354 12.195 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.716 4.518 10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.154 3.894 12.301 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.920 -0.100 10.224 1.00 0.00 N ATOM 1083 CA GLY A 66 -5.643 -0.975 9.316 1.00 0.00 C ATOM 1084 C GLY A 66 -6.184 -0.193 8.117 1.00 0.00 C ATOM 1085 O GLY A 66 -5.450 0.086 7.171 1.00 0.00 O ATOM 0 H GLY A 66 -4.127 -0.536 10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.983 -1.770 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.467 -1.453 9.845 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.499 0.146 8.198 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.147 0.889 7.131 1.00 0.00 C ATOM 1091 C PRO A 67 -7.730 2.361 7.157 1.00 0.00 C ATOM 1092 O PRO A 67 -7.473 2.955 6.111 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.636 0.690 7.362 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.778 0.234 8.805 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.399 -0.168 9.304 1.00 0.00 C ATOM 0 HA PRO A 67 -7.860 0.538 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.185 1.616 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.041 -0.054 6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.188 1.035 9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.469 -0.606 8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.127 0.383 10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.362 -1.228 9.556 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.676 2.907 8.363 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.294 4.298 8.538 1.00 0.00 C ATOM 1105 C VAL A 68 -6.057 4.594 7.688 1.00 0.00 C ATOM 1106 O VAL A 68 -5.948 5.668 7.098 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.085 4.600 10.024 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -6.247 5.866 10.213 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -8.425 4.715 10.754 1.00 0.00 C ATOM 0 H VAL A 68 -7.890 2.411 9.228 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.090 4.959 8.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.536 3.766 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.113 6.058 11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.273 5.731 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.757 6.712 9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.248 4.930 11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.012 5.521 10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.971 3.776 10.662 1.00 0.00 H new ATOM 1119 N SER A 69 -5.157 3.623 7.652 1.00 0.00 N ATOM 1120 CA SER A 69 -3.932 3.766 6.884 1.00 0.00 C ATOM 1121 C SER A 69 -4.263 3.970 5.404 1.00 0.00 C ATOM 1122 O SER A 69 -3.642 4.793 4.733 1.00 0.00 O ATOM 1123 CB SER A 69 -3.024 2.547 7.062 1.00 0.00 C ATOM 1124 OG SER A 69 -3.456 1.712 8.133 1.00 0.00 O ATOM 0 H SER A 69 -5.252 2.734 8.142 1.00 0.00 H new ATOM 0 HA SER A 69 -3.397 4.640 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.006 1.970 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.003 2.880 7.250 1.00 0.00 H new ATOM 0 HG SER A 69 -4.102 1.056 7.796 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.241 3.207 4.939 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.662 3.293 3.551 1.00 0.00 C ATOM 1132 C LEU A 70 -6.437 4.595 3.338 1.00 0.00 C ATOM 1133 O LEU A 70 -6.088 5.394 2.471 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.441 2.040 3.149 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.642 0.736 3.108 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -4.320 0.926 2.361 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.428 0.180 4.518 1.00 0.00 C ATOM 0 H LEU A 70 -5.754 2.526 5.499 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.795 3.326 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.270 1.913 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.876 2.207 2.163 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.222 -0.003 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.772 -0.016 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.522 1.244 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.723 1.686 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.858 -0.747 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.879 0.907 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.394 -0.017 4.982 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.474 4.767 4.144 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.302 5.958 4.054 1.00 0.00 C ATOM 1151 C GLN A 71 -7.429 7.214 4.085 1.00 0.00 C ATOM 1152 O GLN A 71 -7.766 8.223 3.467 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.344 5.987 5.174 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.954 4.600 5.392 1.00 0.00 C ATOM 1155 CD GLN A 71 -10.091 3.848 4.067 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -9.252 3.047 3.688 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.193 4.148 3.385 1.00 0.00 N ATOM 0 H GLN A 71 -7.760 4.102 4.862 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.837 5.934 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.881 6.334 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.131 6.699 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.329 4.027 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.933 4.699 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.855 4.828 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.376 3.698 2.488 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.325 7.112 4.810 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.402 8.227 4.929 1.00 0.00 C ATOM 1168 C ARG A 72 -4.529 8.329 3.677 1.00 0.00 C ATOM 1169 O ARG A 72 -3.966 9.386 3.393 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.503 8.070 6.158 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.318 8.169 7.449 1.00 0.00 C ATOM 1172 CD ARG A 72 -5.042 9.489 8.171 1.00 0.00 C ATOM 1173 NE ARG A 72 -4.718 9.231 9.592 1.00 0.00 N ATOM 1174 CZ ARG A 72 -5.636 9.076 10.556 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -6.940 9.152 10.257 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.250 8.845 11.818 1.00 0.00 N ATOM 0 H ARG A 72 -6.049 6.274 5.321 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.993 9.136 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.992 7.108 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.732 8.841 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.381 8.091 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.071 7.333 8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.214 10.010 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.913 10.141 8.101 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.734 9.167 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.233 9.328 9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.639 9.034 10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.257 8.787 12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.949 8.727 12.552 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.442 7.217 2.962 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.647 7.168 1.747 1.00 0.00 C ATOM 1192 C GLN A 73 -4.284 8.037 0.661 1.00 0.00 C ATOM 1193 O GLN A 73 -3.582 8.727 -0.077 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.472 5.727 1.264 1.00 0.00 C ATOM 1195 CG GLN A 73 -4.567 5.347 0.265 1.00 0.00 C ATOM 1196 CD GLN A 73 -4.301 5.973 -1.105 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -3.355 6.717 -1.303 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -5.186 5.631 -2.037 1.00 0.00 N ATOM 0 H GLN A 73 -4.909 6.342 3.201 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.656 7.565 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.494 5.612 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.501 5.048 2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.617 4.262 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.536 5.679 0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.955 5.003 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.095 5.997 -2.985 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.606 7.975 0.597 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.344 8.748 -0.387 1.00 0.00 C ATOM 1209 C ILE A 74 -6.498 10.186 0.112 1.00 0.00 C ATOM 1210 O ILE A 74 -6.316 10.459 1.297 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.674 8.066 -0.715 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.797 7.799 -2.217 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.854 8.878 -0.179 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -9.241 7.978 -2.689 1.00 0.00 C ATOM 0 H ILE A 74 -6.185 7.401 1.211 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.794 8.793 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.695 7.099 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.144 8.478 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.461 6.786 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.787 8.371 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.768 8.973 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.849 9.869 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -9.301 7.782 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.887 7.280 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.566 8.999 -2.488 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.840 11.092 -0.843 1.00 0.00 N ATOM 1227 CA PRO A 75 -7.020 12.496 -0.513 1.00 0.00 C ATOM 1228 C PRO A 75 -8.343 12.721 0.223 1.00 0.00 C ATOM 1229 O PRO A 75 -9.340 12.062 -0.069 1.00 0.00 O ATOM 1230 CB PRO A 75 -6.951 13.225 -1.845 1.00 0.00 C ATOM 1231 CG PRO A 75 -7.199 12.171 -2.911 1.00 0.00 C ATOM 1232 CD PRO A 75 -7.064 10.805 -2.257 1.00 0.00 C ATOM 0 HA PRO A 75 -6.257 12.869 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.699 14.016 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.978 13.697 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.193 12.291 -3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.483 12.276 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.963 10.206 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.234 10.242 -2.683 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.308 13.653 1.164 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.491 13.973 1.944 1.00 0.00 C ATOM 1242 C LYS A 76 -9.846 12.782 2.836 1.00 0.00 C ATOM 1243 O LYS A 76 -10.957 12.258 2.766 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.634 14.416 1.027 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.224 15.749 1.492 1.00 0.00 C ATOM 1246 CD LYS A 76 -12.709 15.845 1.136 1.00 0.00 C ATOM 1247 CE LYS A 76 -12.946 16.904 0.058 1.00 0.00 C ATOM 1248 NZ LYS A 76 -12.869 18.263 0.639 1.00 0.00 N ATOM 0 H LYS A 76 -7.479 14.197 1.404 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.295 14.819 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.268 14.513 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.413 13.653 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.097 15.851 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.681 16.573 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.066 14.877 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.285 16.093 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.204 16.798 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.924 16.753 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.032 18.969 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.593 18.366 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.927 18.410 1.055 1.00 0.00 H new ATOM 1262 N LEU A 77 -8.881 12.389 3.655 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.077 11.270 4.561 1.00 0.00 C ATOM 1264 C LEU A 77 -10.426 11.422 5.267 1.00 0.00 C ATOM 1265 O LEU A 77 -11.308 10.578 5.117 1.00 0.00 O ATOM 1266 CB LEU A 77 -7.892 11.141 5.519 1.00 0.00 C ATOM 1267 CG LEU A 77 -6.620 11.890 5.116 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -5.529 11.728 6.177 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.141 11.452 3.730 1.00 0.00 C ATOM 0 H LEU A 77 -7.961 12.826 3.710 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.111 10.332 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.204 11.497 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.649 10.084 5.625 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.855 12.953 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.636 12.270 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.883 12.127 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.290 10.671 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.236 12.000 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.928 10.383 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.917 11.661 2.994 1.00 0.00 H new ATOM 1281 N ASP A 78 -10.543 12.503 6.024 1.00 0.00 N ATOM 1282 CA ASP A 78 -11.769 12.776 6.754 1.00 0.00 C ATOM 1283 C ASP A 78 -12.970 12.429 5.874 1.00 0.00 C ATOM 1284 O ASP A 78 -14.035 12.079 6.380 1.00 0.00 O ATOM 1285 CB ASP A 78 -11.869 14.256 7.129 1.00 0.00 C ATOM 1286 CG ASP A 78 -11.690 15.231 5.963 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -10.519 15.547 5.662 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -12.729 15.639 5.400 1.00 0.00 O ATOM 0 H ASP A 78 -9.809 13.200 6.148 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.761 12.174 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.842 14.435 7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.116 14.476 7.886 1.00 0.00 H new ATOM 1293 N SER A 79 -12.759 12.538 4.570 1.00 0.00 N ATOM 1294 CA SER A 79 -13.812 12.239 3.614 1.00 0.00 C ATOM 1295 C SER A 79 -13.959 10.725 3.453 1.00 0.00 C ATOM 1296 O SER A 79 -15.012 10.164 3.752 1.00 0.00 O ATOM 1297 CB SER A 79 -13.528 12.892 2.260 1.00 0.00 C ATOM 1298 OG SER A 79 -12.882 11.995 1.360 1.00 0.00 O ATOM 0 H SER A 79 -11.875 12.829 4.153 1.00 0.00 H new ATOM 0 HA SER A 79 -14.747 12.649 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.464 13.236 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.902 13.772 2.406 1.00 0.00 H new ATOM 0 HG SER A 79 -11.920 11.983 1.545 1.00 0.00 H new ATOM 1304 N VAL A 80 -12.887 10.105 2.980 1.00 0.00 N ATOM 1305 CA VAL A 80 -12.884 8.667 2.776 1.00 0.00 C ATOM 1306 C VAL A 80 -12.750 7.964 4.128 1.00 0.00 C ATOM 1307 O VAL A 80 -13.287 6.874 4.321 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.779 8.281 1.790 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.403 8.688 2.323 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.824 6.785 1.473 1.00 0.00 C ATOM 0 H VAL A 80 -12.015 10.573 2.732 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.826 8.343 2.333 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.953 8.825 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.635 8.403 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.376 9.767 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.217 8.184 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.028 6.538 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.687 6.214 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.789 6.536 1.031 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.033 8.617 5.030 1.00 0.00 N ATOM 1321 CA LEU A 81 -11.822 8.069 6.359 1.00 0.00 C ATOM 1322 C LEU A 81 -13.176 7.871 7.045 1.00 0.00 C ATOM 1323 O LEU A 81 -13.264 7.194 8.068 1.00 0.00 O ATOM 1324 CB LEU A 81 -10.853 8.946 7.154 1.00 0.00 C ATOM 1325 CG LEU A 81 -10.755 8.650 8.652 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.041 9.053 9.376 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.393 7.184 8.899 1.00 0.00 C ATOM 0 H LEU A 81 -11.590 9.521 4.867 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.349 7.089 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.859 8.843 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.150 9.987 7.028 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.949 9.255 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.945 8.832 10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.215 10.121 9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.881 8.494 8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.330 7.001 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.160 6.542 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.431 6.964 8.436 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.197 8.474 6.453 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.541 8.372 6.994 1.00 0.00 C ATOM 1341 C LYS A 82 -16.428 7.612 6.005 1.00 0.00 C ATOM 1342 O LYS A 82 -16.342 6.390 5.901 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.077 9.757 7.361 1.00 0.00 C ATOM 1344 CG LYS A 82 -17.413 9.651 8.099 1.00 0.00 C ATOM 1345 CD LYS A 82 -17.241 8.948 9.447 1.00 0.00 C ATOM 1346 CE LYS A 82 -17.575 9.891 10.604 1.00 0.00 C ATOM 1347 NZ LYS A 82 -16.430 9.993 11.537 1.00 0.00 N ATOM 0 H LYS A 82 -14.120 9.035 5.604 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.536 7.801 7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.352 10.277 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.203 10.353 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.826 10.647 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.128 9.101 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.888 8.072 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.216 8.592 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.824 10.878 10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.454 9.526 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.674 10.637 12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.210 9.052 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.601 10.362 11.030 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.260 8.369 5.304 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.162 7.782 4.327 1.00 0.00 C ATOM 1363 C TYR A 83 -18.174 8.598 3.033 1.00 0.00 C ATOM 1364 O TYR A 83 -18.933 8.297 2.113 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.555 7.828 4.958 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.266 6.473 4.997 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.585 5.828 3.820 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -20.588 5.897 6.209 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -21.254 4.553 3.856 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -21.257 4.623 6.245 1.00 0.00 C ATOM 1371 CZ TYR A 83 -21.557 4.014 5.067 1.00 0.00 C ATOM 1372 OH TYR A 83 -22.189 2.810 5.101 1.00 0.00 O ATOM 0 H TYR A 83 -17.328 9.383 5.393 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.850 6.768 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.470 8.211 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.171 8.534 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -20.333 6.279 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -20.338 6.402 7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -21.509 4.037 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -21.515 4.161 7.187 1.00 0.00 H new ATOM 0 HH TYR A 83 -22.341 2.547 6.033 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.325 9.614 3.003 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.228 10.475 1.837 1.00 0.00 C ATOM 1384 C LYS A 84 -16.783 9.645 0.631 1.00 0.00 C ATOM 1385 O LYS A 84 -17.209 8.503 0.467 1.00 0.00 O ATOM 1386 CB LYS A 84 -16.321 11.672 2.129 1.00 0.00 C ATOM 1387 CG LYS A 84 -16.852 12.939 1.455 1.00 0.00 C ATOM 1388 CD LYS A 84 -16.631 14.166 2.343 1.00 0.00 C ATOM 1389 CE LYS A 84 -15.831 15.240 1.603 1.00 0.00 C ATOM 1390 NZ LYS A 84 -16.742 16.184 0.918 1.00 0.00 N ATOM 0 H LYS A 84 -16.697 9.861 3.768 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.203 10.896 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.255 11.829 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.312 11.463 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.351 13.083 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.915 12.825 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.593 14.573 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.102 13.873 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.199 15.781 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.168 14.772 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.183 16.907 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.327 15.666 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.357 16.644 1.619 1.00 0.00 H new ATOM 1404 N HIS A 85 -15.931 10.252 -0.182 1.00 0.00 N ATOM 1405 CA HIS A 85 -15.423 9.584 -1.368 1.00 0.00 C ATOM 1406 C HIS A 85 -15.354 8.076 -1.117 1.00 0.00 C ATOM 1407 O HIS A 85 -15.529 7.281 -2.040 1.00 0.00 O ATOM 1408 CB HIS A 85 -14.077 10.176 -1.792 1.00 0.00 C ATOM 1409 CG HIS A 85 -13.983 11.673 -1.614 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -12.798 12.317 -1.302 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -14.936 12.644 -1.710 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -13.040 13.617 -1.214 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -14.365 13.817 -1.467 1.00 0.00 N ATOM 0 H HIS A 85 -15.580 11.199 -0.043 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.105 9.749 -2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.284 9.701 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -13.898 9.933 -2.839 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -15.978 12.485 -1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.315 14.383 -0.983 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -14.839 14.720 -1.469 1.00 0.00 H new ATOM 1421 N THR A 86 -15.098 7.728 0.135 1.00 0.00 N ATOM 1422 CA THR A 86 -15.004 6.329 0.519 1.00 0.00 C ATOM 1423 C THR A 86 -16.203 5.546 -0.020 1.00 0.00 C ATOM 1424 O THR A 86 -16.089 4.359 -0.321 1.00 0.00 O ATOM 1425 CB THR A 86 -14.871 6.265 2.042 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.185 4.912 2.361 1.00 0.00 O ATOM 1427 CG2 THR A 86 -15.951 7.077 2.759 1.00 0.00 C ATOM 0 H THR A 86 -14.953 8.390 0.897 1.00 0.00 H new ATOM 0 HA THR A 86 -14.125 5.857 0.081 1.00 0.00 H new ATOM 0 HB THR A 86 -13.887 6.631 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.122 4.781 3.330 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.810 6.997 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.879 8.123 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.934 6.690 2.492 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.325 6.243 -0.126 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.544 5.628 -0.623 1.00 0.00 C ATOM 1437 C ASP A 87 -18.204 4.711 -1.800 1.00 0.00 C ATOM 1438 O ASP A 87 -17.062 4.277 -1.943 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.532 6.686 -1.118 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.950 6.558 -0.560 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.100 5.833 0.447 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.853 7.188 -1.152 1.00 0.00 O ATOM 0 H ASP A 87 -17.415 7.228 0.124 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.996 5.067 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.144 7.672 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.580 6.636 -2.206 1.00 0.00 H new ATOM 1447 N PRO A 88 -19.243 4.437 -2.634 1.00 0.00 N ATOM 1448 CA PRO A 88 -19.065 3.579 -3.793 1.00 0.00 C ATOM 1449 C PRO A 88 -18.319 4.313 -4.909 1.00 0.00 C ATOM 1450 O PRO A 88 -18.473 3.986 -6.084 1.00 0.00 O ATOM 1451 CB PRO A 88 -20.471 3.163 -4.193 1.00 0.00 C ATOM 1452 CG PRO A 88 -21.406 4.167 -3.537 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.608 4.934 -2.495 1.00 0.00 C ATOM 0 HA PRO A 88 -18.450 2.705 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.587 3.171 -5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.689 2.149 -3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.817 4.849 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.249 3.656 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.658 6.009 -2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.994 4.756 -1.491 1.00 0.00 H new ATOM 1461 N THR A 89 -17.525 5.293 -4.501 1.00 0.00 N ATOM 1462 CA THR A 89 -16.754 6.076 -5.452 1.00 0.00 C ATOM 1463 C THR A 89 -15.342 5.503 -5.593 1.00 0.00 C ATOM 1464 O THR A 89 -14.835 5.360 -6.705 1.00 0.00 O ATOM 1465 CB THR A 89 -16.775 7.534 -4.989 1.00 0.00 C ATOM 1466 OG1 THR A 89 -17.026 8.273 -6.182 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.399 8.023 -4.532 1.00 0.00 C ATOM 0 H THR A 89 -17.399 5.562 -3.525 1.00 0.00 H new ATOM 0 HA THR A 89 -17.191 6.030 -6.450 1.00 0.00 H new ATOM 0 HB THR A 89 -17.490 7.646 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 89 -17.058 9.230 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.470 9.063 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 89 -15.054 7.411 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.692 7.943 -5.358 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.747 5.192 -4.451 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.403 4.639 -4.434 1.00 0.00 C ATOM 1477 C PHE A 90 -13.429 3.148 -4.088 1.00 0.00 C ATOM 1478 O PHE A 90 -12.552 2.395 -4.509 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.625 5.388 -3.351 1.00 0.00 C ATOM 1480 CG PHE A 90 -12.022 6.713 -3.822 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -11.216 6.743 -4.917 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -12.293 7.862 -3.145 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.657 7.972 -5.354 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.733 9.091 -3.582 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.927 9.121 -4.677 1.00 0.00 C ATOM 0 H PHE A 90 -15.171 5.312 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.942 4.749 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.290 5.582 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.824 4.746 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -11.001 5.831 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.934 7.839 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.017 7.995 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.947 10.003 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.501 10.056 -5.009 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.443 2.768 -3.326 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.594 1.381 -2.919 1.00 0.00 C ATOM 1497 C GLY A 91 -14.374 0.436 -4.102 1.00 0.00 C ATOM 1498 O GLY A 91 -13.236 0.165 -4.481 1.00 0.00 O ATOM 0 H GLY A 91 -15.168 3.396 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.881 1.151 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.590 1.226 -2.505 1.00 0.00 H new ATOM 1502 N MET A 92 -15.482 -0.041 -4.651 1.00 0.00 N ATOM 1503 CA MET A 92 -15.424 -0.951 -5.783 1.00 0.00 C ATOM 1504 C MET A 92 -14.276 -0.582 -6.725 1.00 0.00 C ATOM 1505 O MET A 92 -13.514 -1.449 -7.150 1.00 0.00 O ATOM 1506 CB MET A 92 -16.748 -0.899 -6.548 1.00 0.00 C ATOM 1507 CG MET A 92 -17.108 0.539 -6.924 1.00 0.00 C ATOM 1508 SD MET A 92 -17.832 1.375 -5.523 1.00 0.00 S ATOM 1509 CE MET A 92 -16.530 2.537 -5.148 1.00 0.00 C ATOM 0 H MET A 92 -16.424 0.185 -4.333 1.00 0.00 H new ATOM 0 HA MET A 92 -15.251 -1.959 -5.406 1.00 0.00 H new ATOM 0 HB2 MET A 92 -16.675 -1.507 -7.450 1.00 0.00 H new ATOM 0 HB3 MET A 92 -17.542 -1.329 -5.937 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.216 1.071 -7.254 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.808 0.541 -7.760 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.700 2.967 -4.161 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.569 2.023 -5.160 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.525 3.332 -5.894 1.00 0.00 H new ATOM 1519 N ASP A 93 -14.188 0.706 -7.023 1.00 0.00 N ATOM 1520 CA ASP A 93 -13.146 1.200 -7.907 1.00 0.00 C ATOM 1521 C ASP A 93 -12.424 2.370 -7.234 1.00 0.00 C ATOM 1522 O ASP A 93 -12.939 3.486 -7.203 1.00 0.00 O ATOM 1523 CB ASP A 93 -13.735 1.704 -9.226 1.00 0.00 C ATOM 1524 CG ASP A 93 -15.058 1.053 -9.633 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -15.083 -0.196 -9.686 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -16.014 1.819 -9.884 1.00 0.00 O ATOM 0 H ASP A 93 -14.821 1.422 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.459 0.378 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.885 2.781 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.006 1.538 -10.019 1.00 0.00 H new ATOM 1531 N LEU A 94 -11.244 2.073 -6.711 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.447 3.086 -6.040 1.00 0.00 C ATOM 1533 C LEU A 94 -9.475 3.711 -7.043 1.00 0.00 C ATOM 1534 O LEU A 94 -9.362 4.933 -7.124 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.762 2.498 -4.805 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.235 2.596 -4.774 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.602 1.609 -5.757 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.773 4.033 -5.026 1.00 0.00 C ATOM 0 H LEU A 94 -10.820 1.146 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.085 3.889 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.156 3.000 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.040 1.447 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.895 2.319 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.517 1.699 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.892 0.593 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.946 1.831 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.684 4.075 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.125 4.362 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.181 4.687 -4.255 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.799 2.844 -7.782 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.840 3.296 -8.777 1.00 0.00 C ATOM 1552 C GLN A 95 -8.561 4.012 -9.921 1.00 0.00 C ATOM 1553 O GLN A 95 -7.971 4.849 -10.603 1.00 0.00 O ATOM 1554 CB GLN A 95 -7.004 2.128 -9.302 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.546 2.546 -9.507 1.00 0.00 C ATOM 1556 CD GLN A 95 -5.170 2.513 -10.990 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -5.955 2.841 -11.864 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -3.927 2.100 -11.223 1.00 0.00 N ATOM 0 H GLN A 95 -8.896 1.831 -7.712 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.159 4.003 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.052 1.297 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.420 1.773 -10.245 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.393 3.550 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.890 1.879 -8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.322 1.840 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.579 2.043 -12.180 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.825 3.658 -10.095 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.632 4.257 -11.145 1.00 0.00 C ATOM 1569 C LYS A 96 -10.917 5.718 -10.792 1.00 0.00 C ATOM 1570 O LYS A 96 -11.073 6.556 -11.679 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.893 3.426 -11.391 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.536 2.000 -11.814 1.00 0.00 C ATOM 1573 CD LYS A 96 -10.347 1.995 -12.777 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.600 2.924 -13.966 1.00 0.00 C ATOM 1575 NZ LYS A 96 -10.544 2.167 -15.236 1.00 0.00 N ATOM 0 H LYS A 96 -10.311 2.964 -9.527 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.089 4.257 -12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.498 3.400 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.499 3.898 -12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.297 1.404 -10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.397 1.532 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.446 2.310 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.169 0.981 -13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.575 3.400 -13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.856 3.721 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.718 2.812 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.605 1.733 -15.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.270 1.423 -15.229 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.978 5.979 -9.495 1.00 0.00 N ATOM 1590 CA CYS A 97 -11.242 7.325 -9.014 1.00 0.00 C ATOM 1591 C CYS A 97 -9.907 7.971 -8.637 1.00 0.00 C ATOM 1592 O CYS A 97 -9.721 9.173 -8.821 1.00 0.00 O ATOM 1593 CB CYS A 97 -12.226 7.324 -7.842 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.585 9.042 -7.325 1.00 0.00 S ATOM 0 H CYS A 97 -10.849 5.282 -8.762 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.718 7.909 -9.802 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.149 6.822 -8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.808 6.764 -7.006 1.00 0.00 H new ATOM 0 HG CYS A 97 -11.831 9.358 -6.314 1.00 0.00 H new ATOM 1600 N VAL A 98 -9.012 7.144 -8.116 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.700 7.620 -7.712 1.00 0.00 C ATOM 1602 C VAL A 98 -6.798 7.724 -8.943 1.00 0.00 C ATOM 1603 O VAL A 98 -5.862 8.522 -8.966 1.00 0.00 O ATOM 1604 CB VAL A 98 -7.125 6.708 -6.625 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -5.603 6.843 -6.545 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -7.773 6.995 -5.269 1.00 0.00 C ATOM 0 H VAL A 98 -9.170 6.148 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.773 8.617 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.356 5.678 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.220 6.185 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.162 6.566 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.341 7.875 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.347 6.334 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.587 8.032 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.847 6.824 -5.336 1.00 0.00 H new ATOM 1616 N GLN A 99 -7.112 6.907 -9.938 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.342 6.898 -11.170 1.00 0.00 C ATOM 1618 C GLN A 99 -5.812 8.300 -11.476 1.00 0.00 C ATOM 1619 O GLN A 99 -4.732 8.449 -12.045 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.177 6.361 -12.335 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.640 6.790 -12.204 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.961 7.942 -13.158 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -8.636 9.093 -12.914 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -9.615 7.570 -14.255 1.00 0.00 N ATOM 0 H GLN A 99 -7.889 6.247 -9.916 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.491 6.230 -11.038 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.770 6.727 -13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.114 5.273 -12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.292 5.943 -12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.842 7.096 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.856 6.589 -14.397 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.875 8.266 -14.954 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.597 9.293 -11.084 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.221 10.678 -11.309 1.00 0.00 C ATOM 1635 C ARG A 100 -7.377 11.609 -10.937 1.00 0.00 C ATOM 1636 O ARG A 100 -7.155 12.754 -10.545 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.835 10.914 -12.770 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.622 12.403 -13.048 1.00 0.00 C ATOM 1639 CD ARG A 100 -6.864 13.025 -13.689 1.00 0.00 C ATOM 1640 NE ARG A 100 -6.463 14.030 -14.698 1.00 0.00 N ATOM 1641 CZ ARG A 100 -6.016 13.727 -15.925 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -5.910 12.445 -16.301 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -5.675 14.705 -16.775 1.00 0.00 N ATOM 0 H ARG A 100 -7.492 9.166 -10.612 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.359 10.894 -10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.924 10.363 -13.002 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.617 10.527 -13.423 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.391 12.921 -12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.764 12.534 -13.707 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.469 12.249 -14.157 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.483 13.493 -12.923 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.531 15.016 -14.444 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.169 11.701 -15.654 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.570 12.214 -17.234 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.755 15.681 -16.489 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.335 14.474 -17.708 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.585 11.084 -11.073 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.776 11.854 -10.757 1.00 0.00 C ATOM 1659 C GLY A 101 -9.750 12.331 -9.303 1.00 0.00 C ATOM 1660 O GLY A 101 -8.710 12.284 -8.649 1.00 0.00 O ATOM 0 H GLY A 101 -8.765 10.134 -11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.846 12.713 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.663 11.245 -10.928 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.908 12.781 -8.841 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.030 13.267 -7.477 1.00 0.00 C ATOM 1666 C LEU A 102 -9.758 14.026 -7.094 1.00 0.00 C ATOM 1667 O LEU A 102 -9.631 15.215 -7.379 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.370 12.116 -6.527 1.00 0.00 C ATOM 1669 CG LEU A 102 -11.952 12.517 -5.170 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.176 11.666 -4.826 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -10.885 12.455 -4.076 1.00 0.00 C ATOM 0 H LEU A 102 -11.769 12.819 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.858 13.972 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.082 11.458 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.465 11.534 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.287 13.552 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.571 11.971 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.942 11.805 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.889 10.615 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.325 12.745 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.497 11.439 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.071 13.137 -4.322 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.849 13.306 -6.453 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.591 13.897 -6.028 1.00 0.00 C ATOM 1685 C TRP A 103 -6.506 12.824 -6.132 1.00 0.00 C ATOM 1686 O TRP A 103 -6.742 11.662 -5.803 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.711 14.491 -4.624 1.00 0.00 C ATOM 1688 CG TRP A 103 -7.844 16.015 -4.602 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.389 16.896 -5.504 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -8.497 16.807 -3.587 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.699 18.192 -5.146 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.394 18.136 -3.943 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -9.152 16.413 -2.407 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -8.924 19.179 -3.174 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -9.676 17.467 -1.649 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -9.581 18.810 -1.994 1.00 0.00 C ATOM 0 H TRP A 103 -8.958 12.320 -6.218 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.319 14.731 -6.675 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.578 14.054 -4.129 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.834 14.205 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.848 16.625 -6.399 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.462 19.036 -5.668 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.244 15.379 -2.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.831 20.212 -3.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.190 17.219 -0.732 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.012 19.566 -1.354 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.338 13.251 -6.592 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.216 12.341 -6.743 1.00 0.00 C ATOM 1709 C ASN A 104 -3.466 12.236 -5.413 1.00 0.00 C ATOM 1710 O ASN A 104 -2.778 13.172 -5.010 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.234 12.848 -7.801 1.00 0.00 C ATOM 1712 CG ASN A 104 -2.936 14.336 -7.603 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -2.015 14.723 -6.902 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -3.763 15.145 -8.258 1.00 0.00 N ATOM 0 H ASN A 104 -5.145 14.215 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.608 11.371 -7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.307 12.277 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.649 12.686 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.647 16.156 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.514 14.755 -8.828 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.629 11.059 -4.752 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.976 10.821 -3.476 1.00 0.00 C ATOM 1723 C PRO A 105 -1.483 10.546 -3.668 1.00 0.00 C ATOM 1724 O PRO A 105 -0.713 10.586 -2.709 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.723 9.646 -2.866 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.457 8.976 -4.016 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.437 9.928 -5.200 1.00 0.00 C ATOM 0 HA PRO A 105 -3.014 11.687 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.033 8.952 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.422 9.983 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.977 8.033 -4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.483 8.744 -3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.003 9.455 -6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.444 10.244 -5.471 1.00 0.00 H new ATOM 1735 N LYS A 106 -1.119 10.274 -4.912 1.00 0.00 N ATOM 1736 CA LYS A 106 0.268 9.992 -5.241 1.00 0.00 C ATOM 1737 C LYS A 106 0.941 9.305 -4.052 1.00 0.00 C ATOM 1738 O LYS A 106 2.059 9.656 -3.678 1.00 0.00 O ATOM 1739 CB LYS A 106 0.980 11.268 -5.697 1.00 0.00 C ATOM 1740 CG LYS A 106 0.036 12.471 -5.645 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.196 12.923 -4.202 1.00 0.00 C ATOM 1742 CE LYS A 106 1.020 12.611 -3.327 1.00 0.00 C ATOM 1743 NZ LYS A 106 2.233 13.254 -3.879 1.00 0.00 N ATOM 0 H LYS A 106 -1.760 10.243 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 106 0.327 9.302 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.846 11.453 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.353 11.137 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.456 13.293 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.917 12.211 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.399 13.994 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.077 12.424 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.844 12.964 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.167 11.533 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.940 12.525 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.986 13.777 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.627 13.912 -3.177 1.00 0.00 H new ATOM 1757 N GLU A 107 0.231 8.338 -3.489 1.00 0.00 N ATOM 1758 CA GLU A 107 0.746 7.598 -2.350 1.00 0.00 C ATOM 1759 C GLU A 107 0.936 6.124 -2.716 1.00 0.00 C ATOM 1760 O GLU A 107 0.337 5.636 -3.672 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.176 7.747 -1.138 1.00 0.00 C ATOM 1762 CG GLU A 107 -0.149 9.179 -0.601 1.00 0.00 C ATOM 1763 CD GLU A 107 0.397 9.220 0.827 1.00 0.00 C ATOM 1764 OE1 GLU A 107 -0.058 8.380 1.633 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.258 10.090 1.081 1.00 0.00 O ATOM 0 H GLU A 107 -0.697 8.050 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 107 1.717 8.013 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.195 7.479 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.133 7.055 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.469 9.802 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.155 9.598 -0.621 1.00 0.00 H new ATOM 1772 N ALA A 108 1.773 5.457 -1.935 1.00 0.00 N ATOM 1773 CA ALA A 108 2.050 4.049 -2.164 1.00 0.00 C ATOM 1774 C ALA A 108 1.465 3.225 -1.016 1.00 0.00 C ATOM 1775 O ALA A 108 1.716 3.515 0.152 1.00 0.00 O ATOM 1776 CB ALA A 108 3.558 3.844 -2.320 1.00 0.00 C ATOM 0 H ALA A 108 2.269 5.866 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 108 1.578 3.710 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.766 2.788 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.919 4.427 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.065 4.171 -1.412 1.00 0.00 H new ATOM 1782 N LEU A 109 0.695 2.212 -1.389 1.00 0.00 N ATOM 1783 CA LEU A 109 0.072 1.344 -0.405 1.00 0.00 C ATOM 1784 C LEU A 109 0.964 0.122 -0.172 1.00 0.00 C ATOM 1785 O LEU A 109 1.194 -0.666 -1.088 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.355 0.991 -0.828 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.445 1.973 -0.394 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.269 2.376 1.071 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.488 3.190 -1.322 1.00 0.00 C ATOM 0 H LEU A 109 0.489 1.974 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.022 1.859 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.381 0.907 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.599 0.007 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.409 1.471 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.057 3.074 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.327 1.489 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.297 2.852 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.271 3.872 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.526 3.702 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.697 2.864 -2.341 1.00 0.00 H new ATOM 1801 N TRP A 110 1.441 0.004 1.058 1.00 0.00 N ATOM 1802 CA TRP A 110 2.302 -1.108 1.423 1.00 0.00 C ATOM 1803 C TRP A 110 1.483 -2.082 2.272 1.00 0.00 C ATOM 1804 O TRP A 110 0.829 -1.675 3.232 1.00 0.00 O ATOM 1805 CB TRP A 110 3.566 -0.614 2.131 1.00 0.00 C ATOM 1806 CG TRP A 110 3.873 -1.347 3.438 1.00 0.00 C ATOM 1807 CD1 TRP A 110 3.824 -0.864 4.687 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.283 -2.724 3.576 1.00 0.00 C ATOM 1809 NE1 TRP A 110 4.170 -1.824 5.615 1.00 0.00 N ATOM 1810 CE2 TRP A 110 4.458 -2.991 4.918 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.498 -3.711 2.598 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 4.857 -4.242 5.405 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.896 -4.956 3.101 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.077 -5.241 4.449 1.00 0.00 C ATOM 0 H TRP A 110 1.248 0.660 1.815 1.00 0.00 H new ATOM 0 HA TRP A 110 2.653 -1.632 0.534 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.415 -0.725 1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.461 0.451 2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 110 3.548 0.150 4.936 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.208 -1.700 6.627 1.00 0.00 H new ATOM 0 HE3 TRP A 110 4.367 -3.524 1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.988 -4.426 6.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.075 -5.750 2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.386 -6.229 4.758 1.00 0.00 H new ATOM 1825 N VAL A 111 1.546 -3.348 1.889 1.00 0.00 N ATOM 1826 CA VAL A 111 0.818 -4.383 2.603 1.00 0.00 C ATOM 1827 C VAL A 111 1.482 -5.737 2.347 1.00 0.00 C ATOM 1828 O VAL A 111 1.766 -6.086 1.202 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.659 -4.356 2.203 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.562 -4.332 3.438 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -0.955 -3.169 1.283 1.00 0.00 C ATOM 0 H VAL A 111 2.090 -3.681 1.093 1.00 0.00 H new ATOM 0 HA VAL A 111 0.853 -4.202 3.677 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.874 -5.271 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.606 -4.313 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.380 -5.223 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.345 -3.443 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.011 -3.172 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.715 -2.240 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.350 -3.249 0.380 1.00 0.00 H new ATOM 1841 N ASP A 112 1.709 -6.464 3.431 1.00 0.00 N ATOM 1842 CA ASP A 112 2.335 -7.772 3.338 1.00 0.00 C ATOM 1843 C ASP A 112 1.481 -8.795 4.090 1.00 0.00 C ATOM 1844 O ASP A 112 0.920 -8.488 5.141 1.00 0.00 O ATOM 1845 CB ASP A 112 3.728 -7.763 3.970 1.00 0.00 C ATOM 1846 CG ASP A 112 4.422 -9.125 4.026 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.947 -9.973 4.813 1.00 0.00 O ATOM 1848 OD2 ASP A 112 5.411 -9.289 3.279 1.00 0.00 O ATOM 0 H ASP A 112 1.471 -6.172 4.379 1.00 0.00 H new ATOM 0 HA ASP A 112 2.420 -8.031 2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.360 -7.073 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.648 -7.371 4.984 1.00 0.00 H new ATOM 1853 N TRP A 113 1.410 -9.990 3.523 1.00 0.00 N ATOM 1854 CA TRP A 113 0.634 -11.061 4.126 1.00 0.00 C ATOM 1855 C TRP A 113 1.552 -12.273 4.294 1.00 0.00 C ATOM 1856 O TRP A 113 1.078 -13.396 4.461 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.615 -11.366 3.298 1.00 0.00 C ATOM 1858 CG TRP A 113 -0.389 -11.309 1.786 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -0.679 -10.306 0.946 1.00 0.00 C ATOM 1860 CD2 TRP A 113 0.189 -12.344 0.963 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -0.330 -10.617 -0.353 1.00 0.00 N ATOM 1862 CE2 TRP A 113 0.214 -11.896 -0.342 1.00 0.00 C ATOM 1863 CE3 TRP A 113 0.676 -13.617 1.310 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 0.716 -12.658 -1.404 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 1.173 -14.365 0.237 1.00 0.00 C ATOM 1866 CH2 TRP A 113 1.205 -13.929 -1.082 1.00 0.00 C ATOM 0 H TRP A 113 1.877 -10.241 2.652 1.00 0.00 H new ATOM 0 HA TRP A 113 0.266 -10.765 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.981 -12.358 3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -1.398 -10.656 3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.129 -9.372 1.247 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -0.449 -10.018 -1.170 1.00 0.00 H new ATOM 0 HE3 TRP A 113 0.667 -13.988 2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.725 -12.285 -2.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 1.559 -15.351 0.449 1.00 0.00 H new ATOM 0 HH2 TRP A 113 1.605 -14.568 -1.855 1.00 0.00 H new ATOM 1877 N GLU A 114 2.848 -12.005 4.243 1.00 0.00 N ATOM 1878 CA GLU A 114 3.837 -13.061 4.387 1.00 0.00 C ATOM 1879 C GLU A 114 4.248 -13.206 5.854 1.00 0.00 C ATOM 1880 O GLU A 114 4.301 -14.317 6.380 1.00 0.00 O ATOM 1881 CB GLU A 114 5.055 -12.796 3.500 1.00 0.00 C ATOM 1882 CG GLU A 114 5.602 -14.101 2.917 1.00 0.00 C ATOM 1883 CD GLU A 114 5.432 -15.257 3.905 1.00 0.00 C ATOM 1884 OE1 GLU A 114 6.279 -15.352 4.819 1.00 0.00 O ATOM 1885 OE2 GLU A 114 4.458 -16.019 3.723 1.00 0.00 O ATOM 0 H GLU A 114 3.237 -11.072 4.104 1.00 0.00 H new ATOM 0 HA GLU A 114 3.389 -13.999 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.780 -12.119 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.832 -12.299 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.083 -14.334 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.657 -13.980 2.672 1.00 0.00 H new ATOM 1892 N ASN A 115 4.528 -12.069 6.473 1.00 0.00 N ATOM 1893 CA ASN A 115 4.933 -12.056 7.868 1.00 0.00 C ATOM 1894 C ASN A 115 3.891 -11.293 8.689 1.00 0.00 C ATOM 1895 O ASN A 115 4.186 -10.820 9.786 1.00 0.00 O ATOM 1896 CB ASN A 115 6.281 -11.353 8.044 1.00 0.00 C ATOM 1897 CG ASN A 115 7.439 -12.340 7.879 1.00 0.00 C ATOM 1898 OD1 ASN A 115 7.343 -13.338 7.184 1.00 0.00 O ATOM 1899 ND2 ASN A 115 8.534 -12.005 8.554 1.00 0.00 N ATOM 0 H ASN A 115 4.482 -11.150 6.034 1.00 0.00 H new ATOM 0 HA ASN A 115 5.019 -13.089 8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.375 -10.551 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.329 -10.892 9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.362 -12.598 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 115 8.546 -11.155 9.117 1.00 0.00 H new ATOM 1906 N LYS A 116 2.695 -11.198 8.128 1.00 0.00 N ATOM 1907 CA LYS A 116 1.609 -10.501 8.794 1.00 0.00 C ATOM 1908 C LYS A 116 2.060 -9.082 9.149 1.00 0.00 C ATOM 1909 O LYS A 116 1.960 -8.665 10.302 1.00 0.00 O ATOM 1910 CB LYS A 116 1.113 -11.307 9.996 1.00 0.00 C ATOM 1911 CG LYS A 116 2.162 -11.333 11.110 1.00 0.00 C ATOM 1912 CD LYS A 116 1.520 -11.657 12.460 1.00 0.00 C ATOM 1913 CE LYS A 116 2.569 -11.678 13.574 1.00 0.00 C ATOM 1914 NZ LYS A 116 1.982 -11.206 14.848 1.00 0.00 N ATOM 0 H LYS A 116 2.454 -11.593 7.219 1.00 0.00 H new ATOM 0 HA LYS A 116 0.752 -10.406 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.188 -10.872 10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.882 -12.326 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.925 -12.076 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.664 -10.367 11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.755 -10.916 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 116 1.021 -12.625 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.956 -12.689 13.698 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.413 -11.045 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.707 -11.227 15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.634 -10.233 14.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.192 -11.826 15.117 1.00 0.00 H new ATOM 1928 N LEU A 117 2.547 -8.380 8.136 1.00 0.00 N ATOM 1929 CA LEU A 117 3.014 -7.017 8.327 1.00 0.00 C ATOM 1930 C LEU A 117 2.401 -6.118 7.251 1.00 0.00 C ATOM 1931 O LEU A 117 2.271 -6.524 6.097 1.00 0.00 O ATOM 1932 CB LEU A 117 4.542 -6.975 8.366 1.00 0.00 C ATOM 1933 CG LEU A 117 5.243 -6.786 7.019 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.475 -5.891 7.163 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.586 -8.136 6.385 1.00 0.00 C ATOM 0 H LEU A 117 2.628 -8.729 7.181 1.00 0.00 H new ATOM 0 HA LEU A 117 2.683 -6.632 9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.847 -6.165 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.900 -7.903 8.812 1.00 0.00 H new ATOM 0 HG LEU A 117 4.554 -6.279 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.955 -5.773 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.173 -4.914 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.177 -6.348 7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.083 -7.973 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.249 -8.692 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.671 -8.706 6.225 1.00 0.00 H new ATOM 1947 N VAL A 118 2.041 -4.913 7.667 1.00 0.00 N ATOM 1948 CA VAL A 118 1.445 -3.953 6.754 1.00 0.00 C ATOM 1949 C VAL A 118 1.834 -2.537 7.184 1.00 0.00 C ATOM 1950 O VAL A 118 2.384 -2.342 8.268 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.069 -4.163 6.688 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.730 -3.112 5.794 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.406 -5.578 6.212 1.00 0.00 C ATOM 0 H VAL A 118 2.151 -4.579 8.625 1.00 0.00 H new ATOM 0 HA VAL A 118 1.824 -4.102 5.743 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.468 -4.044 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.806 -3.284 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.532 -2.118 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.323 -3.184 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.488 -5.701 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.012 -5.737 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.018 -6.305 6.904 1.00 0.00 H new ATOM 1963 N GLY A 119 1.533 -1.584 6.314 1.00 0.00 N ATOM 1964 CA GLY A 119 1.844 -0.192 6.590 1.00 0.00 C ATOM 1965 C GLY A 119 1.468 0.699 5.405 1.00 0.00 C ATOM 1966 O GLY A 119 1.482 0.253 4.259 1.00 0.00 O ATOM 0 H GLY A 119 1.077 -1.749 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.307 0.135 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.908 -0.089 6.804 1.00 0.00 H new ATOM 1970 N ASN A 120 1.140 1.943 5.723 1.00 0.00 N ATOM 1971 CA ASN A 120 0.760 2.902 4.698 1.00 0.00 C ATOM 1972 C ASN A 120 1.993 3.700 4.271 1.00 0.00 C ATOM 1973 O ASN A 120 2.947 3.832 5.036 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.282 3.889 5.227 1.00 0.00 C ATOM 1975 CG ASN A 120 0.121 4.431 6.599 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.279 3.699 7.563 1.00 0.00 O ATOM 1977 ND2 ASN A 120 0.280 5.751 6.634 1.00 0.00 N ATOM 0 H ASN A 120 1.129 2.309 6.675 1.00 0.00 H new ATOM 0 HA ASN A 120 0.339 2.349 3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.395 4.715 4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.252 3.396 5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.550 6.209 7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.132 6.305 5.790 1.00 0.00 H new ATOM 1984 N GLU A 121 1.934 4.212 3.051 1.00 0.00 N ATOM 1985 CA GLU A 121 3.034 4.994 2.513 1.00 0.00 C ATOM 1986 C GLU A 121 4.129 4.070 1.975 1.00 0.00 C ATOM 1987 O GLU A 121 4.236 2.919 2.395 1.00 0.00 O ATOM 1988 CB GLU A 121 3.593 5.951 3.567 1.00 0.00 C ATOM 1989 CG GLU A 121 3.606 7.391 3.049 1.00 0.00 C ATOM 1990 CD GLU A 121 4.964 8.050 3.294 1.00 0.00 C ATOM 1991 OE1 GLU A 121 5.514 7.825 4.393 1.00 0.00 O ATOM 1992 OE2 GLU A 121 5.422 8.765 2.376 1.00 0.00 O ATOM 0 H GLU A 121 1.141 4.101 2.419 1.00 0.00 H new ATOM 0 HA GLU A 121 2.656 5.596 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.990 5.892 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.605 5.649 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.381 7.400 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.824 7.966 3.544 1.00 0.00 H new ATOM 1999 N PRO A 122 4.935 4.624 1.030 1.00 0.00 N ATOM 2000 CA PRO A 122 6.018 3.862 0.431 1.00 0.00 C ATOM 2001 C PRO A 122 7.193 3.723 1.401 1.00 0.00 C ATOM 2002 O PRO A 122 7.798 2.657 1.501 1.00 0.00 O ATOM 2003 CB PRO A 122 6.379 4.622 -0.835 1.00 0.00 C ATOM 2004 CG PRO A 122 5.810 6.020 -0.659 1.00 0.00 C ATOM 2005 CD PRO A 122 4.837 5.984 0.508 1.00 0.00 C ATOM 0 HA PRO A 122 5.732 2.837 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.459 4.655 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.957 4.137 -1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.609 6.736 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.303 6.343 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.102 6.720 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.821 6.212 0.184 1.00 0.00 H new ATOM 2013 N ALA A 123 7.481 4.816 2.092 1.00 0.00 N ATOM 2014 CA ALA A 123 8.572 4.830 3.051 1.00 0.00 C ATOM 2015 C ALA A 123 8.399 3.668 4.031 1.00 0.00 C ATOM 2016 O ALA A 123 9.375 3.176 4.595 1.00 0.00 O ATOM 2017 CB ALA A 123 8.615 6.187 3.756 1.00 0.00 C ATOM 0 H ALA A 123 6.977 5.699 2.007 1.00 0.00 H new ATOM 0 HA ALA A 123 9.529 4.695 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.434 6.197 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.770 6.975 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.672 6.357 4.276 1.00 0.00 H new ATOM 2023 N ASP A 124 7.149 3.264 4.204 1.00 0.00 N ATOM 2024 CA ASP A 124 6.836 2.169 5.107 1.00 0.00 C ATOM 2025 C ASP A 124 7.641 0.933 4.701 1.00 0.00 C ATOM 2026 O ASP A 124 8.287 0.306 5.540 1.00 0.00 O ATOM 2027 CB ASP A 124 5.350 1.809 5.040 1.00 0.00 C ATOM 2028 CG ASP A 124 4.681 1.571 6.395 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.093 0.603 7.070 1.00 0.00 O ATOM 2030 OD2 ASP A 124 3.772 2.363 6.726 1.00 0.00 O ATOM 0 H ASP A 124 6.342 3.675 3.735 1.00 0.00 H new ATOM 0 HA ASP A 124 7.086 2.484 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.820 2.611 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.236 0.911 4.433 1.00 0.00 H new ATOM 2035 N ILE A 125 7.576 0.619 3.416 1.00 0.00 N ATOM 2036 CA ILE A 125 8.291 -0.531 2.889 1.00 0.00 C ATOM 2037 C ILE A 125 9.743 -0.487 3.368 1.00 0.00 C ATOM 2038 O ILE A 125 10.236 -1.448 3.957 1.00 0.00 O ATOM 2039 CB ILE A 125 8.148 -0.600 1.367 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.233 -1.755 0.954 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.517 -0.683 0.691 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.341 -2.030 -0.547 1.00 0.00 C ATOM 0 H ILE A 125 7.039 1.141 2.724 1.00 0.00 H new ATOM 0 HA ILE A 125 7.857 -1.456 3.269 1.00 0.00 H new ATOM 0 HB ILE A 125 7.676 0.322 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.500 -2.653 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.201 -1.516 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.387 -0.731 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.103 0.200 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.038 -1.577 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.681 -2.855 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.050 -1.138 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.369 -2.293 -0.796 1.00 0.00 H new ATOM 2054 N ASP A 126 10.388 0.639 3.099 1.00 0.00 N ATOM 2055 CA ASP A 126 11.774 0.821 3.496 1.00 0.00 C ATOM 2056 C ASP A 126 11.925 0.476 4.979 1.00 0.00 C ATOM 2057 O ASP A 126 12.845 -0.244 5.362 1.00 0.00 O ATOM 2058 CB ASP A 126 12.216 2.273 3.301 1.00 0.00 C ATOM 2059 CG ASP A 126 13.317 2.747 4.252 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.169 1.901 4.600 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.281 3.944 4.610 1.00 0.00 O ATOM 0 H ASP A 126 9.976 1.434 2.611 1.00 0.00 H new ATOM 0 HA ASP A 126 12.391 0.170 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.564 2.396 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.348 2.921 3.423 1.00 0.00 H new ATOM 2066 N LYS A 127 11.007 1.007 5.774 1.00 0.00 N ATOM 2067 CA LYS A 127 11.026 0.764 7.206 1.00 0.00 C ATOM 2068 C LYS A 127 11.105 -0.743 7.462 1.00 0.00 C ATOM 2069 O LYS A 127 12.003 -1.211 8.161 1.00 0.00 O ATOM 2070 CB LYS A 127 9.832 1.441 7.881 1.00 0.00 C ATOM 2071 CG LYS A 127 10.222 2.810 8.441 1.00 0.00 C ATOM 2072 CD LYS A 127 10.989 3.629 7.401 1.00 0.00 C ATOM 2073 CE LYS A 127 10.241 4.919 7.058 1.00 0.00 C ATOM 2074 NZ LYS A 127 10.600 5.995 8.010 1.00 0.00 N ATOM 0 H LYS A 127 10.245 1.605 5.453 1.00 0.00 H new ATOM 0 HA LYS A 127 11.912 1.211 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.021 1.556 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.458 0.808 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.326 3.351 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.836 2.681 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.981 3.870 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.131 3.035 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.485 5.228 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.166 4.742 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.084 6.863 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.346 5.704 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.623 6.175 7.961 1.00 0.00 H new ATOM 2088 N TYR A 128 10.153 -1.459 6.884 1.00 0.00 N ATOM 2089 CA TYR A 128 10.103 -2.903 7.041 1.00 0.00 C ATOM 2090 C TYR A 128 10.949 -3.600 5.974 1.00 0.00 C ATOM 2091 O TYR A 128 12.086 -3.989 6.234 1.00 0.00 O ATOM 2092 CB TYR A 128 8.637 -3.298 6.851 1.00 0.00 C ATOM 2093 CG TYR A 128 7.706 -2.783 7.951 1.00 0.00 C ATOM 2094 CD1 TYR A 128 8.189 -2.591 9.230 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.384 -2.509 7.664 1.00 0.00 C ATOM 2096 CE1 TYR A 128 7.313 -2.106 10.265 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.509 -2.024 8.700 1.00 0.00 C ATOM 2098 CZ TYR A 128 6.016 -1.847 9.949 1.00 0.00 C ATOM 2099 OH TYR A 128 5.189 -1.389 10.926 1.00 0.00 O ATOM 0 H TYR A 128 9.410 -1.067 6.306 1.00 0.00 H new ATOM 0 HA TYR A 128 10.492 -3.196 8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.291 -2.919 5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.567 -4.385 6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.224 -2.805 9.454 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.006 -2.658 6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.678 -1.951 11.270 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.473 -1.806 8.489 1.00 0.00 H new ATOM 0 HH TYR A 128 4.293 -1.247 10.556 1.00 0.00 H new ATOM 2109 N ILE A 129 10.360 -3.737 4.794 1.00 0.00 N ATOM 2110 CA ILE A 129 11.046 -4.381 3.686 1.00 0.00 C ATOM 2111 C ILE A 129 11.172 -3.391 2.527 1.00 0.00 C ATOM 2112 O ILE A 129 10.317 -3.352 1.643 1.00 0.00 O ATOM 2113 CB ILE A 129 10.343 -5.686 3.307 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.830 -5.482 3.198 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.702 -6.806 4.285 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.195 -5.337 4.583 1.00 0.00 C ATOM 0 H ILE A 129 9.416 -3.413 4.582 1.00 0.00 H new ATOM 0 HA ILE A 129 12.058 -4.664 3.976 1.00 0.00 H new ATOM 0 HB ILE A 129 10.698 -5.992 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.621 -4.593 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.382 -6.327 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.189 -7.722 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.779 -6.972 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.394 -6.523 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.120 -5.193 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.385 -6.238 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.628 -4.476 5.093 1.00 0.00 H new ATOM 2128 N ILE A 130 12.245 -2.615 2.567 1.00 0.00 N ATOM 2129 CA ILE A 130 12.495 -1.628 1.531 1.00 0.00 C ATOM 2130 C ILE A 130 12.334 -2.284 0.158 1.00 0.00 C ATOM 2131 O ILE A 130 12.042 -3.475 0.066 1.00 0.00 O ATOM 2132 CB ILE A 130 13.858 -0.965 1.739 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.805 -1.280 0.579 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.457 -1.357 3.091 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.599 -2.559 0.853 1.00 0.00 C ATOM 0 H ILE A 130 12.952 -2.650 3.302 1.00 0.00 H new ATOM 0 HA ILE A 130 11.763 -0.823 1.588 1.00 0.00 H new ATOM 0 HB ILE A 130 13.714 0.115 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.233 -1.393 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.491 -0.447 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.426 -0.872 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.788 -1.040 3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.585 -2.439 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.265 -2.761 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 130 16.188 -2.434 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.911 -3.395 0.979 1.00 0.00 H new ATOM 2147 N GLN A 131 12.532 -1.478 -0.875 1.00 0.00 N ATOM 2148 CA GLN A 131 12.413 -1.966 -2.238 1.00 0.00 C ATOM 2149 C GLN A 131 13.323 -3.177 -2.450 1.00 0.00 C ATOM 2150 O GLN A 131 13.397 -3.717 -3.553 1.00 0.00 O ATOM 2151 CB GLN A 131 12.729 -0.859 -3.246 1.00 0.00 C ATOM 2152 CG GLN A 131 13.871 0.028 -2.745 1.00 0.00 C ATOM 2153 CD GLN A 131 13.328 1.289 -2.069 1.00 0.00 C ATOM 2154 OE1 GLN A 131 12.132 1.488 -1.936 1.00 0.00 O ATOM 2155 NE2 GLN A 131 14.273 2.127 -1.650 1.00 0.00 N ATOM 0 H GLN A 131 12.774 -0.490 -0.795 1.00 0.00 H new ATOM 0 HA GLN A 131 11.382 -2.278 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 131 13.001 -1.301 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.840 -0.252 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.488 -0.530 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.514 0.306 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 131 15.257 1.899 -1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 131 14.014 2.997 -1.186 1.00 0.00 H new ATOM 2164 N ARG A 132 13.993 -3.569 -1.377 1.00 0.00 N ATOM 2165 CA ARG A 132 14.895 -4.707 -1.431 1.00 0.00 C ATOM 2166 C ARG A 132 15.292 -5.138 -0.018 1.00 0.00 C ATOM 2167 O ARG A 132 16.431 -4.933 0.400 1.00 0.00 O ATOM 2168 CB ARG A 132 16.157 -4.371 -2.228 1.00 0.00 C ATOM 2169 CG ARG A 132 16.055 -4.893 -3.663 1.00 0.00 C ATOM 2170 CD ARG A 132 15.559 -6.340 -3.686 1.00 0.00 C ATOM 2171 NE ARG A 132 14.213 -6.404 -4.297 1.00 0.00 N ATOM 2172 CZ ARG A 132 13.803 -7.388 -5.110 1.00 0.00 C ATOM 2173 NH1 ARG A 132 14.632 -8.396 -5.413 1.00 0.00 N ATOM 2174 NH2 ARG A 132 12.563 -7.364 -5.619 1.00 0.00 N ATOM 0 H ARG A 132 13.929 -3.119 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 132 14.370 -5.523 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.307 -3.291 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.027 -4.809 -1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 132 15.375 -4.263 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.030 -4.831 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.254 -6.962 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 132 15.526 -6.738 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 132 13.556 -5.653 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 132 15.575 -8.415 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 132 14.320 -9.145 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 132 11.932 -6.597 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 132 12.251 -8.113 -6.238 1.00 0.00 H new ATOM 2188 N LYS A 133 14.332 -5.727 0.679 1.00 0.00 N ATOM 2189 CA LYS A 133 14.567 -6.188 2.036 1.00 0.00 C ATOM 2190 C LYS A 133 15.866 -6.995 2.078 1.00 0.00 C ATOM 2191 O LYS A 133 16.934 -6.445 2.345 1.00 0.00 O ATOM 2192 CB LYS A 133 13.350 -6.955 2.560 1.00 0.00 C ATOM 2193 CG LYS A 133 13.774 -8.059 3.531 1.00 0.00 C ATOM 2194 CD LYS A 133 14.353 -9.258 2.778 1.00 0.00 C ATOM 2195 CE LYS A 133 13.594 -10.541 3.125 1.00 0.00 C ATOM 2196 NZ LYS A 133 13.847 -11.584 2.105 1.00 0.00 N ATOM 0 H LYS A 133 13.389 -5.896 0.329 1.00 0.00 H new ATOM 0 HA LYS A 133 14.695 -5.340 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 133 12.670 -6.266 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 133 12.803 -7.391 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 133 14.516 -7.670 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 133 12.916 -8.377 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.299 -9.078 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.407 -9.375 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.904 -10.900 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 133 12.526 -10.334 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.325 -12.448 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.529 -11.244 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.865 -11.793 2.068 1.00 0.00 H new TER 2210 LYS A 133