USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= -3.56 K(o=-6.7,f=-11!) USER MOD Set 1.2: A 95 GLN : amide:sc= -3.17! C(o=-6.7!,f=-9.7!) USER MOD Set 2.1: A 79 SER OG : rot 165:sc= -1.68! USER MOD Set 2.2: A 84 LYS NZ :NH3+ -152:sc= 0.0135 (180deg=0) USER MOD Set 2.3: A 85 HIS : no HD1:sc= -10.8! C(o=-12!,f=-14!) USER MOD Set 3.1: A 69 SER OG : rot -160:sc= -3.75! USER MOD Set 3.2: A 120 ASN : amide:sc= -8.46! C(o=-12!,f=-16!) USER MOD Set 4.1: A 24 ASN : amide:sc= -2.11! C(o=-5.3!,f=-6.5!) USER MOD Set 4.2: A 26 LYS NZ :NH3+ -149:sc= -0.0359 (180deg=-0.363) USER MOD Set 4.3: A 27 SER OG : rot 170:sc= -3.16! USER MOD Set 5.1: A 18 THR OG1 : rot 180:sc= -0.555 USER MOD Set 5.2: A 29 LYS NZ :NH3+ 159:sc= -7.42! (180deg=-9.72!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.648 (180deg=0.346) USER MOD Single : A 2 SER OG : rot 63:sc= 0.728 USER MOD Single : A 5 LYS NZ :NH3+ -121:sc= -0.0329 (180deg=-1.16) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.294! USER MOD Single : A 8 GLN : amide:sc= -0.0631 K(o=-0.063,f=-1.7!) USER MOD Single : A 10 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.5!) USER MOD Single : A 13 THR OG1 : rot 152:sc= 0.991 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -12.3! C(o=-12!,f=-16!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.403 K(o=-0.4,f=-2.7!) USER MOD Single : A 30 CYS SG : rot -170:sc= -1.32 USER MOD Single : A 32 GLN : amide:sc= -2.9 K(o=-2.9,f=-7.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot -121:sc= -2.39! USER MOD Single : A 55 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 57 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.72!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 147:sc= -12.9! (180deg=-15.5!) USER MOD Single : A 61 THR OG1 : rot 63:sc= 1.04 USER MOD Single : A 62 SER OG : rot 180:sc= -1 USER MOD Single : A 63 CYS SG : rot -170:sc= -1.87 USER MOD Single : A 65 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= -5.84! C(o=-5.8!,f=-8.6!) USER MOD Single : A 73 GLN : amide:sc= -8.82! C(o=-8.8!,f=-12!) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00427) 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 86 THR OG1 : rot 63:sc= -0.104 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -164:sc= -25.5! (180deg=-27.7!) USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0643) USER MOD Single : A 97 CYS SG : rot -117:sc= -0.371 USER MOD Single : A 99 GLN : amide:sc= -18.5! C(o=-19!,f=-10!) USER MOD Single : A 104 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -21.8! C(o=-22!,f=-38!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 30:sc= -5.4! USER MOD Single : A 131 GLN : amide:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.128 -12.549 14.695 1.00 0.00 N ATOM 2 CA MET A 1 17.495 -12.703 15.163 1.00 0.00 C ATOM 3 C MET A 1 18.350 -11.498 14.764 1.00 0.00 C ATOM 4 O MET A 1 18.952 -10.850 15.619 1.00 0.00 O ATOM 5 CB MET A 1 18.098 -13.977 14.567 1.00 0.00 C ATOM 6 CG MET A 1 17.689 -15.208 15.378 1.00 0.00 C ATOM 7 SD MET A 1 16.100 -15.803 14.825 1.00 0.00 S ATOM 8 CE MET A 1 16.336 -17.560 15.035 1.00 0.00 C ATOM 0 H1 MET A 1 15.669 -13.481 14.651 1.00 0.00 H new ATOM 0 H2 MET A 1 15.604 -11.936 15.351 1.00 0.00 H new ATOM 0 H3 MET A 1 16.132 -12.120 13.748 1.00 0.00 H new ATOM 0 HA MET A 1 17.482 -12.771 16.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.768 -14.091 13.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.185 -13.895 14.547 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.438 -15.992 15.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.644 -14.957 16.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.431 -18.087 14.733 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.172 -17.891 14.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.550 -17.776 16.082 1.00 0.00 H new ATOM 18 N SER A 2 18.376 -11.235 13.466 1.00 0.00 N ATOM 19 CA SER A 2 19.147 -10.120 12.944 1.00 0.00 C ATOM 20 C SER A 2 19.129 -10.142 11.414 1.00 0.00 C ATOM 21 O SER A 2 19.151 -11.211 10.805 1.00 0.00 O ATOM 22 CB SER A 2 20.587 -10.156 13.459 1.00 0.00 C ATOM 23 OG SER A 2 20.801 -9.221 14.512 1.00 0.00 O ATOM 0 H SER A 2 17.875 -11.775 12.760 1.00 0.00 H new ATOM 0 HA SER A 2 18.689 -9.195 13.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.820 -11.160 13.813 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.271 -9.940 12.638 1.00 0.00 H new ATOM 0 HG SER A 2 20.232 -9.452 15.276 1.00 0.00 H new ATOM 29 N PHE A 3 19.091 -8.950 10.837 1.00 0.00 N ATOM 30 CA PHE A 3 19.071 -8.820 9.390 1.00 0.00 C ATOM 31 C PHE A 3 19.345 -7.376 8.965 1.00 0.00 C ATOM 32 O PHE A 3 19.392 -6.477 9.804 1.00 0.00 O ATOM 33 CB PHE A 3 17.669 -9.218 8.924 1.00 0.00 C ATOM 34 CG PHE A 3 17.429 -10.729 8.895 1.00 0.00 C ATOM 35 CD1 PHE A 3 18.141 -11.514 8.043 1.00 0.00 C ATOM 36 CD2 PHE A 3 16.503 -11.287 9.721 1.00 0.00 C ATOM 37 CE1 PHE A 3 17.918 -12.917 8.016 1.00 0.00 C ATOM 38 CE2 PHE A 3 16.280 -12.689 9.694 1.00 0.00 C ATOM 39 CZ PHE A 3 16.992 -13.474 8.842 1.00 0.00 C ATOM 0 H PHE A 3 19.074 -8.066 11.345 1.00 0.00 H new ATOM 0 HA PHE A 3 19.841 -9.453 8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 3 16.933 -8.756 9.583 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.501 -8.814 7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.876 -11.071 7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 3 15.937 -10.663 10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.484 -13.541 7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 3 15.545 -13.132 10.350 1.00 0.00 H new ATOM 0 HZ PHE A 3 16.822 -14.540 8.821 1.00 0.00 H new ATOM 49 N TRP A 4 19.519 -7.198 7.664 1.00 0.00 N ATOM 50 CA TRP A 4 19.787 -5.878 7.118 1.00 0.00 C ATOM 51 C TRP A 4 18.468 -5.103 7.086 1.00 0.00 C ATOM 52 O TRP A 4 18.411 -3.949 7.508 1.00 0.00 O ATOM 53 CB TRP A 4 20.456 -5.978 5.746 1.00 0.00 C ATOM 54 CG TRP A 4 21.795 -6.717 5.759 1.00 0.00 C ATOM 55 CD1 TRP A 4 22.009 -8.039 5.713 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.107 -6.118 5.825 1.00 0.00 C ATOM 57 NE1 TRP A 4 23.356 -8.335 5.744 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.045 -7.130 5.814 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.488 -4.767 5.891 1.00 0.00 C ATOM 60 CZ2 TRP A 4 25.425 -6.897 5.867 1.00 0.00 C ATOM 61 CZ3 TRP A 4 24.870 -4.550 5.944 1.00 0.00 C ATOM 62 CH2 TRP A 4 25.827 -5.558 5.934 1.00 0.00 C ATOM 0 H TRP A 4 19.480 -7.946 6.972 1.00 0.00 H new ATOM 0 HA TRP A 4 20.493 -5.336 7.747 1.00 0.00 H new ATOM 0 HB2 TRP A 4 19.779 -6.486 5.059 1.00 0.00 H new ATOM 0 HB3 TRP A 4 20.611 -4.973 5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 4 21.225 -8.780 5.658 1.00 0.00 H new ATOM 0 HE1 TRP A 4 23.770 -9.267 5.720 1.00 0.00 H new ATOM 0 HE3 TRP A 4 22.771 -3.959 5.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.140 -7.706 5.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.217 -3.528 5.996 1.00 0.00 H new ATOM 0 HH2 TRP A 4 26.877 -5.309 5.978 1.00 0.00 H new ATOM 73 N LYS A 5 17.440 -5.768 6.580 1.00 0.00 N ATOM 74 CA LYS A 5 16.125 -5.156 6.487 1.00 0.00 C ATOM 75 C LYS A 5 15.412 -5.283 7.834 1.00 0.00 C ATOM 76 O LYS A 5 14.469 -4.544 8.113 1.00 0.00 O ATOM 77 CB LYS A 5 15.339 -5.751 5.317 1.00 0.00 C ATOM 78 CG LYS A 5 16.233 -5.922 4.086 1.00 0.00 C ATOM 79 CD LYS A 5 16.059 -4.752 3.116 1.00 0.00 C ATOM 80 CE LYS A 5 17.325 -3.894 3.060 1.00 0.00 C ATOM 81 NZ LYS A 5 17.232 -2.770 4.018 1.00 0.00 N ATOM 0 H LYS A 5 17.491 -6.725 6.230 1.00 0.00 H new ATOM 0 HA LYS A 5 16.215 -4.091 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.924 -6.716 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.497 -5.103 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.276 -5.990 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.989 -6.857 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.828 -5.131 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.213 -4.139 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.197 -4.506 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.466 -3.508 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.317 -1.869 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.314 -2.805 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.999 -2.845 4.717 1.00 0.00 H new ATOM 95 N THR A 6 15.890 -6.224 8.635 1.00 0.00 N ATOM 96 CA THR A 6 15.309 -6.456 9.946 1.00 0.00 C ATOM 97 C THR A 6 13.788 -6.300 9.892 1.00 0.00 C ATOM 98 O THR A 6 13.166 -6.592 8.872 1.00 0.00 O ATOM 99 CB THR A 6 15.983 -5.505 10.937 1.00 0.00 C ATOM 100 OG1 THR A 6 15.400 -5.841 12.193 1.00 0.00 O ATOM 101 CG2 THR A 6 15.577 -4.046 10.716 1.00 0.00 C ATOM 0 H THR A 6 16.673 -6.834 8.401 1.00 0.00 H new ATOM 0 HA THR A 6 15.487 -7.478 10.282 1.00 0.00 H new ATOM 0 HB THR A 6 17.066 -5.598 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.782 -5.272 12.894 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.083 -3.413 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.860 -3.738 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.498 -3.946 10.836 1.00 0.00 H new ATOM 109 N LEU A 7 13.233 -5.838 11.003 1.00 0.00 N ATOM 110 CA LEU A 7 11.797 -5.639 11.094 1.00 0.00 C ATOM 111 C LEU A 7 11.140 -6.921 11.611 1.00 0.00 C ATOM 112 O LEU A 7 11.300 -7.987 11.018 1.00 0.00 O ATOM 113 CB LEU A 7 11.236 -5.157 9.755 1.00 0.00 C ATOM 114 CG LEU A 7 10.127 -4.106 9.831 1.00 0.00 C ATOM 115 CD1 LEU A 7 8.853 -4.696 10.438 1.00 0.00 C ATOM 116 CD2 LEU A 7 10.600 -2.863 10.588 1.00 0.00 C ATOM 0 H LEU A 7 13.752 -5.596 11.847 1.00 0.00 H new ATOM 0 HA LEU A 7 11.567 -4.851 11.811 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.057 -4.748 9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.854 -6.021 9.212 1.00 0.00 H new ATOM 0 HG LEU A 7 9.884 -3.792 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.081 -3.928 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.506 -5.525 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.063 -5.056 11.445 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.793 -2.132 10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.887 -3.142 11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.458 -2.429 10.075 1.00 0.00 H new ATOM 128 N GLN A 8 10.415 -6.775 12.710 1.00 0.00 N ATOM 129 CA GLN A 8 9.733 -7.908 13.312 1.00 0.00 C ATOM 130 C GLN A 8 9.065 -8.761 12.233 1.00 0.00 C ATOM 131 O GLN A 8 8.498 -8.230 11.279 1.00 0.00 O ATOM 132 CB GLN A 8 8.713 -7.444 14.354 1.00 0.00 C ATOM 133 CG GLN A 8 8.149 -8.631 15.137 1.00 0.00 C ATOM 134 CD GLN A 8 9.093 -9.039 16.270 1.00 0.00 C ATOM 135 OE1 GLN A 8 10.071 -8.373 16.568 1.00 0.00 O ATOM 136 NE2 GLN A 8 8.748 -10.168 16.882 1.00 0.00 N ATOM 0 H GLN A 8 10.285 -5.890 13.199 1.00 0.00 H new ATOM 0 HA GLN A 8 10.474 -8.521 13.825 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.184 -6.741 15.041 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.901 -6.911 13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.174 -8.370 15.548 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.996 -9.475 14.465 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.916 -10.677 16.582 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.315 -10.525 17.651 1.00 0.00 H new ATOM 145 N ARG A 9 9.153 -10.070 12.419 1.00 0.00 N ATOM 146 CA ARG A 9 8.564 -11.002 11.472 1.00 0.00 C ATOM 147 C ARG A 9 9.166 -10.796 10.081 1.00 0.00 C ATOM 148 O ARG A 9 9.302 -9.664 9.620 1.00 0.00 O ATOM 149 CB ARG A 9 7.047 -10.823 11.395 1.00 0.00 C ATOM 150 CG ARG A 9 6.321 -12.075 11.895 1.00 0.00 C ATOM 151 CD ARG A 9 6.719 -13.303 11.074 1.00 0.00 C ATOM 152 NE ARG A 9 5.639 -13.646 10.121 1.00 0.00 N ATOM 153 CZ ARG A 9 5.499 -14.847 9.545 1.00 0.00 C ATOM 154 NH1 ARG A 9 6.369 -15.829 9.822 1.00 0.00 N ATOM 155 NH2 ARG A 9 4.489 -15.068 8.693 1.00 0.00 N ATOM 0 H ARG A 9 9.623 -10.507 13.211 1.00 0.00 H new ATOM 0 HA ARG A 9 8.782 -12.012 11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.748 -9.962 11.993 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.754 -10.614 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.559 -12.243 12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.243 -11.925 11.832 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.644 -13.105 10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.912 -14.147 11.736 1.00 0.00 H new ATOM 0 HE ARG A 9 4.959 -12.922 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.137 -15.661 10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.262 -16.744 9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.826 -14.321 8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.383 -15.983 8.254 1.00 0.00 H new ATOM 169 N GLN A 10 9.511 -11.909 9.450 1.00 0.00 N ATOM 170 CA GLN A 10 10.095 -11.866 8.120 1.00 0.00 C ATOM 171 C GLN A 10 8.994 -11.859 7.057 1.00 0.00 C ATOM 172 O GLN A 10 8.096 -12.699 7.082 1.00 0.00 O ATOM 173 CB GLN A 10 11.057 -13.036 7.905 1.00 0.00 C ATOM 174 CG GLN A 10 10.429 -14.354 8.362 1.00 0.00 C ATOM 175 CD GLN A 10 10.990 -14.787 9.718 1.00 0.00 C ATOM 176 OE1 GLN A 10 12.145 -14.564 10.041 1.00 0.00 O ATOM 177 NE2 GLN A 10 10.111 -15.419 10.491 1.00 0.00 N ATOM 0 H GLN A 10 9.397 -12.846 9.835 1.00 0.00 H new ATOM 0 HA GLN A 10 10.670 -10.944 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.324 -13.103 6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.980 -12.858 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.347 -14.241 8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.622 -15.129 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.159 -15.573 10.160 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.389 -15.749 11.415 1.00 0.00 H new ATOM 186 N PRO A 11 9.103 -10.876 6.123 1.00 0.00 N ATOM 187 CA PRO A 11 8.128 -10.749 5.053 1.00 0.00 C ATOM 188 C PRO A 11 8.337 -11.829 3.990 1.00 0.00 C ATOM 189 O PRO A 11 9.471 -12.132 3.622 1.00 0.00 O ATOM 190 CB PRO A 11 8.318 -9.340 4.514 1.00 0.00 C ATOM 191 CG PRO A 11 9.693 -8.896 4.984 1.00 0.00 C ATOM 192 CD PRO A 11 10.153 -9.864 6.062 1.00 0.00 C ATOM 0 HA PRO A 11 7.104 -10.895 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.254 -9.326 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.543 -8.671 4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.397 -8.889 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.653 -7.880 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.117 -10.308 5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.274 -9.360 7.021 1.00 0.00 H new ATOM 200 N ARG A 12 7.225 -12.380 3.527 1.00 0.00 N ATOM 201 CA ARG A 12 7.271 -13.420 2.513 1.00 0.00 C ATOM 202 C ARG A 12 6.705 -12.899 1.191 1.00 0.00 C ATOM 203 O ARG A 12 7.326 -13.055 0.141 1.00 0.00 O ATOM 204 CB ARG A 12 6.475 -14.651 2.950 1.00 0.00 C ATOM 205 CG ARG A 12 7.409 -15.804 3.324 1.00 0.00 C ATOM 206 CD ARG A 12 6.649 -17.132 3.372 1.00 0.00 C ATOM 207 NE ARG A 12 7.515 -18.190 3.939 1.00 0.00 N ATOM 208 CZ ARG A 12 7.321 -19.502 3.748 1.00 0.00 C ATOM 209 NH1 ARG A 12 6.290 -19.925 3.003 1.00 0.00 N ATOM 210 NH2 ARG A 12 8.157 -20.390 4.301 1.00 0.00 N ATOM 0 H ARG A 12 6.286 -12.126 3.835 1.00 0.00 H new ATOM 0 HA ARG A 12 8.315 -13.705 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.845 -14.397 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.810 -14.963 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.219 -15.871 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.866 -15.607 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.749 -17.024 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.327 -17.413 2.369 1.00 0.00 H new ATOM 0 HE ARG A 12 8.309 -17.902 4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.654 -19.248 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.142 -20.924 2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.941 -20.068 4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.009 -21.389 4.156 1.00 0.00 H new ATOM 224 N THR A 13 5.533 -12.289 1.285 1.00 0.00 N ATOM 225 CA THR A 13 4.876 -11.743 0.110 1.00 0.00 C ATOM 226 C THR A 13 4.581 -10.255 0.306 1.00 0.00 C ATOM 227 O THR A 13 3.830 -9.881 1.206 1.00 0.00 O ATOM 228 CB THR A 13 3.625 -12.580 -0.165 1.00 0.00 C ATOM 229 OG1 THR A 13 4.136 -13.851 -0.558 1.00 0.00 O ATOM 230 CG2 THR A 13 2.852 -12.093 -1.392 1.00 0.00 C ATOM 0 H THR A 13 5.021 -12.161 2.158 1.00 0.00 H new ATOM 0 HA THR A 13 5.522 -11.801 -0.766 1.00 0.00 H new ATOM 0 HB THR A 13 2.973 -12.554 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.488 -14.549 -0.329 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.974 -12.721 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.537 -11.061 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.493 -12.149 -2.272 1.00 0.00 H new ATOM 238 N ILE A 14 5.187 -9.446 -0.550 1.00 0.00 N ATOM 239 CA ILE A 14 4.998 -8.007 -0.482 1.00 0.00 C ATOM 240 C ILE A 14 3.857 -7.601 -1.417 1.00 0.00 C ATOM 241 O ILE A 14 4.007 -7.641 -2.637 1.00 0.00 O ATOM 242 CB ILE A 14 6.314 -7.280 -0.766 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.462 -7.885 0.045 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.173 -5.776 -0.524 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.015 -8.203 1.474 1.00 0.00 C ATOM 0 H ILE A 14 5.810 -9.760 -1.295 1.00 0.00 H new ATOM 0 HA ILE A 14 4.706 -7.709 0.525 1.00 0.00 H new ATOM 0 HB ILE A 14 6.558 -7.416 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.815 -8.795 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.301 -7.190 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.122 -5.283 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.402 -5.372 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.894 -5.599 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.849 -8.632 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.685 -7.287 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.192 -8.917 1.447 1.00 0.00 H new ATOM 257 N SER A 15 2.743 -7.221 -0.809 1.00 0.00 N ATOM 258 CA SER A 15 1.578 -6.809 -1.572 1.00 0.00 C ATOM 259 C SER A 15 1.462 -5.283 -1.568 1.00 0.00 C ATOM 260 O SER A 15 0.921 -4.701 -0.629 1.00 0.00 O ATOM 261 CB SER A 15 0.301 -7.439 -1.012 1.00 0.00 C ATOM 262 OG SER A 15 0.187 -8.815 -1.364 1.00 0.00 O ATOM 0 H SER A 15 2.623 -7.190 0.203 1.00 0.00 H new ATOM 0 HA SER A 15 1.702 -7.155 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.294 -7.341 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.566 -6.896 -1.387 1.00 0.00 H new ATOM 0 HG SER A 15 -0.640 -9.182 -0.987 1.00 0.00 H new ATOM 268 N LEU A 16 1.979 -4.679 -2.628 1.00 0.00 N ATOM 269 CA LEU A 16 1.941 -3.233 -2.758 1.00 0.00 C ATOM 270 C LEU A 16 0.839 -2.843 -3.746 1.00 0.00 C ATOM 271 O LEU A 16 0.613 -3.538 -4.735 1.00 0.00 O ATOM 272 CB LEU A 16 3.322 -2.692 -3.133 1.00 0.00 C ATOM 273 CG LEU A 16 4.366 -2.684 -2.014 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.558 -1.274 -1.453 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.005 -3.692 -0.921 1.00 0.00 C ATOM 0 H LEU A 16 2.427 -5.165 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 16 1.692 -2.771 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.710 -3.285 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.204 -1.672 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 16 5.322 -2.995 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.305 -1.297 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.894 -0.609 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.612 -0.911 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.763 -3.666 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.035 -3.436 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.960 -4.693 -1.350 1.00 0.00 H new ATOM 287 N PHE A 17 0.183 -1.732 -3.443 1.00 0.00 N ATOM 288 CA PHE A 17 -0.890 -1.242 -4.291 1.00 0.00 C ATOM 289 C PHE A 17 -0.585 0.168 -4.800 1.00 0.00 C ATOM 290 O PHE A 17 0.146 0.920 -4.157 1.00 0.00 O ATOM 291 CB PHE A 17 -2.155 -1.199 -3.432 1.00 0.00 C ATOM 292 CG PHE A 17 -2.685 -2.578 -3.035 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.257 -3.382 -3.971 1.00 0.00 C ATOM 294 CD2 PHE A 17 -2.585 -2.999 -1.746 1.00 0.00 C ATOM 295 CE1 PHE A 17 -3.749 -4.662 -3.603 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.077 -4.279 -1.377 1.00 0.00 C ATOM 297 CZ PHE A 17 -3.649 -5.084 -2.314 1.00 0.00 C ATOM 0 H PHE A 17 0.374 -1.158 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.008 -1.894 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.948 -0.626 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.934 -0.665 -3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.337 -3.047 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.131 -2.360 -1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.203 -5.300 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.997 -4.614 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.023 -6.058 -2.034 1.00 0.00 H new ATOM 307 N THR A 18 -1.160 0.485 -5.951 1.00 0.00 N ATOM 308 CA THR A 18 -0.959 1.791 -6.554 1.00 0.00 C ATOM 309 C THR A 18 -2.125 2.721 -6.213 1.00 0.00 C ATOM 310 O THR A 18 -3.276 2.291 -6.173 1.00 0.00 O ATOM 311 CB THR A 18 -0.761 1.593 -8.058 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.089 0.340 -8.157 1.00 0.00 O ATOM 313 CG2 THR A 18 0.229 2.595 -8.655 1.00 0.00 C ATOM 0 H THR A 18 -1.765 -0.141 -6.482 1.00 0.00 H new ATOM 0 HA THR A 18 -0.068 2.277 -6.155 1.00 0.00 H new ATOM 0 HB THR A 18 -1.721 1.685 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.078 0.132 -9.100 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.333 2.411 -9.724 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.139 3.609 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.199 2.481 -8.171 1.00 0.00 H new ATOM 321 N ASN A 19 -1.786 3.980 -5.974 1.00 0.00 N ATOM 322 CA ASN A 19 -2.790 4.975 -5.638 1.00 0.00 C ATOM 323 C ASN A 19 -2.369 6.331 -6.205 1.00 0.00 C ATOM 324 O ASN A 19 -1.936 7.211 -5.463 1.00 0.00 O ATOM 325 CB ASN A 19 -2.934 5.121 -4.121 1.00 0.00 C ATOM 326 CG ASN A 19 -2.119 4.054 -3.388 1.00 0.00 C ATOM 327 OD1 ASN A 19 -2.349 2.862 -3.517 1.00 0.00 O ATOM 328 ND2 ASN A 19 -1.156 4.546 -2.613 1.00 0.00 N ATOM 0 H ASN A 19 -0.830 4.333 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.741 4.651 -6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.601 6.113 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.984 5.037 -3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.556 3.915 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.017 5.555 -2.550 1.00 0.00 H new ATOM 335 N ASP A 20 -2.510 6.458 -7.517 1.00 0.00 N ATOM 336 CA ASP A 20 -2.149 7.692 -8.193 1.00 0.00 C ATOM 337 C ASP A 20 -0.633 7.886 -8.117 1.00 0.00 C ATOM 338 O ASP A 20 0.076 7.050 -7.558 1.00 0.00 O ATOM 339 CB ASP A 20 -2.813 8.899 -7.527 1.00 0.00 C ATOM 340 CG ASP A 20 -2.952 10.135 -8.419 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.904 10.586 -8.929 1.00 0.00 O ATOM 342 OD2 ASP A 20 -4.102 10.599 -8.570 1.00 0.00 O ATOM 0 H ASP A 20 -2.870 5.726 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.485 7.620 -9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.804 8.605 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.236 9.170 -6.643 1.00 0.00 H new ATOM 347 N ILE A 21 -0.181 8.993 -8.687 1.00 0.00 N ATOM 348 CA ILE A 21 1.238 9.307 -8.691 1.00 0.00 C ATOM 349 C ILE A 21 1.500 10.449 -9.675 1.00 0.00 C ATOM 350 O ILE A 21 1.699 11.592 -9.267 1.00 0.00 O ATOM 351 CB ILE A 21 2.064 8.050 -8.972 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.671 7.493 -7.683 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.129 8.321 -10.037 1.00 0.00 C ATOM 354 CD1 ILE A 21 3.409 6.180 -7.947 1.00 0.00 C ATOM 0 H ILE A 21 -0.772 9.684 -9.149 1.00 0.00 H new ATOM 0 HA ILE A 21 1.555 9.655 -7.708 1.00 0.00 H new ATOM 0 HB ILE A 21 1.397 7.285 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.360 8.222 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.884 7.330 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.702 7.412 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.646 8.636 -10.962 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.798 9.109 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.831 5.806 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.712 5.446 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.211 6.351 -8.665 1.00 0.00 H new ATOM 366 N ALA A 22 1.493 10.099 -10.953 1.00 0.00 N ATOM 367 CA ALA A 22 1.727 11.080 -11.999 1.00 0.00 C ATOM 368 C ALA A 22 1.897 10.360 -13.339 1.00 0.00 C ATOM 369 O ALA A 22 0.922 9.884 -13.919 1.00 0.00 O ATOM 370 CB ALA A 22 2.946 11.931 -11.636 1.00 0.00 C ATOM 0 H ALA A 22 1.329 9.150 -11.288 1.00 0.00 H new ATOM 0 HA ALA A 22 0.875 11.753 -12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.122 12.667 -12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.764 12.444 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.821 11.289 -11.537 1.00 0.00 H new ATOM 376 N SER A 23 3.141 10.303 -13.790 1.00 0.00 N ATOM 377 CA SER A 23 3.451 9.650 -15.050 1.00 0.00 C ATOM 378 C SER A 23 3.174 8.149 -14.943 1.00 0.00 C ATOM 379 O SER A 23 2.278 7.630 -15.608 1.00 0.00 O ATOM 380 CB SER A 23 4.906 9.894 -15.455 1.00 0.00 C ATOM 381 OG SER A 23 5.299 9.077 -16.555 1.00 0.00 O ATOM 0 H SER A 23 3.947 10.699 -13.305 1.00 0.00 H new ATOM 0 HA SER A 23 2.812 10.077 -15.823 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.038 10.944 -15.718 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.557 9.694 -14.604 1.00 0.00 H new ATOM 0 HG SER A 23 6.233 9.264 -16.784 1.00 0.00 H new ATOM 387 N ASN A 24 3.960 7.493 -14.102 1.00 0.00 N ATOM 388 CA ASN A 24 3.811 6.062 -13.899 1.00 0.00 C ATOM 389 C ASN A 24 3.329 5.801 -12.471 1.00 0.00 C ATOM 390 O ASN A 24 4.138 5.598 -11.567 1.00 0.00 O ATOM 391 CB ASN A 24 5.145 5.337 -14.088 1.00 0.00 C ATOM 392 CG ASN A 24 5.169 4.569 -15.412 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.165 4.058 -15.881 1.00 0.00 O ATOM 394 ND2 ASN A 24 6.368 4.517 -15.985 1.00 0.00 N ATOM 0 H ASN A 24 4.702 7.926 -13.553 1.00 0.00 H new ATOM 0 HA ASN A 24 3.092 5.691 -14.630 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.961 6.059 -14.067 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.309 4.647 -13.260 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.489 4.027 -16.872 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.167 4.967 -15.538 1.00 0.00 H new ATOM 401 N ILE A 25 2.014 5.815 -12.312 1.00 0.00 N ATOM 402 CA ILE A 25 1.415 5.582 -11.009 1.00 0.00 C ATOM 403 C ILE A 25 1.845 4.208 -10.493 1.00 0.00 C ATOM 404 O ILE A 25 2.150 4.052 -9.311 1.00 0.00 O ATOM 405 CB ILE A 25 -0.102 5.767 -11.076 1.00 0.00 C ATOM 406 CG1 ILE A 25 -0.466 7.231 -11.333 1.00 0.00 C ATOM 407 CG2 ILE A 25 -0.777 5.222 -9.816 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.040 7.663 -12.738 1.00 0.00 C ATOM 0 H ILE A 25 1.346 5.984 -13.064 1.00 0.00 H new ATOM 0 HA ILE A 25 1.771 6.319 -10.289 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.479 5.189 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.541 7.368 -11.217 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.018 7.866 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.855 5.366 -9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.559 4.159 -9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.399 5.753 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.310 8.707 -12.895 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.039 7.548 -12.843 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.545 7.042 -13.478 1.00 0.00 H new ATOM 420 N LYS A 26 1.855 3.246 -11.404 1.00 0.00 N ATOM 421 CA LYS A 26 2.243 1.889 -11.056 1.00 0.00 C ATOM 422 C LYS A 26 3.753 1.840 -10.818 1.00 0.00 C ATOM 423 O LYS A 26 4.206 1.382 -9.770 1.00 0.00 O ATOM 424 CB LYS A 26 1.756 0.903 -12.119 1.00 0.00 C ATOM 425 CG LYS A 26 0.451 1.385 -12.757 1.00 0.00 C ATOM 426 CD LYS A 26 0.707 1.986 -14.141 1.00 0.00 C ATOM 427 CE LYS A 26 -0.100 3.271 -14.337 1.00 0.00 C ATOM 428 NZ LYS A 26 0.674 4.253 -15.131 1.00 0.00 N ATOM 0 H LYS A 26 1.601 3.379 -12.383 1.00 0.00 H new ATOM 0 HA LYS A 26 1.763 1.582 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.519 0.786 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.604 -0.078 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.246 0.551 -12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.019 2.130 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.770 2.198 -14.259 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.439 1.263 -14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.039 3.044 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.355 3.699 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.415 5.217 -14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.691 4.104 -14.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.460 4.128 -16.141 1.00 0.00 H new ATOM 442 N SER A 27 4.492 2.319 -11.808 1.00 0.00 N ATOM 443 CA SER A 27 5.942 2.336 -11.719 1.00 0.00 C ATOM 444 C SER A 27 6.385 3.203 -10.539 1.00 0.00 C ATOM 445 O SER A 27 6.882 2.690 -9.538 1.00 0.00 O ATOM 446 CB SER A 27 6.568 2.847 -13.018 1.00 0.00 C ATOM 447 OG SER A 27 7.221 4.101 -12.839 1.00 0.00 O ATOM 0 H SER A 27 4.114 2.698 -12.676 1.00 0.00 H new ATOM 0 HA SER A 27 6.286 1.314 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.285 2.114 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.794 2.947 -13.779 1.00 0.00 H new ATOM 0 HG SER A 27 7.742 4.316 -13.641 1.00 0.00 H new ATOM 453 N GLN A 28 6.188 4.504 -10.696 1.00 0.00 N ATOM 454 CA GLN A 28 6.560 5.448 -9.656 1.00 0.00 C ATOM 455 C GLN A 28 6.156 4.911 -8.282 1.00 0.00 C ATOM 456 O GLN A 28 6.904 5.045 -7.314 1.00 0.00 O ATOM 457 CB GLN A 28 5.936 6.821 -9.913 1.00 0.00 C ATOM 458 CG GLN A 28 6.033 7.709 -8.670 1.00 0.00 C ATOM 459 CD GLN A 28 6.466 9.128 -9.043 1.00 0.00 C ATOM 460 OE1 GLN A 28 6.581 9.485 -10.204 1.00 0.00 O ATOM 461 NE2 GLN A 28 6.700 9.914 -7.996 1.00 0.00 N ATOM 0 H GLN A 28 5.776 4.926 -11.528 1.00 0.00 H new ATOM 0 HA GLN A 28 7.643 5.569 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.442 7.303 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.891 6.702 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.068 7.740 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.747 7.280 -7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.584 9.551 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.995 10.880 -8.139 1.00 0.00 H new ATOM 470 N LYS A 29 4.974 4.313 -8.240 1.00 0.00 N ATOM 471 CA LYS A 29 4.462 3.755 -7.000 1.00 0.00 C ATOM 472 C LYS A 29 5.591 3.025 -6.269 1.00 0.00 C ATOM 473 O LYS A 29 6.209 3.581 -5.363 1.00 0.00 O ATOM 474 CB LYS A 29 3.238 2.878 -7.273 1.00 0.00 C ATOM 475 CG LYS A 29 3.067 1.820 -6.180 1.00 0.00 C ATOM 476 CD LYS A 29 2.928 0.423 -6.786 1.00 0.00 C ATOM 477 CE LYS A 29 2.591 -0.611 -5.710 1.00 0.00 C ATOM 478 NZ LYS A 29 1.623 -1.603 -6.228 1.00 0.00 N ATOM 0 H LYS A 29 4.357 4.203 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 29 4.116 4.550 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.345 3.500 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.344 2.391 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.925 1.845 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.186 2.050 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.147 0.429 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.857 0.145 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.501 -1.117 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.175 -0.111 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.671 -2.468 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.662 -1.208 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.855 -1.831 -7.216 1.00 0.00 H new ATOM 492 N CYS A 30 5.825 1.791 -6.691 1.00 0.00 N ATOM 493 CA CYS A 30 6.869 0.980 -6.087 1.00 0.00 C ATOM 494 C CYS A 30 8.113 1.062 -6.973 1.00 0.00 C ATOM 495 O CYS A 30 9.201 1.379 -6.494 1.00 0.00 O ATOM 496 CB CYS A 30 6.412 -0.465 -5.878 1.00 0.00 C ATOM 497 SG CYS A 30 6.780 -0.996 -4.166 1.00 0.00 S ATOM 0 H CYS A 30 5.310 1.333 -7.443 1.00 0.00 H new ATOM 0 HA CYS A 30 7.104 1.365 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.343 -0.549 -6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.917 -1.121 -6.587 1.00 0.00 H new ATOM 0 HG CYS A 30 6.584 -2.277 -4.057 1.00 0.00 H new ATOM 503 N LEU A 31 7.912 0.771 -8.250 1.00 0.00 N ATOM 504 CA LEU A 31 9.005 0.809 -9.207 1.00 0.00 C ATOM 505 C LEU A 31 10.001 1.895 -8.796 1.00 0.00 C ATOM 506 O LEU A 31 11.211 1.675 -8.825 1.00 0.00 O ATOM 507 CB LEU A 31 8.466 0.975 -10.629 1.00 0.00 C ATOM 508 CG LEU A 31 7.900 -0.286 -11.285 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.995 -1.334 -11.493 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.722 -0.841 -10.481 1.00 0.00 C ATOM 0 H LEU A 31 7.009 0.508 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 31 9.546 -0.137 -9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.684 1.734 -10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.269 1.358 -11.258 1.00 0.00 H new ATOM 0 HG LEU A 31 7.520 -0.017 -12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.566 -2.220 -11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.773 -0.924 -12.137 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.427 -1.605 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.338 -1.737 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.055 -1.091 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.933 -0.091 -10.427 1.00 0.00 H new ATOM 522 N GLN A 32 9.455 3.043 -8.422 1.00 0.00 N ATOM 523 CA GLN A 32 10.280 4.163 -8.005 1.00 0.00 C ATOM 524 C GLN A 32 10.756 3.966 -6.565 1.00 0.00 C ATOM 525 O GLN A 32 11.926 4.187 -6.257 1.00 0.00 O ATOM 526 CB GLN A 32 9.527 5.486 -8.157 1.00 0.00 C ATOM 527 CG GLN A 32 9.753 6.090 -9.545 1.00 0.00 C ATOM 528 CD GLN A 32 11.197 6.568 -9.706 1.00 0.00 C ATOM 529 OE1 GLN A 32 12.031 6.413 -8.829 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.445 7.156 -10.873 1.00 0.00 N ATOM 0 H GLN A 32 8.451 3.221 -8.399 1.00 0.00 H new ATOM 0 HA GLN A 32 11.155 4.204 -8.653 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.461 5.322 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.860 6.188 -7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.524 5.348 -10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.070 6.926 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.701 7.253 -11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.380 7.510 -11.077 1.00 0.00 H new ATOM 539 N LEU A 33 9.823 3.551 -5.719 1.00 0.00 N ATOM 540 CA LEU A 33 10.132 3.321 -4.318 1.00 0.00 C ATOM 541 C LEU A 33 11.350 2.402 -4.213 1.00 0.00 C ATOM 542 O LEU A 33 12.254 2.651 -3.417 1.00 0.00 O ATOM 543 CB LEU A 33 8.901 2.797 -3.577 1.00 0.00 C ATOM 544 CG LEU A 33 8.765 3.226 -2.115 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.272 2.067 -1.247 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.077 3.816 -1.592 1.00 0.00 C ATOM 0 H LEU A 33 8.853 3.368 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 33 10.396 4.258 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.011 3.124 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.915 1.708 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 33 8.013 4.013 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.184 2.399 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.298 1.733 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.982 1.242 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.953 4.113 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.867 3.068 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.347 4.688 -2.188 1.00 0.00 H new ATOM 558 N LEU A 34 11.335 1.357 -5.029 1.00 0.00 N ATOM 559 CA LEU A 34 12.428 0.399 -5.038 1.00 0.00 C ATOM 560 C LEU A 34 13.588 0.963 -5.859 1.00 0.00 C ATOM 561 O LEU A 34 14.725 0.513 -5.726 1.00 0.00 O ATOM 562 CB LEU A 34 11.938 -0.967 -5.522 1.00 0.00 C ATOM 563 CG LEU A 34 10.421 -1.167 -5.544 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.880 -1.097 -6.973 1.00 0.00 C ATOM 565 CD2 LEU A 34 10.030 -2.471 -4.845 1.00 0.00 C ATOM 0 H LEU A 34 10.584 1.153 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 34 12.802 0.238 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.321 -1.132 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.376 -1.735 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 34 9.960 -0.352 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.800 -1.242 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.110 -0.122 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.344 -1.877 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.947 -2.589 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.501 -3.312 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.364 -2.442 -3.808 1.00 0.00 H new ATOM 577 N LYS A 35 13.262 1.941 -6.692 1.00 0.00 N ATOM 578 CA LYS A 35 14.263 2.571 -7.535 1.00 0.00 C ATOM 579 C LYS A 35 15.358 3.177 -6.654 1.00 0.00 C ATOM 580 O LYS A 35 16.416 3.563 -7.150 1.00 0.00 O ATOM 581 CB LYS A 35 13.609 3.579 -8.482 1.00 0.00 C ATOM 582 CG LYS A 35 14.617 4.105 -9.506 1.00 0.00 C ATOM 583 CD LYS A 35 13.964 5.117 -10.449 1.00 0.00 C ATOM 584 CE LYS A 35 14.565 5.026 -11.853 1.00 0.00 C ATOM 585 NZ LYS A 35 13.495 4.903 -12.868 1.00 0.00 N ATOM 0 H LYS A 35 12.318 2.312 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 35 14.742 1.830 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.773 3.108 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.201 4.411 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.455 4.572 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.022 3.274 -10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.890 4.935 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.099 6.125 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.166 5.912 -12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.233 4.167 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.920 4.842 -13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.938 4.044 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.874 5.736 -12.820 1.00 0.00 H new ATOM 599 N GLY A 36 15.067 3.241 -5.364 1.00 0.00 N ATOM 600 CA GLY A 36 16.013 3.793 -4.409 1.00 0.00 C ATOM 601 C GLY A 36 17.354 3.060 -4.481 1.00 0.00 C ATOM 602 O GLY A 36 18.234 3.441 -5.252 1.00 0.00 O ATOM 0 H GLY A 36 14.189 2.920 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.163 4.854 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.605 3.715 -3.401 1.00 0.00 H new ATOM 606 N ASP A 37 17.469 2.021 -3.666 1.00 0.00 N ATOM 607 CA ASP A 37 18.688 1.231 -3.627 1.00 0.00 C ATOM 608 C ASP A 37 18.557 0.052 -4.593 1.00 0.00 C ATOM 609 O ASP A 37 17.708 0.064 -5.483 1.00 0.00 O ATOM 610 CB ASP A 37 18.936 0.669 -2.226 1.00 0.00 C ATOM 611 CG ASP A 37 20.301 1.009 -1.625 1.00 0.00 C ATOM 612 OD1 ASP A 37 21.261 0.277 -1.948 1.00 0.00 O ATOM 613 OD2 ASP A 37 20.353 1.994 -0.857 1.00 0.00 O ATOM 0 H ASP A 37 16.738 1.708 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 37 19.519 1.879 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.159 1.042 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.832 -0.415 -2.262 1.00 0.00 H new ATOM 618 N VAL A 38 19.411 -0.939 -4.386 1.00 0.00 N ATOM 619 CA VAL A 38 19.402 -2.124 -5.227 1.00 0.00 C ATOM 620 C VAL A 38 19.674 -3.359 -4.365 1.00 0.00 C ATOM 621 O VAL A 38 20.311 -3.261 -3.317 1.00 0.00 O ATOM 622 CB VAL A 38 20.405 -1.961 -6.371 1.00 0.00 C ATOM 623 CG1 VAL A 38 21.792 -2.457 -5.959 1.00 0.00 C ATOM 624 CG2 VAL A 38 19.919 -2.678 -7.632 1.00 0.00 C ATOM 0 H VAL A 38 20.115 -0.946 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 38 18.423 -2.258 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 38 20.483 -0.898 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.486 -2.330 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 38 22.144 -1.883 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 21.736 -3.512 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.650 -2.547 -8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.798 -3.741 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 38 18.963 -2.258 -7.943 1.00 0.00 H new ATOM 634 N SER A 39 19.177 -4.492 -4.838 1.00 0.00 N ATOM 635 CA SER A 39 19.359 -5.744 -4.123 1.00 0.00 C ATOM 636 C SER A 39 18.549 -6.854 -4.798 1.00 0.00 C ATOM 637 O SER A 39 18.395 -6.860 -6.018 1.00 0.00 O ATOM 638 CB SER A 39 18.949 -5.605 -2.656 1.00 0.00 C ATOM 639 OG SER A 39 19.884 -6.230 -1.779 1.00 0.00 O ATOM 0 H SER A 39 18.649 -4.570 -5.707 1.00 0.00 H new ATOM 0 HA SER A 39 20.417 -6.005 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.864 -4.548 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.964 -6.048 -2.511 1.00 0.00 H new ATOM 0 HG SER A 39 19.588 -6.118 -0.852 1.00 0.00 H new ATOM 645 N HIS A 40 18.053 -7.765 -3.974 1.00 0.00 N ATOM 646 CA HIS A 40 17.262 -8.876 -4.475 1.00 0.00 C ATOM 647 C HIS A 40 17.270 -10.014 -3.452 1.00 0.00 C ATOM 648 O HIS A 40 18.322 -10.578 -3.154 1.00 0.00 O ATOM 649 CB HIS A 40 17.757 -9.315 -5.855 1.00 0.00 C ATOM 650 CG HIS A 40 16.915 -8.805 -7.000 1.00 0.00 C ATOM 651 ND1 HIS A 40 17.443 -8.083 -8.055 1.00 0.00 N ATOM 652 CD2 HIS A 40 15.578 -8.922 -7.244 1.00 0.00 C ATOM 653 CE1 HIS A 40 16.460 -7.782 -8.890 1.00 0.00 C ATOM 654 NE2 HIS A 40 15.304 -8.302 -8.386 1.00 0.00 N ATOM 0 H HIS A 40 18.184 -7.756 -2.962 1.00 0.00 H new ATOM 0 HA HIS A 40 16.227 -8.561 -4.607 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.782 -8.969 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.781 -10.404 -5.892 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.863 -9.432 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.557 -7.223 -9.809 1.00 0.00 H new ATOM 0 HE2 HIS A 40 14.382 -8.227 -8.815 1.00 0.00 H new ATOM 662 N ARG A 41 16.085 -10.318 -2.943 1.00 0.00 N ATOM 663 CA ARG A 41 15.942 -11.378 -1.960 1.00 0.00 C ATOM 664 C ARG A 41 14.462 -11.664 -1.699 1.00 0.00 C ATOM 665 O ARG A 41 14.074 -12.813 -1.495 1.00 0.00 O ATOM 666 CB ARG A 41 16.623 -11.003 -0.642 1.00 0.00 C ATOM 667 CG ARG A 41 16.983 -9.516 -0.615 1.00 0.00 C ATOM 668 CD ARG A 41 17.579 -9.121 0.738 1.00 0.00 C ATOM 669 NE ARG A 41 19.016 -8.802 0.584 1.00 0.00 N ATOM 670 CZ ARG A 41 19.804 -8.387 1.585 1.00 0.00 C ATOM 671 NH1 ARG A 41 19.300 -8.238 2.817 1.00 0.00 N ATOM 672 NH2 ARG A 41 21.097 -8.122 1.353 1.00 0.00 N ATOM 0 H ARG A 41 15.215 -9.848 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 41 16.422 -12.270 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.962 -11.236 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.524 -11.602 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.697 -9.296 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.093 -8.919 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.048 -8.259 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.453 -9.935 1.452 1.00 0.00 H new ATOM 0 HE ARG A 41 19.432 -8.904 -0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.316 -8.441 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.900 -7.922 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 41 21.481 -8.236 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.697 -7.806 2.115 1.00 0.00 H new ATOM 686 N PHE A 42 13.675 -10.598 -1.713 1.00 0.00 N ATOM 687 CA PHE A 42 12.246 -10.719 -1.480 1.00 0.00 C ATOM 688 C PHE A 42 11.461 -10.536 -2.780 1.00 0.00 C ATOM 689 O PHE A 42 12.029 -10.163 -3.805 1.00 0.00 O ATOM 690 CB PHE A 42 11.857 -9.609 -0.501 1.00 0.00 C ATOM 691 CG PHE A 42 11.360 -8.330 -1.178 1.00 0.00 C ATOM 692 CD1 PHE A 42 11.829 -7.984 -2.406 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.449 -7.539 -0.550 1.00 0.00 C ATOM 694 CE1 PHE A 42 11.368 -6.796 -3.034 1.00 0.00 C ATOM 695 CE2 PHE A 42 9.988 -6.352 -1.178 1.00 0.00 C ATOM 696 CZ PHE A 42 10.457 -6.005 -2.406 1.00 0.00 C ATOM 0 H PHE A 42 14.000 -9.646 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 42 12.016 -11.708 -1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.079 -9.982 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.719 -9.368 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.552 -8.612 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.077 -7.814 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.741 -6.521 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.264 -5.724 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.106 -5.102 -2.883 1.00 0.00 H new ATOM 706 N ASP A 43 10.167 -10.806 -2.695 1.00 0.00 N ATOM 707 CA ASP A 43 9.298 -10.676 -3.852 1.00 0.00 C ATOM 708 C ASP A 43 8.425 -9.430 -3.691 1.00 0.00 C ATOM 709 O ASP A 43 7.697 -9.300 -2.707 1.00 0.00 O ATOM 710 CB ASP A 43 8.373 -11.887 -3.986 1.00 0.00 C ATOM 711 CG ASP A 43 8.668 -12.797 -5.180 1.00 0.00 C ATOM 712 OD1 ASP A 43 9.869 -13.032 -5.431 1.00 0.00 O ATOM 713 OD2 ASP A 43 7.685 -13.237 -5.815 1.00 0.00 O ATOM 0 H ASP A 43 9.699 -11.114 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 43 9.927 -10.603 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.439 -12.478 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.345 -11.533 -4.063 1.00 0.00 H new ATOM 718 N VAL A 44 8.525 -8.544 -4.671 1.00 0.00 N ATOM 719 CA VAL A 44 7.754 -7.313 -4.650 1.00 0.00 C ATOM 720 C VAL A 44 6.561 -7.448 -5.599 1.00 0.00 C ATOM 721 O VAL A 44 6.683 -8.026 -6.678 1.00 0.00 O ATOM 722 CB VAL A 44 8.656 -6.125 -4.989 1.00 0.00 C ATOM 723 CG1 VAL A 44 9.024 -6.122 -6.474 1.00 0.00 C ATOM 724 CG2 VAL A 44 7.997 -4.804 -4.585 1.00 0.00 C ATOM 0 H VAL A 44 9.129 -8.655 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 44 7.357 -7.128 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 44 9.577 -6.229 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.666 -5.267 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.553 -7.043 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.116 -6.054 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.659 -3.975 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.053 -4.690 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.809 -4.805 -3.511 1.00 0.00 H new ATOM 734 N GLU A 45 5.434 -6.904 -5.162 1.00 0.00 N ATOM 735 CA GLU A 45 4.220 -6.956 -5.959 1.00 0.00 C ATOM 736 C GLU A 45 3.686 -5.544 -6.205 1.00 0.00 C ATOM 737 O GLU A 45 3.273 -4.860 -5.269 1.00 0.00 O ATOM 738 CB GLU A 45 3.162 -7.834 -5.289 1.00 0.00 C ATOM 739 CG GLU A 45 2.714 -8.961 -6.221 1.00 0.00 C ATOM 740 CD GLU A 45 2.648 -10.296 -5.476 1.00 0.00 C ATOM 741 OE1 GLU A 45 1.683 -10.464 -4.699 1.00 0.00 O ATOM 742 OE2 GLU A 45 3.563 -11.117 -5.700 1.00 0.00 O ATOM 0 H GLU A 45 5.336 -6.425 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 45 4.460 -7.405 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.565 -8.257 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.302 -7.225 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.735 -8.725 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.407 -9.042 -7.059 1.00 0.00 H new ATOM 749 N ILE A 46 3.711 -5.148 -7.469 1.00 0.00 N ATOM 750 CA ILE A 46 3.234 -3.829 -7.850 1.00 0.00 C ATOM 751 C ILE A 46 1.953 -3.973 -8.675 1.00 0.00 C ATOM 752 O ILE A 46 2.007 -4.293 -9.861 1.00 0.00 O ATOM 753 CB ILE A 46 4.338 -3.044 -8.561 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.548 -2.848 -7.645 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.806 -1.715 -9.100 1.00 0.00 C ATOM 756 CD1 ILE A 46 6.307 -4.162 -7.451 1.00 0.00 C ATOM 0 H ILE A 46 4.054 -5.717 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 46 2.980 -3.246 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 46 4.674 -3.627 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.214 -2.099 -8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.219 -2.468 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.611 -1.177 -9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.001 -1.906 -9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.426 -1.113 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.162 -3.995 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.645 -4.902 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.656 -4.527 -8.417 1.00 0.00 H new ATOM 768 N ALA A 47 0.831 -3.729 -8.014 1.00 0.00 N ATOM 769 CA ALA A 47 -0.461 -3.828 -8.671 1.00 0.00 C ATOM 770 C ALA A 47 -1.399 -2.758 -8.107 1.00 0.00 C ATOM 771 O ALA A 47 -1.432 -2.532 -6.899 1.00 0.00 O ATOM 772 CB ALA A 47 -1.017 -5.242 -8.495 1.00 0.00 C ATOM 0 H ALA A 47 0.790 -3.463 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.361 -3.648 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.986 -5.316 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.329 -5.961 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.133 -5.458 -7.433 1.00 0.00 H new ATOM 778 N ASN A 48 -2.137 -2.129 -9.009 1.00 0.00 N ATOM 779 CA ASN A 48 -3.072 -1.088 -8.617 1.00 0.00 C ATOM 780 C ASN A 48 -4.447 -1.712 -8.366 1.00 0.00 C ATOM 781 O ASN A 48 -5.009 -2.359 -9.248 1.00 0.00 O ATOM 782 CB ASN A 48 -3.223 -0.039 -9.720 1.00 0.00 C ATOM 783 CG ASN A 48 -3.546 -0.698 -11.063 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.640 -1.184 -11.298 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.536 -0.686 -11.927 1.00 0.00 N ATOM 0 H ASN A 48 -2.107 -2.320 -10.010 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.687 -0.610 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.015 0.661 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.303 0.538 -9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.651 -1.101 -12.852 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.646 -0.262 -11.665 1.00 0.00 H new ATOM 792 N ARG A 49 -4.948 -1.496 -7.159 1.00 0.00 N ATOM 793 CA ARG A 49 -6.245 -2.029 -6.781 1.00 0.00 C ATOM 794 C ARG A 49 -6.780 -1.300 -5.547 1.00 0.00 C ATOM 795 O ARG A 49 -6.016 -0.682 -4.807 1.00 0.00 O ATOM 796 CB ARG A 49 -6.160 -3.527 -6.481 1.00 0.00 C ATOM 797 CG ARG A 49 -6.605 -4.354 -7.689 1.00 0.00 C ATOM 798 CD ARG A 49 -7.983 -3.907 -8.182 1.00 0.00 C ATOM 799 NE ARG A 49 -8.761 -5.079 -8.641 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.573 -5.692 -9.818 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.632 -5.248 -10.661 1.00 0.00 N ATOM 802 NH2 ARG A 49 -9.327 -6.748 -10.150 1.00 0.00 N ATOM 0 H ARG A 49 -4.479 -0.959 -6.430 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.923 -1.876 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.137 -3.790 -6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.787 -3.766 -5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.876 -4.251 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.636 -5.410 -7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.517 -3.397 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.872 -3.192 -8.997 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.486 -5.443 -8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.059 -4.444 -10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.489 -5.714 -11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.044 -7.085 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.185 -7.215 -11.046 1.00 0.00 H new ATOM 816 N PHE A 50 -8.089 -1.394 -5.364 1.00 0.00 N ATOM 817 CA PHE A 50 -8.735 -0.751 -4.232 1.00 0.00 C ATOM 818 C PHE A 50 -8.587 -1.594 -2.964 1.00 0.00 C ATOM 819 O PHE A 50 -9.151 -2.683 -2.869 1.00 0.00 O ATOM 820 CB PHE A 50 -10.220 -0.625 -4.577 1.00 0.00 C ATOM 821 CG PHE A 50 -10.938 -1.967 -4.732 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.951 -2.597 -5.937 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.564 -2.531 -3.664 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.618 -3.842 -6.081 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.230 -3.777 -3.807 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.243 -4.406 -5.013 1.00 0.00 C ATOM 0 H PHE A 50 -8.720 -1.906 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.277 0.220 -4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.716 -0.047 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.321 -0.061 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.454 -2.150 -6.785 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.554 -2.031 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.629 -4.341 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.726 -4.225 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.750 -5.353 -5.122 1.00 0.00 H new ATOM 836 N PRO A 51 -7.806 -1.044 -1.996 1.00 0.00 N ATOM 837 CA PRO A 51 -7.577 -1.734 -0.738 1.00 0.00 C ATOM 838 C PRO A 51 -8.810 -1.653 0.164 1.00 0.00 C ATOM 839 O PRO A 51 -8.782 -0.997 1.203 1.00 0.00 O ATOM 840 CB PRO A 51 -6.356 -1.058 -0.135 1.00 0.00 C ATOM 841 CG PRO A 51 -6.227 0.280 -0.846 1.00 0.00 C ATOM 842 CD PRO A 51 -7.122 0.244 -2.074 1.00 0.00 C ATOM 0 HA PRO A 51 -7.401 -2.802 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.477 -0.919 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.462 -1.665 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.521 1.094 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.191 0.461 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.832 1.071 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.539 0.328 -2.991 1.00 0.00 H new ATOM 850 N THR A 52 -9.864 -2.331 -0.267 1.00 0.00 N ATOM 851 CA THR A 52 -11.105 -2.345 0.488 1.00 0.00 C ATOM 852 C THR A 52 -10.884 -2.973 1.865 1.00 0.00 C ATOM 853 O THR A 52 -10.011 -3.823 2.031 1.00 0.00 O ATOM 854 CB THR A 52 -12.160 -3.072 -0.349 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.409 -3.699 -1.385 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.085 -2.106 -1.092 1.00 0.00 C ATOM 0 H THR A 52 -9.884 -2.875 -1.130 1.00 0.00 H new ATOM 0 HA THR A 52 -11.462 -1.333 0.680 1.00 0.00 H new ATOM 0 HB THR A 52 -12.754 -3.719 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.721 -3.377 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.814 -2.673 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.605 -1.474 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.496 -1.482 -1.764 1.00 0.00 H new ATOM 864 N TRP A 53 -11.691 -2.530 2.818 1.00 0.00 N ATOM 865 CA TRP A 53 -11.595 -3.038 4.176 1.00 0.00 C ATOM 866 C TRP A 53 -12.053 -4.498 4.169 1.00 0.00 C ATOM 867 O TRP A 53 -11.674 -5.275 5.043 1.00 0.00 O ATOM 868 CB TRP A 53 -12.395 -2.165 5.146 1.00 0.00 C ATOM 869 CG TRP A 53 -13.759 -1.728 4.609 1.00 0.00 C ATOM 870 CD1 TRP A 53 -14.955 -2.286 4.841 1.00 0.00 C ATOM 871 CD2 TRP A 53 -14.020 -0.610 3.734 1.00 0.00 C ATOM 872 NE1 TRP A 53 -15.964 -1.612 4.183 1.00 0.00 N ATOM 873 CE2 TRP A 53 -15.377 -0.561 3.489 1.00 0.00 C ATOM 874 CE3 TRP A 53 -13.139 0.329 3.170 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -15.974 0.408 2.673 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -13.751 1.291 2.357 1.00 0.00 C ATOM 877 CH2 TRP A 53 -15.116 1.354 2.100 1.00 0.00 C ATOM 0 H TRP A 53 -12.414 -1.825 2.677 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.565 -2.998 4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -12.541 -2.714 6.077 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -11.810 -1.278 5.387 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -15.110 -3.154 5.465 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -16.957 -1.843 4.203 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.074 0.310 3.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -17.039 0.425 2.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -13.119 2.036 1.897 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.512 2.129 1.461 1.00 0.00 H new ATOM 888 N ASP A 54 -12.862 -4.826 3.172 1.00 0.00 N ATOM 889 CA ASP A 54 -13.375 -6.178 3.039 1.00 0.00 C ATOM 890 C ASP A 54 -12.221 -7.173 3.177 1.00 0.00 C ATOM 891 O ASP A 54 -12.257 -8.056 4.033 1.00 0.00 O ATOM 892 CB ASP A 54 -14.021 -6.390 1.668 1.00 0.00 C ATOM 893 CG ASP A 54 -15.507 -6.036 1.592 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.802 -4.821 1.593 1.00 0.00 O ATOM 895 OD2 ASP A 54 -16.315 -6.988 1.534 1.00 0.00 O ATOM 0 H ASP A 54 -13.175 -4.178 2.449 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.122 -6.333 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.482 -5.792 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.897 -7.434 1.382 1.00 0.00 H new ATOM 900 N GLN A 55 -11.225 -6.997 2.321 1.00 0.00 N ATOM 901 CA GLN A 55 -10.062 -7.869 2.337 1.00 0.00 C ATOM 902 C GLN A 55 -9.067 -7.407 3.404 1.00 0.00 C ATOM 903 O GLN A 55 -8.508 -8.226 4.132 1.00 0.00 O ATOM 904 CB GLN A 55 -9.401 -7.925 0.959 1.00 0.00 C ATOM 905 CG GLN A 55 -9.677 -9.265 0.273 1.00 0.00 C ATOM 906 CD GLN A 55 -11.173 -9.586 0.278 1.00 0.00 C ATOM 907 OE1 GLN A 55 -12.008 -8.779 -0.096 1.00 0.00 O ATOM 908 NE2 GLN A 55 -11.463 -10.806 0.720 1.00 0.00 N ATOM 0 H GLN A 55 -11.199 -6.264 1.612 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.391 -8.877 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.775 -7.111 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.326 -7.779 1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.312 -9.234 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.130 -10.058 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.715 -11.432 1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.434 -11.116 0.761 1.00 0.00 H new ATOM 917 N LEU A 56 -8.877 -6.097 3.463 1.00 0.00 N ATOM 918 CA LEU A 56 -7.959 -5.517 4.428 1.00 0.00 C ATOM 919 C LEU A 56 -8.383 -5.928 5.839 1.00 0.00 C ATOM 920 O LEU A 56 -7.567 -5.932 6.760 1.00 0.00 O ATOM 921 CB LEU A 56 -7.862 -4.002 4.232 1.00 0.00 C ATOM 922 CG LEU A 56 -7.621 -3.176 5.497 1.00 0.00 C ATOM 923 CD1 LEU A 56 -6.869 -1.884 5.173 1.00 0.00 C ATOM 924 CD2 LEU A 56 -8.934 -2.906 6.235 1.00 0.00 C ATOM 0 H LEU A 56 -9.343 -5.421 2.858 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.951 -5.901 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.054 -3.798 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.785 -3.656 3.766 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.989 -3.757 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.711 -1.316 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.905 -2.126 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.455 -1.288 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.734 -2.317 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.612 -2.355 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.393 -3.853 6.519 1.00 0.00 H new ATOM 936 N GLN A 57 -9.658 -6.264 5.965 1.00 0.00 N ATOM 937 CA GLN A 57 -10.200 -6.677 7.249 1.00 0.00 C ATOM 938 C GLN A 57 -9.226 -7.619 7.958 1.00 0.00 C ATOM 939 O GLN A 57 -9.212 -7.694 9.186 1.00 0.00 O ATOM 940 CB GLN A 57 -11.573 -7.332 7.080 1.00 0.00 C ATOM 941 CG GLN A 57 -12.626 -6.627 7.937 1.00 0.00 C ATOM 942 CD GLN A 57 -12.730 -7.273 9.320 1.00 0.00 C ATOM 943 OE1 GLN A 57 -11.780 -7.829 9.846 1.00 0.00 O ATOM 944 NE2 GLN A 57 -13.934 -7.170 9.876 1.00 0.00 N ATOM 0 H GLN A 57 -10.332 -6.259 5.199 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.332 -5.790 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.870 -7.298 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.515 -8.384 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.368 -5.573 8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.594 -6.670 7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.686 -6.691 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.106 -7.570 10.798 1.00 0.00 H new ATOM 953 N TYR A 58 -8.436 -8.316 7.155 1.00 0.00 N ATOM 954 CA TYR A 58 -7.461 -9.251 7.691 1.00 0.00 C ATOM 955 C TYR A 58 -6.272 -8.510 8.306 1.00 0.00 C ATOM 956 O TYR A 58 -5.937 -8.725 9.470 1.00 0.00 O ATOM 957 CB TYR A 58 -6.971 -10.077 6.500 1.00 0.00 C ATOM 958 CG TYR A 58 -7.831 -11.308 6.201 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.874 -12.354 7.100 1.00 0.00 C ATOM 960 CD2 TYR A 58 -8.562 -11.371 5.032 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.683 -13.512 6.818 1.00 0.00 C ATOM 962 CE2 TYR A 58 -9.371 -12.529 4.751 1.00 0.00 C ATOM 963 CZ TYR A 58 -9.391 -13.542 5.658 1.00 0.00 C ATOM 964 OH TYR A 58 -10.155 -14.635 5.392 1.00 0.00 O ATOM 0 H TYR A 58 -8.451 -8.252 6.137 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.908 -9.867 8.472 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.945 -9.441 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.947 -10.399 6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.301 -12.304 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.527 -10.552 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.726 -14.338 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.949 -12.591 3.841 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.605 -14.517 4.530 1.00 0.00 H new ATOM 974 N MET A 59 -5.666 -7.654 7.497 1.00 0.00 N ATOM 975 CA MET A 59 -4.521 -6.881 7.947 1.00 0.00 C ATOM 976 C MET A 59 -4.948 -5.796 8.938 1.00 0.00 C ATOM 977 O MET A 59 -4.203 -5.463 9.858 1.00 0.00 O ATOM 978 CB MET A 59 -3.838 -6.231 6.742 1.00 0.00 C ATOM 979 CG MET A 59 -3.098 -7.275 5.903 1.00 0.00 C ATOM 980 SD MET A 59 -3.213 -6.860 4.171 1.00 0.00 S ATOM 981 CE MET A 59 -1.612 -7.416 3.611 1.00 0.00 C ATOM 0 H MET A 59 -5.946 -7.479 6.532 1.00 0.00 H new ATOM 0 HA MET A 59 -3.827 -7.554 8.450 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.582 -5.725 6.127 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.137 -5.470 7.084 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.052 -7.321 6.205 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.525 -8.263 6.078 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.692 -7.785 2.588 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.907 -6.586 3.643 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.258 -8.218 4.259 1.00 0.00 H new ATOM 991 N ARG A 60 -6.146 -5.275 8.716 1.00 0.00 N ATOM 992 CA ARG A 60 -6.680 -4.234 9.578 1.00 0.00 C ATOM 993 C ARG A 60 -6.579 -4.656 11.045 1.00 0.00 C ATOM 994 O ARG A 60 -6.293 -3.833 11.913 1.00 0.00 O ATOM 995 CB ARG A 60 -8.143 -3.936 9.240 1.00 0.00 C ATOM 996 CG ARG A 60 -9.080 -4.514 10.303 1.00 0.00 C ATOM 997 CD ARG A 60 -10.542 -4.227 9.958 1.00 0.00 C ATOM 998 NE ARG A 60 -10.968 -2.953 10.581 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.189 -2.418 10.438 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -13.111 -3.043 9.693 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -12.487 -1.259 11.041 1.00 0.00 N ATOM 0 H ARG A 60 -6.762 -5.554 7.952 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.090 -3.332 9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.291 -2.859 9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.388 -4.358 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.926 -5.590 10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.841 -4.085 11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.665 -4.172 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.174 -5.043 10.309 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.290 -2.451 11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.884 -3.926 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.040 -2.636 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.785 -0.784 11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.416 -0.852 10.932 1.00 0.00 H new ATOM 1015 N THR A 61 -6.819 -5.939 11.277 1.00 0.00 N ATOM 1016 CA THR A 61 -6.759 -6.480 12.624 1.00 0.00 C ATOM 1017 C THR A 61 -5.305 -6.590 13.089 1.00 0.00 C ATOM 1018 O THR A 61 -4.989 -6.260 14.231 1.00 0.00 O ATOM 1019 CB THR A 61 -7.502 -7.818 12.630 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.476 -8.235 11.267 1.00 0.00 O ATOM 1021 CG2 THR A 61 -8.991 -7.659 12.943 1.00 0.00 C ATOM 0 H THR A 61 -7.055 -6.619 10.554 1.00 0.00 H new ATOM 0 HA THR A 61 -7.247 -5.818 13.339 1.00 0.00 H new ATOM 0 HB THR A 61 -7.046 -8.483 13.363 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.548 -8.383 10.988 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.471 -8.638 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.110 -7.205 13.927 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.455 -7.021 12.191 1.00 0.00 H new ATOM 1029 N SER A 62 -4.460 -7.055 12.181 1.00 0.00 N ATOM 1030 CA SER A 62 -3.048 -7.213 12.485 1.00 0.00 C ATOM 1031 C SER A 62 -2.307 -5.900 12.225 1.00 0.00 C ATOM 1032 O SER A 62 -1.080 -5.880 12.151 1.00 0.00 O ATOM 1033 CB SER A 62 -2.430 -8.343 11.659 1.00 0.00 C ATOM 1034 OG SER A 62 -2.712 -8.204 10.269 1.00 0.00 O ATOM 0 H SER A 62 -4.726 -7.327 11.235 1.00 0.00 H new ATOM 0 HA SER A 62 -2.952 -7.475 13.539 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.351 -8.354 11.811 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.812 -9.301 12.012 1.00 0.00 H new ATOM 0 HG SER A 62 -2.299 -8.944 9.776 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.085 -4.835 12.095 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.517 -3.521 11.845 1.00 0.00 C ATOM 1042 C CYS A 63 -3.290 -2.498 12.681 1.00 0.00 C ATOM 1043 O CYS A 63 -4.518 -2.535 12.735 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.534 -3.171 10.356 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.079 -2.143 9.938 1.00 0.00 S ATOM 0 H CYS A 63 -4.103 -4.855 12.158 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.468 -3.513 12.140 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.528 -4.083 9.760 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.451 -2.635 10.110 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.208 -1.678 8.731 1.00 0.00 H new ATOM 1051 N PRO A 64 -2.518 -1.584 13.328 1.00 0.00 N ATOM 1052 CA PRO A 64 -3.116 -0.553 14.159 1.00 0.00 C ATOM 1053 C PRO A 64 -3.752 0.542 13.300 1.00 0.00 C ATOM 1054 O PRO A 64 -4.785 1.101 13.665 1.00 0.00 O ATOM 1055 CB PRO A 64 -1.980 -0.041 15.029 1.00 0.00 C ATOM 1056 CG PRO A 64 -0.698 -0.472 14.337 1.00 0.00 C ATOM 1057 CD PRO A 64 -1.060 -1.509 13.288 1.00 0.00 C ATOM 0 HA PRO A 64 -3.933 -0.930 14.775 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.024 1.043 15.130 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.040 -0.457 16.035 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.208 0.384 13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.004 -0.889 15.059 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.706 -1.214 12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.608 -2.475 13.513 1.00 0.00 H new ATOM 1065 N GLN A 65 -3.108 0.815 12.174 1.00 0.00 N ATOM 1066 CA GLN A 65 -3.598 1.833 11.261 1.00 0.00 C ATOM 1067 C GLN A 65 -4.723 1.269 10.390 1.00 0.00 C ATOM 1068 O GLN A 65 -5.543 2.020 9.865 1.00 0.00 O ATOM 1069 CB GLN A 65 -2.462 2.388 10.398 1.00 0.00 C ATOM 1070 CG GLN A 65 -2.479 3.917 10.385 1.00 0.00 C ATOM 1071 CD GLN A 65 -1.059 4.482 10.461 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -0.079 3.801 10.213 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -1.005 5.763 10.817 1.00 0.00 N ATOM 0 H GLN A 65 -2.252 0.349 11.874 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.000 2.658 11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.504 2.035 10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.557 2.011 9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.967 4.271 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.066 4.285 11.226 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.866 6.275 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.103 6.233 10.896 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.725 -0.050 10.264 1.00 0.00 N ATOM 1083 CA GLY A 66 -5.735 -0.724 9.467 1.00 0.00 C ATOM 1084 C GLY A 66 -6.115 0.112 8.243 1.00 0.00 C ATOM 1085 O GLY A 66 -5.267 0.411 7.403 1.00 0.00 O ATOM 0 H GLY A 66 -4.043 -0.670 10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.361 -1.696 9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.620 -0.908 10.075 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.424 0.475 8.178 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.926 1.271 7.071 1.00 0.00 C ATOM 1091 C PRO A 67 -7.492 2.732 7.204 1.00 0.00 C ATOM 1092 O PRO A 67 -7.230 3.398 6.204 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.435 1.094 7.112 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.758 0.588 8.509 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.457 0.139 9.154 1.00 0.00 C ATOM 0 HA PRO A 67 -7.526 0.952 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.944 2.036 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.766 0.384 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.226 1.374 9.101 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.466 -0.239 8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.288 0.650 10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.469 -0.930 9.366 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.429 3.186 8.447 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.031 4.556 8.724 1.00 0.00 C ATOM 1105 C VAL A 68 -5.779 4.892 7.912 1.00 0.00 C ATOM 1106 O VAL A 68 -5.577 6.042 7.524 1.00 0.00 O ATOM 1107 CB VAL A 68 -6.838 4.751 10.229 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -7.728 3.793 11.024 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -5.368 4.586 10.619 1.00 0.00 C ATOM 0 H VAL A 68 -7.647 2.630 9.274 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.813 5.251 8.418 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.137 5.769 10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.572 3.952 12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.774 3.979 10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.474 2.764 10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.258 4.730 11.694 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.030 3.585 10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.766 5.326 10.091 1.00 0.00 H new ATOM 1119 N SER A 69 -4.970 3.869 7.680 1.00 0.00 N ATOM 1120 CA SER A 69 -3.743 4.041 6.921 1.00 0.00 C ATOM 1121 C SER A 69 -4.065 4.194 5.433 1.00 0.00 C ATOM 1122 O SER A 69 -3.528 5.076 4.765 1.00 0.00 O ATOM 1123 CB SER A 69 -2.790 2.865 7.140 1.00 0.00 C ATOM 1124 OG SER A 69 -2.144 2.469 5.933 1.00 0.00 O ATOM 0 H SER A 69 -5.140 2.917 8.005 1.00 0.00 H new ATOM 0 HA SER A 69 -3.247 4.945 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.038 3.140 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.345 2.020 7.548 1.00 0.00 H new ATOM 0 HG SER A 69 -1.805 1.554 6.028 1.00 0.00 H new ATOM 1130 N LEU A 70 -4.940 3.320 4.957 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.339 3.346 3.560 1.00 0.00 C ATOM 1132 C LEU A 70 -6.175 4.600 3.297 1.00 0.00 C ATOM 1133 O LEU A 70 -5.925 5.327 2.337 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.047 2.044 3.181 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.190 0.777 3.228 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -3.798 1.035 2.649 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.126 0.211 4.648 1.00 0.00 C ATOM 0 H LEU A 70 -5.384 2.590 5.514 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.463 3.405 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.898 1.908 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.447 2.151 2.173 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.663 0.021 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.209 0.119 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.889 1.357 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.302 1.814 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.511 -0.689 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.689 0.953 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.132 -0.035 4.987 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.152 4.814 4.166 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.027 5.967 4.040 1.00 0.00 C ATOM 1151 C GLN A 71 -7.214 7.261 4.116 1.00 0.00 C ATOM 1152 O GLN A 71 -7.323 8.119 3.242 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.123 5.944 5.108 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.715 4.541 5.255 1.00 0.00 C ATOM 1155 CD GLN A 71 -9.599 3.757 3.946 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -9.999 4.207 2.885 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -9.032 2.561 4.080 1.00 0.00 N ATOM 0 H GLN A 71 -7.357 4.208 4.960 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.514 5.924 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.712 6.271 6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.910 6.649 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.197 4.006 6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.762 4.613 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.719 2.245 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.910 1.960 3.265 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.418 7.361 5.171 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.587 8.535 5.373 1.00 0.00 C ATOM 1168 C ARG A 72 -4.630 8.718 4.193 1.00 0.00 C ATOM 1169 O ARG A 72 -4.130 9.818 3.959 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.775 8.420 6.665 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.678 8.556 7.893 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.072 10.015 8.126 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.950 10.349 9.563 1.00 0.00 N ATOM 1174 CZ ARG A 72 -6.226 11.554 10.080 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -6.639 12.547 9.282 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -6.087 11.766 11.396 1.00 0.00 N ATOM 0 H ARG A 72 -6.331 6.648 5.895 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.247 9.399 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.261 7.459 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.007 9.193 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.574 7.951 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.162 8.170 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.433 10.672 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.096 10.182 7.791 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.636 9.616 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.744 12.386 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.849 13.464 9.676 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.771 11.010 12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.297 12.683 11.790 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.405 7.625 3.479 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.518 7.651 2.329 1.00 0.00 C ATOM 1192 C GLN A 73 -4.185 8.379 1.161 1.00 0.00 C ATOM 1193 O GLN A 73 -3.527 9.113 0.425 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.100 6.235 1.926 1.00 0.00 C ATOM 1195 CG GLN A 73 -1.991 6.269 0.873 1.00 0.00 C ATOM 1196 CD GLN A 73 -0.993 7.392 1.164 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -1.273 8.567 0.991 1.00 0.00 O ATOM 1198 NE2 GLN A 73 0.184 6.967 1.614 1.00 0.00 N ATOM 0 H GLN A 73 -4.822 6.715 3.675 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.615 8.196 2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.755 5.690 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.962 5.695 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.471 5.311 0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.427 6.412 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.353 5.969 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.918 7.639 1.837 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.483 8.151 1.026 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.246 8.776 -0.041 1.00 0.00 C ATOM 1209 C ILE A 74 -6.628 10.198 0.377 1.00 0.00 C ATOM 1210 O ILE A 74 -6.549 10.545 1.554 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.444 7.905 -0.424 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.410 7.550 -1.912 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.760 8.576 -0.025 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.824 7.476 -2.491 1.00 0.00 C ATOM 0 H ILE A 74 -6.026 7.542 1.638 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.641 8.860 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.378 6.970 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.830 8.297 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.906 6.593 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.595 7.936 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.775 8.736 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.849 9.535 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.771 7.222 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.394 6.712 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.316 8.441 -2.374 1.00 0.00 H new ATOM 1226 N PRO A 75 -7.046 11.002 -0.637 1.00 0.00 N ATOM 1227 CA PRO A 75 -7.441 12.378 -0.386 1.00 0.00 C ATOM 1228 C PRO A 75 -8.818 12.441 0.277 1.00 0.00 C ATOM 1229 O PRO A 75 -9.761 11.798 -0.180 1.00 0.00 O ATOM 1230 CB PRO A 75 -7.407 13.051 -1.749 1.00 0.00 C ATOM 1231 CG PRO A 75 -7.447 11.926 -2.771 1.00 0.00 C ATOM 1232 CD PRO A 75 -7.153 10.625 -2.043 1.00 0.00 C ATOM 0 HA PRO A 75 -6.776 12.886 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.256 13.723 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.505 13.652 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.424 11.882 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.712 12.098 -3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.949 9.896 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.230 10.170 -2.402 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.889 13.223 1.345 1.00 0.00 N ATOM 1241 CA LYS A 76 -10.135 13.378 2.076 1.00 0.00 C ATOM 1242 C LYS A 76 -10.340 12.168 2.990 1.00 0.00 C ATOM 1243 O LYS A 76 -11.296 11.413 2.820 1.00 0.00 O ATOM 1244 CB LYS A 76 -11.297 13.623 1.110 1.00 0.00 C ATOM 1245 CG LYS A 76 -12.130 14.829 1.549 1.00 0.00 C ATOM 1246 CD LYS A 76 -13.435 14.912 0.756 1.00 0.00 C ATOM 1247 CE LYS A 76 -14.202 16.192 1.093 1.00 0.00 C ATOM 1248 NZ LYS A 76 -15.631 16.049 0.735 1.00 0.00 N ATOM 0 H LYS A 76 -8.104 13.755 1.721 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.093 14.259 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.910 13.790 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.930 12.737 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.351 14.754 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.555 15.744 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.218 14.885 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.055 14.043 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.108 16.410 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.769 17.035 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.134 16.932 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.716 15.846 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.049 15.268 1.280 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.427 12.022 3.938 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.496 10.917 4.879 1.00 0.00 C ATOM 1264 C LEU A 77 -10.848 10.944 5.594 1.00 0.00 C ATOM 1265 O LEU A 77 -11.635 10.007 5.478 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.296 10.946 5.829 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.061 11.696 5.326 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -6.836 11.445 3.834 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -7.158 13.189 5.648 1.00 0.00 C ATOM 0 H LEU A 77 -8.635 12.650 4.075 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.433 9.965 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.613 11.397 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.008 9.918 6.050 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.189 11.309 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.952 11.990 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.690 10.378 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.705 11.788 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.268 13.699 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.042 13.608 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.234 13.324 6.727 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.075 12.030 6.319 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.318 12.192 7.054 1.00 0.00 C ATOM 1283 C ASP A 78 -13.491 11.784 6.160 1.00 0.00 C ATOM 1284 O ASP A 78 -14.548 11.396 6.655 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.526 13.650 7.470 1.00 0.00 C ATOM 1286 CG ASP A 78 -12.281 14.679 6.364 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -11.166 14.652 5.801 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -13.215 15.469 6.108 1.00 0.00 O ATOM 0 H ASP A 78 -10.419 12.806 6.413 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.267 11.566 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.547 13.766 7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.862 13.872 8.306 1.00 0.00 H new ATOM 1293 N SER A 79 -13.264 11.885 4.858 1.00 0.00 N ATOM 1294 CA SER A 79 -14.289 11.531 3.891 1.00 0.00 C ATOM 1295 C SER A 79 -14.278 10.021 3.646 1.00 0.00 C ATOM 1296 O SER A 79 -15.269 9.339 3.904 1.00 0.00 O ATOM 1297 CB SER A 79 -14.086 12.284 2.574 1.00 0.00 C ATOM 1298 OG SER A 79 -13.878 11.397 1.478 1.00 0.00 O ATOM 0 H SER A 79 -12.386 12.207 4.451 1.00 0.00 H new ATOM 0 HA SER A 79 -15.258 11.819 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.957 12.908 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.230 12.952 2.667 1.00 0.00 H new ATOM 0 HG SER A 79 -13.997 11.884 0.636 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.146 9.542 3.150 1.00 0.00 N ATOM 1305 CA VAL A 80 -12.993 8.125 2.868 1.00 0.00 C ATOM 1306 C VAL A 80 -12.797 7.366 4.181 1.00 0.00 C ATOM 1307 O VAL A 80 -13.319 6.265 4.350 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.848 7.910 1.876 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.534 8.465 2.427 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.709 6.430 1.512 1.00 0.00 C ATOM 0 H VAL A 80 -12.326 10.110 2.936 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.893 7.730 2.396 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.087 8.458 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.737 8.299 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.640 9.534 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.288 7.958 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.888 6.305 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.504 5.851 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.635 6.078 1.058 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.041 7.983 5.078 1.00 0.00 N ATOM 1321 CA LEU A 81 -11.769 7.380 6.371 1.00 0.00 C ATOM 1322 C LEU A 81 -13.093 7.041 7.059 1.00 0.00 C ATOM 1323 O LEU A 81 -13.119 6.267 8.015 1.00 0.00 O ATOM 1324 CB LEU A 81 -10.857 8.283 7.203 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.561 9.317 8.085 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.445 8.634 9.131 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.550 10.271 8.724 1.00 0.00 C ATOM 0 H LEU A 81 -11.608 8.895 4.934 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.224 6.444 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.238 7.652 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.184 8.810 6.526 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.215 9.917 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.934 9.391 9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.201 8.030 8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.831 7.994 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.076 10.996 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.853 9.703 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.000 10.795 7.942 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.160 7.637 6.546 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.483 7.407 7.100 1.00 0.00 C ATOM 1341 C LYS A 82 -16.322 6.616 6.094 1.00 0.00 C ATOM 1342 O LYS A 82 -16.108 5.419 5.907 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.122 8.731 7.527 1.00 0.00 C ATOM 1344 CG LYS A 82 -17.403 8.488 8.327 1.00 0.00 C ATOM 1345 CD LYS A 82 -17.099 7.773 9.646 1.00 0.00 C ATOM 1346 CE LYS A 82 -17.926 6.493 9.778 1.00 0.00 C ATOM 1347 NZ LYS A 82 -18.699 6.503 11.041 1.00 0.00 N ATOM 0 H LYS A 82 -14.135 8.278 5.753 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.418 6.804 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.416 9.302 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.348 9.331 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.895 9.439 8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.097 7.890 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.037 7.531 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.315 8.438 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.605 6.403 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.268 5.624 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.255 5.627 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.046 6.567 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -19.340 7.322 11.049 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.259 7.317 5.473 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.131 6.695 4.491 1.00 0.00 C ATOM 1363 C TYR A 83 -18.279 7.580 3.251 1.00 0.00 C ATOM 1364 O TYR A 83 -19.028 7.248 2.333 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.495 6.553 5.168 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.683 5.233 5.919 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -19.468 4.034 5.270 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -20.068 5.242 7.244 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -19.645 2.792 5.977 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.245 4.000 7.950 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.025 2.836 7.282 1.00 0.00 C ATOM 1372 OH TYR A 83 -20.192 1.663 7.949 1.00 0.00 O ATOM 0 H TYR A 83 -17.433 8.310 5.631 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.724 5.737 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.630 7.379 5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.275 6.644 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.167 4.027 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -20.236 6.180 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -19.480 1.847 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -20.546 3.993 8.987 1.00 0.00 H new ATOM 0 HH TYR A 83 -20.463 1.848 8.872 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.554 8.688 3.264 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.596 9.623 2.152 1.00 0.00 C ATOM 1384 C LYS A 84 -17.089 8.927 0.888 1.00 0.00 C ATOM 1385 O LYS A 84 -17.344 7.742 0.682 1.00 0.00 O ATOM 1386 CB LYS A 84 -16.832 10.902 2.499 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.637 12.144 2.111 1.00 0.00 C ATOM 1388 CD LYS A 84 -18.214 12.005 0.701 1.00 0.00 C ATOM 1389 CE LYS A 84 -17.408 12.829 -0.305 1.00 0.00 C ATOM 1390 NZ LYS A 84 -18.314 13.576 -1.207 1.00 0.00 N ATOM 0 H LYS A 84 -16.934 8.960 4.027 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.621 9.936 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.617 10.923 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.873 10.909 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.446 12.295 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.998 13.026 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.209 10.956 0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -19.253 12.333 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.757 13.525 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.764 12.172 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.844 13.730 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.186 13.029 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.550 14.494 -0.780 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.380 9.695 0.072 1.00 0.00 N ATOM 1405 CA HIS A 85 -15.835 9.167 -1.167 1.00 0.00 C ATOM 1406 C HIS A 85 -15.587 7.664 -1.019 1.00 0.00 C ATOM 1407 O HIS A 85 -15.705 6.914 -1.987 1.00 0.00 O ATOM 1408 CB HIS A 85 -14.579 9.938 -1.580 1.00 0.00 C ATOM 1409 CG HIS A 85 -14.853 11.339 -2.071 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -14.131 12.439 -1.640 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -15.774 11.808 -2.960 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -14.607 13.516 -2.248 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -15.625 13.123 -3.066 1.00 0.00 N ATOM 0 H HIS A 85 -16.171 10.678 0.245 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.556 9.303 -1.973 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.900 9.988 -0.729 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.066 9.383 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.502 11.211 -3.489 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.251 14.527 -2.118 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -16.180 13.738 -3.661 1.00 0.00 H new ATOM 1421 N THR A 86 -15.247 7.270 0.199 1.00 0.00 N ATOM 1422 CA THR A 86 -14.981 5.871 0.485 1.00 0.00 C ATOM 1423 C THR A 86 -16.077 4.986 -0.112 1.00 0.00 C ATOM 1424 O THR A 86 -15.834 3.825 -0.438 1.00 0.00 O ATOM 1425 CB THR A 86 -14.835 5.718 2.001 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.095 4.337 2.237 1.00 0.00 O ATOM 1427 CG2 THR A 86 -15.940 6.442 2.771 1.00 0.00 C ATOM 0 H THR A 86 -15.150 7.895 0.999 1.00 0.00 H new ATOM 0 HA THR A 86 -14.052 5.542 0.019 1.00 0.00 H new ATOM 0 HB THR A 86 -13.864 6.102 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.414 3.794 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.790 6.302 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.910 7.506 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.910 6.035 2.485 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.260 5.569 -0.238 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.394 4.849 -0.790 1.00 0.00 C ATOM 1437 C ASP A 87 -17.924 3.991 -1.967 1.00 0.00 C ATOM 1438 O ASP A 87 -16.744 3.658 -2.065 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.462 5.815 -1.306 1.00 0.00 C ATOM 1440 CG ASP A 87 -19.446 7.202 -0.661 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -18.697 8.059 -1.178 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -20.181 7.373 0.335 1.00 0.00 O ATOM 0 H ASP A 87 -17.457 6.532 0.033 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.819 4.231 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.336 5.930 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -20.443 5.368 -1.146 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.897 3.650 -2.855 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.594 2.838 -4.021 1.00 0.00 C ATOM 1449 C PRO A 88 -17.863 3.658 -5.085 1.00 0.00 C ATOM 1450 O PRO A 88 -17.942 3.351 -6.274 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.940 2.315 -4.496 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.986 3.221 -3.865 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.305 4.027 -2.771 1.00 0.00 C ATOM 0 HA PRO A 88 -17.918 2.013 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.007 2.340 -5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.086 1.279 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.419 3.884 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.803 2.630 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.438 5.098 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.720 3.793 -1.790 1.00 0.00 H new ATOM 1461 N THR A 89 -17.167 4.686 -4.620 1.00 0.00 N ATOM 1462 CA THR A 89 -16.422 5.552 -5.517 1.00 0.00 C ATOM 1463 C THR A 89 -14.967 5.089 -5.620 1.00 0.00 C ATOM 1464 O THR A 89 -14.399 5.052 -6.711 1.00 0.00 O ATOM 1465 CB THR A 89 -16.567 6.990 -5.015 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.739 7.757 -6.204 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.273 7.532 -4.406 1.00 0.00 C ATOM 0 H THR A 89 -17.104 4.938 -3.634 1.00 0.00 H new ATOM 0 HA THR A 89 -16.818 5.505 -6.531 1.00 0.00 H new ATOM 0 HB THR A 89 -17.364 7.036 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 89 -16.842 8.703 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.432 8.555 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.980 6.910 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.483 7.518 -5.157 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.406 4.747 -4.470 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.028 4.288 -4.417 1.00 0.00 C ATOM 1477 C PHE A 90 -12.963 2.775 -4.200 1.00 0.00 C ATOM 1478 O PHE A 90 -12.023 2.120 -4.649 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.368 4.991 -3.228 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.830 6.386 -3.551 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.922 6.551 -4.549 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -12.261 7.462 -2.839 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.423 7.847 -4.848 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.762 8.757 -3.138 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.854 8.922 -4.136 1.00 0.00 C ATOM 0 H PHE A 90 -14.880 4.778 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.523 4.516 -5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.093 5.071 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.548 4.372 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.580 5.697 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.983 7.331 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.701 7.978 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -12.104 9.611 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.475 9.907 -4.363 1.00 0.00 H new ATOM 1495 N GLY A 91 -13.973 2.264 -3.512 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.042 0.840 -3.231 1.00 0.00 C ATOM 1497 C GLY A 91 -13.768 0.018 -4.492 1.00 0.00 C ATOM 1498 O GLY A 91 -12.626 -0.078 -4.939 1.00 0.00 O ATOM 0 H GLY A 91 -14.750 2.810 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.316 0.582 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.027 0.591 -2.837 1.00 0.00 H new ATOM 1502 N MET A 92 -14.835 -0.555 -5.029 1.00 0.00 N ATOM 1503 CA MET A 92 -14.724 -1.366 -6.230 1.00 0.00 C ATOM 1504 C MET A 92 -13.583 -0.872 -7.122 1.00 0.00 C ATOM 1505 O MET A 92 -12.730 -1.655 -7.535 1.00 0.00 O ATOM 1506 CB MET A 92 -16.041 -1.310 -7.007 1.00 0.00 C ATOM 1507 CG MET A 92 -16.475 0.137 -7.248 1.00 0.00 C ATOM 1508 SD MET A 92 -17.186 0.816 -5.758 1.00 0.00 S ATOM 1509 CE MET A 92 -15.955 2.047 -5.361 1.00 0.00 C ATOM 0 H MET A 92 -15.780 -0.474 -4.655 1.00 0.00 H new ATOM 0 HA MET A 92 -14.510 -2.393 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.926 -1.823 -7.962 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.817 -1.839 -6.453 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.618 0.736 -7.558 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.202 0.177 -8.059 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.082 2.369 -4.327 1.00 0.00 H new ATOM 0 HE2 MET A 92 -14.960 1.621 -5.489 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.070 2.904 -6.024 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.605 0.425 -7.392 1.00 0.00 N ATOM 1520 CA ASP A 93 -12.583 1.033 -8.227 1.00 0.00 C ATOM 1521 C ASP A 93 -11.972 2.226 -7.490 1.00 0.00 C ATOM 1522 O ASP A 93 -12.563 3.303 -7.448 1.00 0.00 O ATOM 1523 CB ASP A 93 -13.178 1.543 -9.542 1.00 0.00 C ATOM 1524 CG ASP A 93 -12.674 2.917 -9.989 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.448 3.134 -9.883 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -13.527 3.719 -10.426 1.00 0.00 O ATOM 0 H ASP A 93 -14.314 1.072 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.829 0.276 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.960 0.819 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.262 1.586 -9.441 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.795 1.993 -6.928 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.096 3.035 -6.195 1.00 0.00 C ATOM 1533 C LEU A 94 -8.981 3.609 -7.071 1.00 0.00 C ATOM 1534 O LEU A 94 -8.541 4.739 -6.862 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.607 2.505 -4.846 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.097 2.567 -4.608 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.345 1.724 -5.640 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.605 4.015 -4.582 1.00 0.00 C ATOM 0 H LEU A 94 -10.308 1.098 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.773 3.857 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.103 3.068 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.928 1.468 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.887 2.139 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.274 1.785 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.668 0.686 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.557 2.100 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.529 4.031 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.828 4.492 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.107 4.556 -3.780 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.555 2.805 -8.034 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.500 3.218 -8.943 1.00 0.00 C ATOM 1552 C GLN A 95 -8.017 4.289 -9.905 1.00 0.00 C ATOM 1553 O GLN A 95 -7.543 5.424 -9.889 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.934 2.020 -9.708 1.00 0.00 C ATOM 1555 CG GLN A 95 -7.899 0.834 -9.660 1.00 0.00 C ATOM 1556 CD GLN A 95 -7.495 -0.243 -10.669 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -6.713 -0.016 -11.578 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -8.071 -1.424 -10.460 1.00 0.00 N ATOM 0 H GLN A 95 -8.922 1.869 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.689 3.647 -8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.748 2.301 -10.745 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.975 1.730 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.911 0.410 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.912 1.176 -9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.717 -1.546 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.867 -2.208 -11.080 1.00 0.00 H new ATOM 1567 N LYS A 96 -8.983 3.891 -10.719 1.00 0.00 N ATOM 1568 CA LYS A 96 -9.570 4.802 -11.687 1.00 0.00 C ATOM 1569 C LYS A 96 -9.941 6.111 -10.987 1.00 0.00 C ATOM 1570 O LYS A 96 -10.072 7.149 -11.634 1.00 0.00 O ATOM 1571 CB LYS A 96 -10.743 4.136 -12.408 1.00 0.00 C ATOM 1572 CG LYS A 96 -10.407 2.691 -12.783 1.00 0.00 C ATOM 1573 CD LYS A 96 -8.997 2.590 -13.367 1.00 0.00 C ATOM 1574 CE LYS A 96 -8.875 3.415 -14.650 1.00 0.00 C ATOM 1575 NZ LYS A 96 -9.629 2.776 -15.751 1.00 0.00 N ATOM 0 H LYS A 96 -9.374 2.949 -10.728 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.848 5.049 -12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.625 4.154 -11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.990 4.701 -13.307 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.486 2.055 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.132 2.322 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.270 2.941 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.760 1.547 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.254 4.423 -14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.826 3.512 -14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.414 3.260 -16.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.355 1.775 -15.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.649 2.843 -15.558 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.100 6.020 -9.675 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.453 7.184 -8.881 1.00 0.00 C ATOM 1591 C CYS A 97 -9.161 7.872 -8.436 1.00 0.00 C ATOM 1592 O CYS A 97 -8.975 9.065 -8.673 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.339 6.810 -7.691 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.596 8.111 -7.413 1.00 0.00 S ATOM 0 H CYS A 97 -9.991 5.157 -9.142 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.042 7.874 -9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.828 5.854 -7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.728 6.686 -6.797 1.00 0.00 H new ATOM 0 HG CYS A 97 -12.411 8.651 -6.245 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.302 7.091 -7.798 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.033 7.611 -7.318 1.00 0.00 C ATOM 1602 C VAL A 98 -6.061 7.737 -8.493 1.00 0.00 C ATOM 1603 O VAL A 98 -5.587 8.831 -8.796 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.497 6.724 -6.192 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -5.018 7.012 -5.924 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -7.328 6.893 -4.918 1.00 0.00 C ATOM 0 H VAL A 98 -8.460 6.102 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.164 8.607 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.583 5.686 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.662 6.368 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.440 6.817 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.897 8.056 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.926 6.252 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.288 7.933 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.363 6.615 -5.119 1.00 0.00 H new ATOM 1616 N GLN A 99 -5.792 6.603 -9.122 1.00 0.00 N ATOM 1617 CA GLN A 99 -4.885 6.573 -10.257 1.00 0.00 C ATOM 1618 C GLN A 99 -5.198 7.723 -11.216 1.00 0.00 C ATOM 1619 O GLN A 99 -4.359 8.101 -12.033 1.00 0.00 O ATOM 1620 CB GLN A 99 -4.953 5.225 -10.977 1.00 0.00 C ATOM 1621 CG GLN A 99 -4.764 4.068 -9.994 1.00 0.00 C ATOM 1622 CD GLN A 99 -3.284 3.710 -9.847 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -2.593 3.407 -10.806 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -2.837 3.760 -8.595 1.00 0.00 N ATOM 0 H GLN A 99 -6.186 5.697 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.867 6.700 -9.888 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.915 5.126 -11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.184 5.181 -11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.174 4.341 -9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.320 3.197 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.469 4.021 -7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.863 3.537 -8.392 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.407 8.249 -11.086 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.840 9.348 -11.931 1.00 0.00 C ATOM 1635 C ARG A 100 -8.302 9.696 -11.641 1.00 0.00 C ATOM 1636 O ARG A 100 -9.205 9.213 -12.323 1.00 0.00 O ATOM 1637 CB ARG A 100 -6.691 8.997 -13.412 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.852 10.240 -14.290 1.00 0.00 C ATOM 1639 CD ARG A 100 -8.142 10.168 -15.110 1.00 0.00 C ATOM 1640 NE ARG A 100 -8.780 11.502 -15.168 1.00 0.00 N ATOM 1641 CZ ARG A 100 -10.071 11.706 -15.462 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -10.870 10.663 -15.728 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -10.564 12.951 -15.491 1.00 0.00 N ATOM 0 H ARG A 100 -7.100 7.934 -10.408 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.207 10.207 -11.708 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.713 8.549 -13.586 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.437 8.252 -13.690 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.864 11.133 -13.664 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.996 10.331 -14.959 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.923 9.817 -16.118 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.827 9.447 -14.663 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.200 12.318 -14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.495 9.715 -15.706 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.853 10.818 -15.952 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.956 13.745 -15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.547 13.105 -15.715 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.489 10.531 -10.630 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.826 10.949 -10.242 1.00 0.00 C ATOM 1659 C GLY A 101 -9.831 11.519 -8.822 1.00 0.00 C ATOM 1660 O GLY A 101 -8.829 11.441 -8.114 1.00 0.00 O ATOM 0 H GLY A 101 -7.737 10.930 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.193 11.701 -10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.507 10.100 -10.300 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.972 12.080 -8.449 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.121 12.664 -7.126 1.00 0.00 C ATOM 1666 C LEU A 102 -9.901 13.533 -6.816 1.00 0.00 C ATOM 1667 O LEU A 102 -9.872 14.714 -7.160 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.379 11.573 -6.085 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.248 11.976 -4.892 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.391 10.979 -4.684 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.401 12.147 -3.630 1.00 0.00 C ATOM 0 H LEU A 102 -11.802 12.143 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.994 13.316 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.852 10.727 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.418 11.224 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.700 12.943 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.993 11.289 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.015 10.950 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.979 9.987 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.043 12.434 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.902 11.207 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.654 12.923 -3.796 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.923 12.915 -6.170 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.704 13.618 -5.810 1.00 0.00 C ATOM 1685 C TRP A 103 -6.533 12.646 -5.970 1.00 0.00 C ATOM 1686 O TRP A 103 -6.714 11.432 -5.889 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.805 14.205 -4.401 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.122 15.701 -4.371 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.521 16.686 -5.052 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -9.149 16.347 -3.589 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -8.082 17.914 -4.767 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -9.104 17.701 -3.849 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -10.085 15.804 -2.691 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -9.970 18.626 -3.253 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -10.943 16.741 -2.103 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -10.911 18.108 -2.355 1.00 0.00 C ATOM 0 H TRP A 103 -8.950 11.935 -5.887 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.542 14.471 -6.469 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.578 13.669 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.864 14.033 -3.879 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.700 16.537 -5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.799 18.813 -5.158 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.138 14.748 -2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -9.915 19.682 -3.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -11.682 16.376 -1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -11.609 18.767 -1.860 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.358 13.217 -6.195 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.158 12.416 -6.368 1.00 0.00 C ATOM 1709 C ASN A 104 -3.343 12.441 -5.073 1.00 0.00 C ATOM 1710 O ASN A 104 -2.705 13.445 -4.757 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.281 12.973 -7.490 1.00 0.00 C ATOM 1712 CG ASN A 104 -4.097 13.193 -8.766 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -5.274 12.883 -8.842 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -3.407 13.745 -9.760 1.00 0.00 N ATOM 0 H ASN A 104 -5.212 14.224 -6.261 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.463 11.401 -6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.834 13.915 -7.173 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.462 12.283 -7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.862 13.933 -10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.423 13.980 -9.629 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.391 11.297 -4.341 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.664 11.178 -3.088 1.00 0.00 C ATOM 1723 C PRO A 105 -1.166 10.997 -3.338 1.00 0.00 C ATOM 1724 O PRO A 105 -0.369 11.022 -2.402 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.295 9.993 -2.377 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.032 9.208 -3.450 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.135 10.088 -4.685 1.00 0.00 C ATOM 0 HA PRO A 105 -2.734 12.076 -2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.536 9.377 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.979 10.325 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.499 8.286 -3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.024 8.923 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.708 9.596 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.174 10.316 -4.923 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.827 10.818 -4.607 1.00 0.00 N ATOM 1736 CA LYS A 106 0.561 10.632 -4.992 1.00 0.00 C ATOM 1737 C LYS A 106 1.283 9.829 -3.909 1.00 0.00 C ATOM 1738 O LYS A 106 2.311 10.263 -3.390 1.00 0.00 O ATOM 1739 CB LYS A 106 1.217 11.980 -5.298 1.00 0.00 C ATOM 1740 CG LYS A 106 0.209 13.123 -5.167 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.001 13.503 -3.700 1.00 0.00 C ATOM 1742 CE LYS A 106 1.247 13.196 -2.870 1.00 0.00 C ATOM 1743 NZ LYS A 106 1.099 13.724 -1.496 1.00 0.00 N ATOM 0 H LYS A 106 -1.491 10.798 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 106 0.626 10.055 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.051 12.146 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.629 11.967 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.563 13.990 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.742 12.826 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.239 14.564 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.854 12.956 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.412 12.119 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.124 13.638 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.955 13.507 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.963 14.754 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.274 13.282 -1.041 1.00 0.00 H new ATOM 1757 N GLU A 107 0.718 8.671 -3.599 1.00 0.00 N ATOM 1758 CA GLU A 107 1.295 7.803 -2.587 1.00 0.00 C ATOM 1759 C GLU A 107 1.205 6.341 -3.027 1.00 0.00 C ATOM 1760 O GLU A 107 0.383 5.993 -3.874 1.00 0.00 O ATOM 1761 CB GLU A 107 0.613 8.011 -1.233 1.00 0.00 C ATOM 1762 CG GLU A 107 1.160 9.254 -0.529 1.00 0.00 C ATOM 1763 CD GLU A 107 2.660 9.118 -0.262 1.00 0.00 C ATOM 1764 OE1 GLU A 107 3.434 9.453 -1.185 1.00 0.00 O ATOM 1765 OE2 GLU A 107 3.000 8.682 0.859 1.00 0.00 O ATOM 0 H GLU A 107 -0.134 8.314 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 107 2.347 8.063 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.463 8.113 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.769 7.134 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.975 10.135 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.632 9.405 0.412 1.00 0.00 H new ATOM 1772 N ALA A 108 2.062 5.523 -2.433 1.00 0.00 N ATOM 1773 CA ALA A 108 2.089 4.106 -2.754 1.00 0.00 C ATOM 1774 C ALA A 108 1.599 3.305 -1.546 1.00 0.00 C ATOM 1775 O ALA A 108 1.985 3.586 -0.413 1.00 0.00 O ATOM 1776 CB ALA A 108 3.502 3.707 -3.184 1.00 0.00 C ATOM 0 H ALA A 108 2.743 5.815 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 108 1.421 3.888 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.523 2.644 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.791 4.284 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.200 3.908 -2.371 1.00 0.00 H new ATOM 1782 N LEU A 109 0.756 2.323 -1.831 1.00 0.00 N ATOM 1783 CA LEU A 109 0.209 1.479 -0.782 1.00 0.00 C ATOM 1784 C LEU A 109 1.110 0.257 -0.595 1.00 0.00 C ATOM 1785 O LEU A 109 1.541 -0.356 -1.571 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.250 1.128 -1.083 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.299 1.812 -0.205 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -1.693 2.992 0.557 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -3.518 2.228 -1.030 1.00 0.00 C ATOM 0 H LEU A 109 0.439 2.093 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 109 0.195 2.013 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.456 1.379 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.371 0.049 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.643 1.092 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.461 3.460 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.883 2.636 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.303 3.722 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.248 2.712 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.209 2.923 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.967 1.346 -1.487 1.00 0.00 H new ATOM 1801 N TRP A 110 1.368 -0.061 0.665 1.00 0.00 N ATOM 1802 CA TRP A 110 2.210 -1.199 0.992 1.00 0.00 C ATOM 1803 C TRP A 110 1.431 -2.103 1.949 1.00 0.00 C ATOM 1804 O TRP A 110 1.079 -1.689 3.053 1.00 0.00 O ATOM 1805 CB TRP A 110 3.553 -0.741 1.563 1.00 0.00 C ATOM 1806 CG TRP A 110 3.527 -0.456 3.066 1.00 0.00 C ATOM 1807 CD1 TRP A 110 3.257 0.703 3.682 1.00 0.00 C ATOM 1808 CD2 TRP A 110 3.793 -1.401 4.125 1.00 0.00 C ATOM 1809 NE1 TRP A 110 3.329 0.575 5.054 1.00 0.00 N ATOM 1810 CE2 TRP A 110 3.665 -0.745 5.332 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.130 -2.764 4.064 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 3.857 -1.371 6.569 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.318 -3.376 5.309 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.193 -2.730 6.533 1.00 0.00 C ATOM 0 H TRP A 110 1.009 0.450 1.472 1.00 0.00 H new ATOM 0 HA TRP A 110 2.454 -1.769 0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.302 -1.507 1.362 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.871 0.160 1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 110 3.014 1.622 3.169 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.166 1.313 5.739 1.00 0.00 H new ATOM 0 HE3 TRP A 110 4.236 -3.297 3.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 3.752 -0.835 7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.579 -4.424 5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.354 -3.274 7.452 1.00 0.00 H new ATOM 1825 N VAL A 111 1.185 -3.322 1.492 1.00 0.00 N ATOM 1826 CA VAL A 111 0.455 -4.289 2.294 1.00 0.00 C ATOM 1827 C VAL A 111 1.171 -5.640 2.236 1.00 0.00 C ATOM 1828 O VAL A 111 1.547 -6.101 1.159 1.00 0.00 O ATOM 1829 CB VAL A 111 -1.000 -4.363 1.827 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.266 -5.664 1.065 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.963 -4.212 3.006 1.00 0.00 C ATOM 0 H VAL A 111 1.478 -3.662 0.576 1.00 0.00 H new ATOM 0 HA VAL A 111 0.432 -3.979 3.339 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.175 -3.532 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.307 -5.691 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.616 -5.714 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.064 -6.515 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.990 -4.268 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.786 -5.012 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.800 -3.248 3.488 1.00 0.00 H new ATOM 1841 N ASP A 112 1.339 -6.236 3.407 1.00 0.00 N ATOM 1842 CA ASP A 112 2.004 -7.524 3.502 1.00 0.00 C ATOM 1843 C ASP A 112 1.143 -8.477 4.334 1.00 0.00 C ATOM 1844 O ASP A 112 0.656 -8.108 5.402 1.00 0.00 O ATOM 1845 CB ASP A 112 3.364 -7.393 4.191 1.00 0.00 C ATOM 1846 CG ASP A 112 4.134 -6.113 3.861 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.458 -5.095 3.597 1.00 0.00 O ATOM 1848 OD2 ASP A 112 5.382 -6.180 3.881 1.00 0.00 O ATOM 0 H ASP A 112 1.026 -5.851 4.298 1.00 0.00 H new ATOM 0 HA ASP A 112 2.147 -7.905 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.214 -7.442 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.978 -8.250 3.916 1.00 0.00 H new ATOM 1853 N TRP A 113 0.981 -9.685 3.813 1.00 0.00 N ATOM 1854 CA TRP A 113 0.187 -10.693 4.494 1.00 0.00 C ATOM 1855 C TRP A 113 1.148 -11.669 5.177 1.00 0.00 C ATOM 1856 O TRP A 113 1.346 -11.604 6.390 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.774 -11.382 3.524 1.00 0.00 C ATOM 1858 CG TRP A 113 -2.165 -11.641 4.105 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -3.258 -10.871 4.005 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.572 -12.786 4.884 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.334 -11.433 4.661 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.904 -12.634 5.212 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.839 -13.911 5.299 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.618 -13.571 5.969 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.567 -14.838 6.054 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.908 -14.700 6.393 1.00 0.00 C ATOM 0 H TRP A 113 1.386 -9.988 2.927 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.446 -10.236 5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.874 -10.767 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.340 -12.332 3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.292 -9.929 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.272 -11.039 4.729 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.796 -14.049 5.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.661 -13.430 6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.051 -15.722 6.397 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.400 -15.461 6.981 1.00 0.00 H new ATOM 1877 N GLU A 114 1.719 -12.550 4.370 1.00 0.00 N ATOM 1878 CA GLU A 114 2.654 -13.538 4.881 1.00 0.00 C ATOM 1879 C GLU A 114 3.783 -12.850 5.653 1.00 0.00 C ATOM 1880 O GLU A 114 4.674 -13.515 6.180 1.00 0.00 O ATOM 1881 CB GLU A 114 3.212 -14.403 3.749 1.00 0.00 C ATOM 1882 CG GLU A 114 2.100 -15.212 3.079 1.00 0.00 C ATOM 1883 CD GLU A 114 2.027 -14.907 1.581 1.00 0.00 C ATOM 1884 OE1 GLU A 114 1.335 -13.925 1.235 1.00 0.00 O ATOM 1885 OE2 GLU A 114 2.664 -15.663 0.817 1.00 0.00 O ATOM 0 H GLU A 114 1.552 -12.601 3.365 1.00 0.00 H new ATOM 0 HA GLU A 114 2.119 -14.196 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.702 -13.769 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.971 -15.078 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.279 -16.277 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.144 -14.981 3.548 1.00 0.00 H new ATOM 1892 N ASN A 115 3.708 -11.528 5.695 1.00 0.00 N ATOM 1893 CA ASN A 115 4.712 -10.744 6.394 1.00 0.00 C ATOM 1894 C ASN A 115 4.085 -10.115 7.640 1.00 0.00 C ATOM 1895 O ASN A 115 4.794 -9.593 8.499 1.00 0.00 O ATOM 1896 CB ASN A 115 5.242 -9.614 5.509 1.00 0.00 C ATOM 1897 CG ASN A 115 5.265 -10.034 4.038 1.00 0.00 C ATOM 1898 OD1 ASN A 115 6.310 -10.209 3.432 1.00 0.00 O ATOM 1899 ND2 ASN A 115 4.059 -10.185 3.500 1.00 0.00 N ATOM 0 H ASN A 115 2.968 -10.980 5.257 1.00 0.00 H new ATOM 0 HA ASN A 115 5.534 -11.409 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.616 -8.730 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.247 -9.339 5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.968 -10.464 2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 115 3.225 -10.022 4.064 1.00 0.00 H new ATOM 1906 N LYS A 116 2.764 -10.185 7.698 1.00 0.00 N ATOM 1907 CA LYS A 116 2.033 -9.629 8.825 1.00 0.00 C ATOM 1908 C LYS A 116 2.472 -8.180 9.046 1.00 0.00 C ATOM 1909 O LYS A 116 2.559 -7.720 10.183 1.00 0.00 O ATOM 1910 CB LYS A 116 2.198 -10.516 10.060 1.00 0.00 C ATOM 1911 CG LYS A 116 3.547 -10.268 10.739 1.00 0.00 C ATOM 1912 CD LYS A 116 3.419 -10.351 12.261 1.00 0.00 C ATOM 1913 CE LYS A 116 2.627 -9.163 12.811 1.00 0.00 C ATOM 1914 NZ LYS A 116 2.439 -9.297 14.273 1.00 0.00 N ATOM 0 H LYS A 116 2.180 -10.618 6.983 1.00 0.00 H new ATOM 0 HA LYS A 116 0.964 -9.611 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.391 -10.318 10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 116 2.119 -11.564 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.274 -11.002 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.926 -9.286 10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.924 -11.282 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.411 -10.371 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.153 -8.234 12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.657 -9.105 12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.900 -8.482 14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.918 -10.174 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.367 -9.329 14.741 1.00 0.00 H new ATOM 1928 N LEU A 117 2.736 -7.500 7.939 1.00 0.00 N ATOM 1929 CA LEU A 117 3.163 -6.112 7.998 1.00 0.00 C ATOM 1930 C LEU A 117 2.405 -5.305 6.943 1.00 0.00 C ATOM 1931 O LEU A 117 2.489 -5.600 5.751 1.00 0.00 O ATOM 1932 CB LEU A 117 4.685 -6.014 7.871 1.00 0.00 C ATOM 1933 CG LEU A 117 5.452 -5.767 9.172 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.790 -6.508 9.168 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.627 -4.268 9.428 1.00 0.00 C ATOM 0 H LEU A 117 2.662 -7.884 6.997 1.00 0.00 H new ATOM 0 HA LEU A 117 2.919 -5.679 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.053 -6.938 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.921 -5.209 7.175 1.00 0.00 H new ATOM 0 HG LEU A 117 4.864 -6.169 9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.315 -6.316 10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.613 -7.579 9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.397 -6.159 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.175 -4.119 10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.183 -3.821 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.648 -3.795 9.504 1.00 0.00 H new ATOM 1947 N VAL A 118 1.682 -4.302 7.418 1.00 0.00 N ATOM 1948 CA VAL A 118 0.909 -3.450 6.530 1.00 0.00 C ATOM 1949 C VAL A 118 1.154 -1.984 6.895 1.00 0.00 C ATOM 1950 O VAL A 118 1.742 -1.690 7.935 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.569 -3.840 6.586 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -1.394 -3.006 5.603 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.752 -5.336 6.323 1.00 0.00 C ATOM 0 H VAL A 118 1.615 -4.060 8.407 1.00 0.00 H new ATOM 0 HA VAL A 118 1.229 -3.586 5.497 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.933 -3.630 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.441 -3.303 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.302 -1.950 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.028 -3.170 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.812 -5.586 6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.363 -5.582 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.211 -5.907 7.078 1.00 0.00 H new ATOM 1963 N GLY A 119 0.692 -1.104 6.020 1.00 0.00 N ATOM 1964 CA GLY A 119 0.854 0.323 6.237 1.00 0.00 C ATOM 1965 C GLY A 119 0.700 1.098 4.927 1.00 0.00 C ATOM 1966 O GLY A 119 0.742 0.512 3.846 1.00 0.00 O ATOM 0 H GLY A 119 0.205 -1.352 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.115 0.671 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 119 1.836 0.520 6.667 1.00 0.00 H new ATOM 1970 N ASN A 120 0.526 2.404 5.066 1.00 0.00 N ATOM 1971 CA ASN A 120 0.366 3.266 3.907 1.00 0.00 C ATOM 1972 C ASN A 120 1.505 4.287 3.874 1.00 0.00 C ATOM 1973 O ASN A 120 1.600 5.144 4.752 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.956 4.033 3.969 1.00 0.00 C ATOM 1975 CG ASN A 120 -1.004 4.944 5.197 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -0.924 4.503 6.332 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -1.138 6.235 4.909 1.00 0.00 N ATOM 0 H ASN A 120 0.492 2.887 5.964 1.00 0.00 H new ATOM 0 HA ASN A 120 0.377 2.638 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -1.077 4.629 3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.788 3.329 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -1.180 6.924 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -1.199 6.537 3.937 1.00 0.00 H new ATOM 1984 N GLU A 121 2.340 4.163 2.853 1.00 0.00 N ATOM 1985 CA GLU A 121 3.468 5.064 2.695 1.00 0.00 C ATOM 1986 C GLU A 121 4.637 4.339 2.026 1.00 0.00 C ATOM 1987 O GLU A 121 4.842 3.147 2.249 1.00 0.00 O ATOM 1988 CB GLU A 121 3.889 5.658 4.041 1.00 0.00 C ATOM 1989 CG GLU A 121 3.249 7.030 4.260 1.00 0.00 C ATOM 1990 CD GLU A 121 4.289 8.145 4.140 1.00 0.00 C ATOM 1991 OE1 GLU A 121 5.367 7.984 4.753 1.00 0.00 O ATOM 1992 OE2 GLU A 121 3.984 9.134 3.440 1.00 0.00 O ATOM 0 H GLU A 121 2.258 3.452 2.127 1.00 0.00 H new ATOM 0 HA GLU A 121 3.161 5.889 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.598 4.984 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.975 5.749 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.457 7.187 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.784 7.066 5.245 1.00 0.00 H new ATOM 1999 N PRO A 122 5.393 5.109 1.198 1.00 0.00 N ATOM 2000 CA PRO A 122 6.537 4.553 0.495 1.00 0.00 C ATOM 2001 C PRO A 122 7.720 4.352 1.445 1.00 0.00 C ATOM 2002 O PRO A 122 8.526 3.443 1.254 1.00 0.00 O ATOM 2003 CB PRO A 122 6.832 5.542 -0.620 1.00 0.00 C ATOM 2004 CG PRO A 122 6.146 6.838 -0.221 1.00 0.00 C ATOM 2005 CD PRO A 122 5.180 6.524 0.910 1.00 0.00 C ATOM 0 HA PRO A 122 6.339 3.561 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.906 5.689 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.453 5.178 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.881 7.577 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.613 7.265 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.382 7.141 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.149 6.717 0.615 1.00 0.00 H new ATOM 2013 N ALA A 123 7.785 5.215 2.448 1.00 0.00 N ATOM 2014 CA ALA A 123 8.856 5.144 3.428 1.00 0.00 C ATOM 2015 C ALA A 123 8.713 3.855 4.240 1.00 0.00 C ATOM 2016 O ALA A 123 9.699 3.328 4.752 1.00 0.00 O ATOM 2017 CB ALA A 123 8.826 6.395 4.309 1.00 0.00 C ATOM 0 H ALA A 123 7.114 5.967 2.603 1.00 0.00 H new ATOM 0 HA ALA A 123 9.827 5.117 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.629 6.342 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.960 7.281 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.867 6.455 4.823 1.00 0.00 H new ATOM 2023 N ASP A 124 7.478 3.385 4.332 1.00 0.00 N ATOM 2024 CA ASP A 124 7.194 2.168 5.073 1.00 0.00 C ATOM 2025 C ASP A 124 8.045 1.026 4.516 1.00 0.00 C ATOM 2026 O ASP A 124 8.735 0.338 5.266 1.00 0.00 O ATOM 2027 CB ASP A 124 5.723 1.771 4.937 1.00 0.00 C ATOM 2028 CG ASP A 124 4.720 2.844 5.367 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.015 3.525 6.374 1.00 0.00 O ATOM 2030 OD2 ASP A 124 3.682 2.960 4.681 1.00 0.00 O ATOM 0 H ASP A 124 6.662 3.825 3.906 1.00 0.00 H new ATOM 0 HA ASP A 124 7.423 2.352 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.528 1.509 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.548 0.873 5.530 1.00 0.00 H new ATOM 2035 N ILE A 125 7.969 0.860 3.203 1.00 0.00 N ATOM 2036 CA ILE A 125 8.725 -0.187 2.537 1.00 0.00 C ATOM 2037 C ILE A 125 10.201 -0.068 2.920 1.00 0.00 C ATOM 2038 O ILE A 125 10.803 -1.031 3.392 1.00 0.00 O ATOM 2039 CB ILE A 125 8.476 -0.149 1.027 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.617 -1.335 0.583 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.795 -0.076 0.256 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.848 -1.656 -0.895 1.00 0.00 C ATOM 0 H ILE A 125 7.396 1.433 2.583 1.00 0.00 H new ATOM 0 HA ILE A 125 8.388 -1.169 2.868 1.00 0.00 H new ATOM 0 HB ILE A 125 7.917 0.758 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.855 -2.208 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.564 -1.108 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.590 -0.050 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.335 0.826 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.401 -0.952 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.226 -2.503 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.586 -0.789 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.897 -1.906 -1.053 1.00 0.00 H new ATOM 2054 N ASP A 126 10.742 1.122 2.702 1.00 0.00 N ATOM 2055 CA ASP A 126 12.136 1.380 3.018 1.00 0.00 C ATOM 2056 C ASP A 126 12.418 0.942 4.457 1.00 0.00 C ATOM 2057 O ASP A 126 13.306 0.126 4.699 1.00 0.00 O ATOM 2058 CB ASP A 126 12.460 2.871 2.906 1.00 0.00 C ATOM 2059 CG ASP A 126 13.880 3.257 3.324 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.197 3.052 4.515 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.617 3.749 2.442 1.00 0.00 O ATOM 0 H ASP A 126 10.239 1.918 2.310 1.00 0.00 H new ATOM 0 HA ASP A 126 12.750 0.823 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.303 3.185 1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.752 3.428 3.520 1.00 0.00 H new ATOM 2066 N LYS A 127 11.644 1.503 5.375 1.00 0.00 N ATOM 2067 CA LYS A 127 11.799 1.180 6.783 1.00 0.00 C ATOM 2068 C LYS A 127 11.746 -0.338 6.962 1.00 0.00 C ATOM 2069 O LYS A 127 12.628 -0.923 7.590 1.00 0.00 O ATOM 2070 CB LYS A 127 10.765 1.935 7.622 1.00 0.00 C ATOM 2071 CG LYS A 127 11.351 3.237 8.171 1.00 0.00 C ATOM 2072 CD LYS A 127 11.951 4.085 7.048 1.00 0.00 C ATOM 2073 CE LYS A 127 10.986 5.194 6.624 1.00 0.00 C ATOM 2074 NZ LYS A 127 11.161 6.389 7.479 1.00 0.00 N ATOM 0 H LYS A 127 10.908 2.179 5.171 1.00 0.00 H new ATOM 0 HA LYS A 127 12.773 1.510 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.888 2.155 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.431 1.306 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.573 3.803 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.119 3.011 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.891 4.524 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.181 3.451 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 127 11.161 5.457 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.959 4.837 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.498 7.132 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.971 6.137 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 12.136 6.739 7.391 1.00 0.00 H new ATOM 2088 N TYR A 128 10.705 -0.933 6.400 1.00 0.00 N ATOM 2089 CA TYR A 128 10.526 -2.372 6.490 1.00 0.00 C ATOM 2090 C TYR A 128 11.363 -3.096 5.433 1.00 0.00 C ATOM 2091 O TYR A 128 12.496 -3.493 5.699 1.00 0.00 O ATOM 2092 CB TYR A 128 9.043 -2.631 6.215 1.00 0.00 C ATOM 2093 CG TYR A 128 8.628 -4.096 6.370 1.00 0.00 C ATOM 2094 CD1 TYR A 128 9.531 -5.021 6.853 1.00 0.00 C ATOM 2095 CD2 TYR A 128 7.351 -4.491 6.026 1.00 0.00 C ATOM 2096 CE1 TYR A 128 9.140 -6.400 6.998 1.00 0.00 C ATOM 2097 CE2 TYR A 128 6.961 -5.869 6.172 1.00 0.00 C ATOM 2098 CZ TYR A 128 7.874 -6.756 6.651 1.00 0.00 C ATOM 2099 OH TYR A 128 7.505 -8.057 6.789 1.00 0.00 O ATOM 0 H TYR A 128 9.976 -0.444 5.880 1.00 0.00 H new ATOM 0 HA TYR A 128 10.840 -2.737 7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.446 -2.021 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.809 -2.303 5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 128 10.530 -4.711 7.122 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.645 -3.767 5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.837 -7.135 7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.965 -6.192 5.907 1.00 0.00 H new ATOM 0 HH TYR A 128 8.004 -8.462 7.529 1.00 0.00 H new ATOM 2109 N ILE A 129 10.771 -3.246 4.257 1.00 0.00 N ATOM 2110 CA ILE A 129 11.448 -3.915 3.159 1.00 0.00 C ATOM 2111 C ILE A 129 11.663 -2.921 2.017 1.00 0.00 C ATOM 2112 O ILE A 129 10.804 -2.769 1.150 1.00 0.00 O ATOM 2113 CB ILE A 129 10.681 -5.172 2.744 1.00 0.00 C ATOM 2114 CG1 ILE A 129 9.246 -4.830 2.339 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.729 -6.233 3.845 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.332 -4.764 3.564 1.00 0.00 C ATOM 0 H ILE A 129 9.830 -2.916 4.041 1.00 0.00 H new ATOM 0 HA ILE A 129 12.434 -4.259 3.472 1.00 0.00 H new ATOM 0 HB ILE A 129 11.170 -5.596 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.230 -3.873 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.872 -5.580 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.176 -7.116 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.766 -6.506 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.279 -5.834 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.318 -4.519 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.332 -5.729 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.695 -3.996 4.248 1.00 0.00 H new ATOM 2128 N ILE A 130 12.816 -2.268 2.053 1.00 0.00 N ATOM 2129 CA ILE A 130 13.155 -1.292 1.031 1.00 0.00 C ATOM 2130 C ILE A 130 12.735 -1.827 -0.339 1.00 0.00 C ATOM 2131 O ILE A 130 11.621 -2.322 -0.501 1.00 0.00 O ATOM 2132 CB ILE A 130 14.637 -0.919 1.118 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.501 -2.158 1.363 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.869 0.161 2.177 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.387 -3.144 0.199 1.00 0.00 C ATOM 0 H ILE A 130 13.527 -2.396 2.773 1.00 0.00 H new ATOM 0 HA ILE A 130 12.606 -0.364 1.193 1.00 0.00 H new ATOM 0 HB ILE A 130 14.941 -0.500 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 130 16.542 -1.860 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.192 -2.644 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.930 0.408 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.299 1.053 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.544 -0.208 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.011 -4.016 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.349 -3.458 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.720 -2.662 -0.720 1.00 0.00 H new ATOM 2147 N GLN A 131 13.650 -1.709 -1.290 1.00 0.00 N ATOM 2148 CA GLN A 131 13.388 -2.175 -2.642 1.00 0.00 C ATOM 2149 C GLN A 131 13.086 -3.675 -2.637 1.00 0.00 C ATOM 2150 O GLN A 131 12.037 -4.102 -3.117 1.00 0.00 O ATOM 2151 CB GLN A 131 14.562 -1.855 -3.569 1.00 0.00 C ATOM 2152 CG GLN A 131 15.319 -0.616 -3.088 1.00 0.00 C ATOM 2153 CD GLN A 131 16.514 -1.007 -2.217 1.00 0.00 C ATOM 2154 OE1 GLN A 131 16.706 -0.509 -1.120 1.00 0.00 O ATOM 2155 NE2 GLN A 131 17.305 -1.926 -2.765 1.00 0.00 N ATOM 0 H GLN A 131 14.573 -1.298 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 131 12.513 -1.649 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.241 -2.707 -3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.195 -1.691 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.664 -0.040 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.647 0.028 -2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 131 17.087 -2.302 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 131 18.130 -2.254 -2.262 1.00 0.00 H new ATOM 2164 N ARG A 132 14.023 -4.433 -2.088 1.00 0.00 N ATOM 2165 CA ARG A 132 13.871 -5.876 -2.015 1.00 0.00 C ATOM 2166 C ARG A 132 14.639 -6.431 -0.813 1.00 0.00 C ATOM 2167 O ARG A 132 15.863 -6.327 -0.753 1.00 0.00 O ATOM 2168 CB ARG A 132 14.379 -6.550 -3.291 1.00 0.00 C ATOM 2169 CG ARG A 132 14.633 -5.518 -4.391 1.00 0.00 C ATOM 2170 CD ARG A 132 16.119 -5.160 -4.475 1.00 0.00 C ATOM 2171 NE ARG A 132 16.583 -5.252 -5.877 1.00 0.00 N ATOM 2172 CZ ARG A 132 16.535 -4.238 -6.752 1.00 0.00 C ATOM 2173 NH1 ARG A 132 16.042 -3.050 -6.375 1.00 0.00 N ATOM 2174 NH2 ARG A 132 16.979 -4.412 -8.004 1.00 0.00 N ATOM 0 H ARG A 132 14.891 -4.075 -1.689 1.00 0.00 H new ATOM 0 HA ARG A 132 12.808 -6.091 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 132 15.299 -7.094 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 132 13.649 -7.282 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 132 14.296 -5.912 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 132 14.049 -4.619 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.281 -4.151 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.700 -5.834 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 132 16.963 -6.143 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 132 15.703 -2.918 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 132 16.006 -2.278 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 132 17.354 -5.316 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 132 16.942 -3.640 -8.670 1.00 0.00 H new ATOM 2188 N LYS A 133 13.888 -7.008 0.114 1.00 0.00 N ATOM 2189 CA LYS A 133 14.483 -7.579 1.310 1.00 0.00 C ATOM 2190 C LYS A 133 14.816 -9.050 1.056 1.00 0.00 C ATOM 2191 O LYS A 133 15.342 -9.732 1.935 1.00 0.00 O ATOM 2192 CB LYS A 133 13.574 -7.354 2.520 1.00 0.00 C ATOM 2193 CG LYS A 133 13.272 -8.674 3.232 1.00 0.00 C ATOM 2194 CD LYS A 133 14.393 -9.041 4.206 1.00 0.00 C ATOM 2195 CE LYS A 133 14.469 -10.555 4.410 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.793 -10.873 5.819 1.00 0.00 N ATOM 0 H LYS A 133 12.873 -7.092 0.061 1.00 0.00 H new ATOM 0 HA LYS A 133 15.421 -7.076 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.052 -6.663 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 133 12.642 -6.889 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 133 12.329 -8.592 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.150 -9.469 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 133 15.346 -8.674 3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 133 14.223 -8.550 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.518 -11.013 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.227 -10.979 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.841 -11.905 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 15.711 -10.452 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.055 -10.485 6.441 1.00 0.00 H new TER 2210 LYS A 133