USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 849 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 49 GLN : amide:sc= -5.77! C(o=-8.2!,f=-18!) USER MOD Set 1.2: B 118 THR OG1 : rot 180:sc= -2.46! USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= -0.377 USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -2.47 F(o=-3.6!,f=-2.8) USER MOD Single : A 1 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.6!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.607 F(o=-3.7!,f=-0.61) USER MOD Single : A 4 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.63) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -7.48! C(o=-7.5!,f=-11!) USER MOD Single : A 21 GLN : amide:sc= -1.08! X(o=-1.1!,f=-0.93) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.55 (180deg=-1.01) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0552 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -3.64 (180deg=-5!) USER MOD Single : A 31 MET CE :methyl 173:sc= -16.2! (180deg=-16.8!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=-0.012) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -14.9! C(o=-15!,f=-25!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -164:sc= -0.653 (180deg=-1.43!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.012) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.75 F(o=-5.9!,f=-2.8) USER MOD Single : A 50 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-6.7!) USER MOD Single : A 51 MET CE :methyl 139:sc= -5.1! (180deg=-6.63!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -6:sc= -1.25 USER MOD Single : A 66 GLN : amide:sc= -0.0327 K(o=-0.033,f=-0.83) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -61:sc= 0.679 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -130:sc= -1.46 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= -1.49 (180deg=-4.05!) USER MOD Single : A 83 ASN : amide:sc= -12.6! C(o=-13!,f=-16!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot -8:sc= 0.663 USER MOD Single : B 116 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.21) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 ASN :FLIP amide:sc= -0.38 F(o=-1.3,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.805 0.498 0.402 1.00 0.00 N ATOM 2 CA GLN A 1 2.883 1.480 0.405 1.00 0.00 C ATOM 3 C GLN A 1 4.121 0.927 1.104 1.00 0.00 C ATOM 4 O GLN A 1 4.682 1.570 1.992 1.00 0.00 O ATOM 5 CB GLN A 1 2.427 2.768 1.092 1.00 0.00 C ATOM 6 CG GLN A 1 3.002 4.028 0.467 1.00 0.00 C ATOM 7 CD GLN A 1 2.268 4.443 -0.792 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.331 3.761 -1.815 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.564 5.567 -0.724 1.00 0.00 N ATOM 0 H1 GLN A 1 0.973 0.897 -0.079 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.117 -0.358 -0.099 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.555 0.254 1.382 1.00 0.00 H new ATOM 0 HA GLN A 1 3.141 1.702 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.339 2.821 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.714 2.730 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.959 4.841 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 1 4.054 3.865 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 1 1.539 6.102 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.048 5.896 -1.540 1.00 0.00 H new ATOM 18 N ILE A 2 4.540 -0.266 0.699 1.00 0.00 N ATOM 19 CA ILE A 2 5.711 -0.904 1.286 1.00 0.00 C ATOM 20 C ILE A 2 6.587 -1.542 0.213 1.00 0.00 C ATOM 21 O ILE A 2 6.905 -2.729 0.281 1.00 0.00 O ATOM 22 CB ILE A 2 5.311 -1.981 2.313 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.275 -1.423 3.291 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.537 -2.483 3.060 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.815 -0.325 4.181 1.00 0.00 C ATOM 0 H ILE A 2 4.086 -0.811 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 2 6.275 -0.121 1.793 1.00 0.00 H new ATOM 0 HB ILE A 2 4.866 -2.822 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.425 -1.038 2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.902 -2.235 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.237 -3.243 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.244 -2.914 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.010 -1.652 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.027 0.023 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.646 -0.711 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.162 0.505 3.565 1.00 0.00 H new ATOM 37 N ASN A 3 6.974 -0.745 -0.778 1.00 0.00 N ATOM 38 CA ASN A 3 7.814 -1.232 -1.866 1.00 0.00 C ATOM 39 C ASN A 3 9.292 -1.049 -1.535 1.00 0.00 C ATOM 40 O ASN A 3 9.714 0.025 -1.109 1.00 0.00 O ATOM 41 CB ASN A 3 7.477 -0.498 -3.166 1.00 0.00 C ATOM 42 CG ASN A 3 7.727 -1.353 -4.393 1.00 0.00 C ATOM 43 OD1 ASN A 3 8.880 -2.011 -4.430 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 6.894 -1.420 -5.297 1.00 0.00 N flip ATOM 0 H ASN A 3 6.719 0.240 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 3 7.617 -2.296 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.431 -0.192 -3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.074 0.411 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.021 -0.897 -5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.077 -1.999 -6.117 1.00 0.00 H new ATOM 51 N GLN A 4 10.073 -2.106 -1.736 1.00 0.00 N ATOM 52 CA GLN A 4 11.504 -2.062 -1.459 1.00 0.00 C ATOM 53 C GLN A 4 12.219 -1.133 -2.435 1.00 0.00 C ATOM 54 O GLN A 4 11.637 -0.689 -3.425 1.00 0.00 O ATOM 55 CB GLN A 4 12.104 -3.466 -1.540 1.00 0.00 C ATOM 56 CG GLN A 4 11.308 -4.513 -0.778 1.00 0.00 C ATOM 57 CD GLN A 4 10.373 -5.302 -1.673 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.814 -6.060 -2.537 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.072 -5.126 -1.471 1.00 0.00 N ATOM 0 H GLN A 4 9.739 -3.003 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 4 11.641 -1.674 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.171 -3.763 -2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.121 -3.440 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.996 -5.199 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.728 -4.024 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.751 -4.488 -0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.394 -5.629 -2.044 1.00 0.00 H new ATOM 68 N VAL A 5 13.484 -0.843 -2.149 1.00 0.00 N ATOM 69 CA VAL A 5 14.279 0.033 -3.001 1.00 0.00 C ATOM 70 C VAL A 5 15.737 -0.411 -3.037 1.00 0.00 C ATOM 71 O VAL A 5 16.144 -1.301 -2.290 1.00 0.00 O ATOM 72 CB VAL A 5 14.211 1.495 -2.523 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.936 1.739 -1.731 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.438 1.842 -1.694 1.00 0.00 C ATOM 0 H VAL A 5 13.980 -1.202 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 5 13.857 -0.033 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 5 14.197 2.145 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.906 2.778 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.071 1.533 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.916 1.082 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.373 2.879 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.486 1.187 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.335 1.709 -2.299 1.00 0.00 H new ATOM 84 N ARG A 6 16.520 0.215 -3.910 1.00 0.00 N ATOM 85 CA ARG A 6 17.933 -0.116 -4.044 1.00 0.00 C ATOM 86 C ARG A 6 18.750 1.122 -4.402 1.00 0.00 C ATOM 87 O ARG A 6 18.909 1.474 -5.571 1.00 0.00 O ATOM 88 CB ARG A 6 18.127 -1.194 -5.111 1.00 0.00 C ATOM 89 CG ARG A 6 19.068 -2.310 -4.686 1.00 0.00 C ATOM 90 CD ARG A 6 18.756 -3.609 -5.412 1.00 0.00 C ATOM 91 NE ARG A 6 19.060 -4.780 -4.594 1.00 0.00 N ATOM 92 CZ ARG A 6 19.207 -6.004 -5.088 1.00 0.00 C ATOM 93 NH1 ARG A 6 19.077 -6.216 -6.391 1.00 0.00 N ATOM 94 NH2 ARG A 6 19.484 -7.019 -4.280 1.00 0.00 N ATOM 0 H ARG A 6 16.199 0.954 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 6 18.284 -0.497 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.157 -1.624 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.514 -0.730 -6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.098 -2.016 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.988 -2.465 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.702 -3.625 -5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.330 -3.654 -6.337 1.00 0.00 H new ATOM 0 HE ARG A 6 19.165 -4.651 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.864 -5.438 -7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.190 -7.157 -6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.584 -6.860 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.597 -7.958 -4.661 1.00 0.00 H new ATOM 108 N PRO A 7 19.280 1.800 -3.373 1.00 0.00 N ATOM 109 CA PRO A 7 20.088 3.009 -3.554 1.00 0.00 C ATOM 110 C PRO A 7 21.445 2.710 -4.183 1.00 0.00 C ATOM 111 O PRO A 7 22.230 1.927 -3.648 1.00 0.00 O ATOM 112 CB PRO A 7 20.265 3.535 -2.127 1.00 0.00 C ATOM 113 CG PRO A 7 20.120 2.332 -1.260 1.00 0.00 C ATOM 114 CD PRO A 7 19.130 1.438 -1.953 1.00 0.00 C ATOM 0 HA PRO A 7 19.612 3.720 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.241 4.003 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.515 4.289 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.077 1.827 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.768 2.608 -0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.351 0.385 -1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.114 1.613 -1.599 1.00 0.00 H new ATOM 122 N LYS A 8 21.716 3.339 -5.322 1.00 0.00 N ATOM 123 CA LYS A 8 22.978 3.142 -6.024 1.00 0.00 C ATOM 124 C LYS A 8 24.101 3.928 -5.354 1.00 0.00 C ATOM 125 O LYS A 8 23.957 4.397 -4.224 1.00 0.00 O ATOM 126 CB LYS A 8 22.844 3.570 -7.487 1.00 0.00 C ATOM 127 CG LYS A 8 21.514 3.188 -8.112 1.00 0.00 C ATOM 128 CD LYS A 8 21.588 3.198 -9.630 1.00 0.00 C ATOM 129 CE LYS A 8 21.676 4.615 -10.175 1.00 0.00 C ATOM 130 NZ LYS A 8 22.809 4.773 -11.129 1.00 0.00 N ATOM 0 H LYS A 8 21.077 3.990 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 8 23.226 2.081 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.971 4.651 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.651 3.118 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.221 2.196 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.742 3.882 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.457 2.627 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.708 2.703 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.742 4.870 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.797 5.315 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.835 5.752 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.703 4.554 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.681 4.123 -11.931 1.00 0.00 H new ATOM 144 N LEU A 9 25.219 4.071 -6.058 1.00 0.00 N ATOM 145 CA LEU A 9 26.366 4.802 -5.532 1.00 0.00 C ATOM 146 C LEU A 9 25.952 6.186 -5.042 1.00 0.00 C ATOM 147 O LEU A 9 26.105 6.527 -3.869 1.00 0.00 O ATOM 148 CB LEU A 9 27.448 4.932 -6.606 1.00 0.00 C ATOM 149 CG LEU A 9 28.467 3.793 -6.672 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.651 4.187 -7.541 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.932 3.411 -5.275 1.00 0.00 C ATOM 0 H LEU A 9 25.355 3.690 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 9 26.766 4.242 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.960 5.013 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.986 5.865 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 9 27.985 2.925 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.366 3.365 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 9 29.304 4.410 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 9 30.133 5.069 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.656 2.599 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.397 4.274 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.076 3.086 -4.683 1.00 0.00 H new ATOM 163 N PRO A 10 25.413 7.002 -5.960 1.00 0.00 N ATOM 164 CA PRO A 10 24.962 8.361 -5.644 1.00 0.00 C ATOM 165 C PRO A 10 23.718 8.369 -4.763 1.00 0.00 C ATOM 166 O PRO A 10 23.276 9.423 -4.304 1.00 0.00 O ATOM 167 CB PRO A 10 24.649 8.959 -7.017 1.00 0.00 C ATOM 168 CG PRO A 10 24.338 7.785 -7.880 1.00 0.00 C ATOM 169 CD PRO A 10 25.200 6.661 -7.377 1.00 0.00 C ATOM 0 HA PRO A 10 25.711 8.919 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.805 9.647 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.497 9.523 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.281 7.524 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.552 8.002 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.707 5.695 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.142 6.602 -7.922 1.00 0.00 H new ATOM 177 N LEU A 11 23.156 7.188 -4.529 1.00 0.00 N ATOM 178 CA LEU A 11 21.962 7.058 -3.702 1.00 0.00 C ATOM 179 C LEU A 11 22.305 6.466 -2.339 1.00 0.00 C ATOM 180 O LEU A 11 21.538 6.593 -1.384 1.00 0.00 O ATOM 181 CB LEU A 11 20.923 6.183 -4.405 1.00 0.00 C ATOM 182 CG LEU A 11 19.586 6.853 -4.725 1.00 0.00 C ATOM 183 CD1 LEU A 11 19.809 8.151 -5.485 1.00 0.00 C ATOM 184 CD2 LEU A 11 18.695 5.912 -5.522 1.00 0.00 C ATOM 0 H LEU A 11 23.509 6.306 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 11 21.545 8.054 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.356 5.818 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.729 5.311 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 11 19.084 7.087 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.847 8.614 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.408 8.830 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.332 7.941 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.748 6.406 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.190 5.646 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.508 5.009 -4.941 1.00 0.00 H new ATOM 196 N LEU A 12 23.463 5.820 -2.255 1.00 0.00 N ATOM 197 CA LEU A 12 23.910 5.209 -1.008 1.00 0.00 C ATOM 198 C LEU A 12 24.448 6.264 -0.047 1.00 0.00 C ATOM 199 O LEU A 12 24.133 6.254 1.143 1.00 0.00 O ATOM 200 CB LEU A 12 24.987 4.160 -1.289 1.00 0.00 C ATOM 201 CG LEU A 12 24.827 2.822 -0.565 1.00 0.00 C ATOM 202 CD1 LEU A 12 26.183 2.179 -0.325 1.00 0.00 C ATOM 203 CD2 LEU A 12 24.084 3.013 0.749 1.00 0.00 C ATOM 0 H LEU A 12 24.109 5.706 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 12 23.053 4.724 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.009 3.969 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.956 4.582 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 12 24.240 2.156 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 26.049 1.228 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.678 2.006 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.796 2.841 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.979 2.051 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.644 3.696 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.096 3.429 0.551 1.00 0.00 H new ATOM 215 N LYS A 13 25.262 7.174 -0.572 1.00 0.00 N ATOM 216 CA LYS A 13 25.842 8.239 0.237 1.00 0.00 C ATOM 217 C LYS A 13 24.752 9.114 0.848 1.00 0.00 C ATOM 218 O LYS A 13 24.929 9.679 1.928 1.00 0.00 O ATOM 219 CB LYS A 13 26.784 9.097 -0.612 1.00 0.00 C ATOM 220 CG LYS A 13 26.071 10.174 -1.410 1.00 0.00 C ATOM 221 CD LYS A 13 26.134 11.521 -0.709 1.00 0.00 C ATOM 222 CE LYS A 13 27.062 12.484 -1.434 1.00 0.00 C ATOM 223 NZ LYS A 13 28.491 12.092 -1.288 1.00 0.00 N ATOM 0 H LYS A 13 25.535 7.195 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 13 26.409 7.779 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.521 9.567 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.332 8.451 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.524 10.256 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.030 9.889 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.134 11.950 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.479 11.383 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 13 26.800 12.514 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.920 13.491 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.091 12.773 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.749 12.088 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.633 11.142 -1.686 1.00 0.00 H new ATOM 237 N ILE A 14 23.626 9.221 0.151 1.00 0.00 N ATOM 238 CA ILE A 14 22.507 10.026 0.627 1.00 0.00 C ATOM 239 C ILE A 14 22.003 9.523 1.975 1.00 0.00 C ATOM 240 O ILE A 14 21.920 10.282 2.942 1.00 0.00 O ATOM 241 CB ILE A 14 21.341 10.019 -0.380 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.856 10.308 -1.791 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.288 11.039 0.025 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.774 10.757 -2.748 1.00 0.00 C ATOM 0 H ILE A 14 23.464 8.761 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 14 22.875 11.046 0.737 1.00 0.00 H new ATOM 0 HB ILE A 14 20.882 9.030 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.625 11.078 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.331 9.410 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.470 11.023 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.904 10.792 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.734 12.033 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.211 10.944 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.016 9.979 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.315 11.672 -2.375 1.00 0.00 H new ATOM 256 N LEU A 15 21.669 8.239 2.034 1.00 0.00 N ATOM 257 CA LEU A 15 21.175 7.632 3.265 1.00 0.00 C ATOM 258 C LEU A 15 22.290 7.510 4.298 1.00 0.00 C ATOM 259 O LEU A 15 22.085 7.773 5.484 1.00 0.00 O ATOM 260 CB LEU A 15 20.580 6.253 2.975 1.00 0.00 C ATOM 261 CG LEU A 15 19.693 6.153 1.733 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.975 4.813 1.697 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.691 7.298 1.700 1.00 0.00 C ATOM 0 H LEU A 15 21.731 7.598 1.243 1.00 0.00 H new ATOM 0 HA LEU A 15 20.397 8.278 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.398 5.541 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.995 5.942 3.841 1.00 0.00 H new ATOM 0 HG LEU A 15 20.327 6.226 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.349 4.760 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.709 4.007 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.352 4.710 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.068 7.211 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.061 7.256 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.225 8.248 1.678 1.00 0.00 H new ATOM 275 N HIS A 16 23.473 7.111 3.840 1.00 0.00 N ATOM 276 CA HIS A 16 24.623 6.957 4.724 1.00 0.00 C ATOM 277 C HIS A 16 24.940 8.268 5.437 1.00 0.00 C ATOM 278 O HIS A 16 25.110 8.297 6.656 1.00 0.00 O ATOM 279 CB HIS A 16 25.842 6.486 3.932 1.00 0.00 C ATOM 280 CG HIS A 16 25.849 5.013 3.663 1.00 0.00 C ATOM 281 ND1 HIS A 16 27.008 4.281 3.510 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.830 4.134 3.521 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.701 3.016 3.284 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.385 2.900 3.286 1.00 0.00 N ATOM 0 H HIS A 16 23.660 6.889 2.862 1.00 0.00 H new ATOM 0 HA HIS A 16 24.375 6.207 5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.877 7.020 2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.746 6.751 4.480 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.954 4.658 3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.776 4.361 3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.406 2.213 3.125 1.00 0.00 H new ATOM 292 N ALA A 17 25.017 9.350 4.669 1.00 0.00 N ATOM 293 CA ALA A 17 25.313 10.663 5.228 1.00 0.00 C ATOM 294 C ALA A 17 24.174 11.149 6.119 1.00 0.00 C ATOM 295 O ALA A 17 24.300 12.164 6.803 1.00 0.00 O ATOM 296 CB ALA A 17 25.576 11.664 4.112 1.00 0.00 C ATOM 0 H ALA A 17 24.879 9.343 3.658 1.00 0.00 H new ATOM 0 HA ALA A 17 26.209 10.576 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.796 12.641 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 17 26.426 11.331 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.695 11.739 3.475 1.00 0.00 H new ATOM 302 N ALA A 18 23.065 10.418 6.105 1.00 0.00 N ATOM 303 CA ALA A 18 21.905 10.775 6.913 1.00 0.00 C ATOM 304 C ALA A 18 21.756 9.834 8.104 1.00 0.00 C ATOM 305 O ALA A 18 20.780 9.910 8.849 1.00 0.00 O ATOM 306 CB ALA A 18 20.643 10.757 6.063 1.00 0.00 C ATOM 0 H ALA A 18 22.945 9.575 5.543 1.00 0.00 H new ATOM 0 HA ALA A 18 22.057 11.784 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.785 11.025 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.743 11.474 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 18 20.496 9.758 5.651 1.00 0.00 H new ATOM 312 N GLY A 19 22.731 8.947 8.277 1.00 0.00 N ATOM 313 CA GLY A 19 22.688 8.003 9.379 1.00 0.00 C ATOM 314 C GLY A 19 22.255 6.618 8.940 1.00 0.00 C ATOM 315 O GLY A 19 21.861 5.794 9.765 1.00 0.00 O ATOM 0 H GLY A 19 23.550 8.865 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.674 7.943 9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.001 8.370 10.141 1.00 0.00 H new ATOM 319 N ALA A 20 22.327 6.363 7.638 1.00 0.00 N ATOM 320 CA ALA A 20 21.939 5.068 7.092 1.00 0.00 C ATOM 321 C ALA A 20 23.162 4.195 6.830 1.00 0.00 C ATOM 322 O ALA A 20 24.298 4.636 6.999 1.00 0.00 O ATOM 323 CB ALA A 20 21.138 5.254 5.812 1.00 0.00 C ATOM 0 H ALA A 20 22.650 7.035 6.942 1.00 0.00 H new ATOM 0 HA ALA A 20 21.314 4.563 7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.855 4.279 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.240 5.834 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.745 5.783 5.077 1.00 0.00 H new ATOM 329 N GLN A 21 22.920 2.954 6.419 1.00 0.00 N ATOM 330 CA GLN A 21 24.002 2.019 6.136 1.00 0.00 C ATOM 331 C GLN A 21 23.461 0.724 5.538 1.00 0.00 C ATOM 332 O GLN A 21 22.496 0.152 6.043 1.00 0.00 O ATOM 333 CB GLN A 21 24.789 1.715 7.412 1.00 0.00 C ATOM 334 CG GLN A 21 26.296 1.710 7.212 1.00 0.00 C ATOM 335 CD GLN A 21 26.970 2.925 7.819 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.706 2.815 8.799 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.721 4.092 7.238 1.00 0.00 N ATOM 0 H GLN A 21 21.985 2.573 6.275 1.00 0.00 H new ATOM 0 HA GLN A 21 24.668 2.483 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.534 2.455 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.479 0.744 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.715 0.807 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.517 1.672 6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 21 26.104 4.137 6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.147 4.944 7.602 1.00 0.00 H new ATOM 346 N GLY A 22 24.089 0.268 4.459 1.00 0.00 N ATOM 347 CA GLY A 22 23.656 -0.955 3.810 1.00 0.00 C ATOM 348 C GLY A 22 23.594 -0.820 2.301 1.00 0.00 C ATOM 349 O GLY A 22 24.294 0.006 1.717 1.00 0.00 O ATOM 0 H GLY A 22 24.890 0.724 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.339 -1.763 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.672 -1.234 4.187 1.00 0.00 H new ATOM 353 N GLU A 23 22.756 -1.636 1.670 1.00 0.00 N ATOM 354 CA GLU A 23 22.608 -1.605 0.219 1.00 0.00 C ATOM 355 C GLU A 23 21.161 -1.871 -0.186 1.00 0.00 C ATOM 356 O GLU A 23 20.873 -2.151 -1.349 1.00 0.00 O ATOM 357 CB GLU A 23 23.530 -2.639 -0.432 1.00 0.00 C ATOM 358 CG GLU A 23 24.989 -2.488 -0.036 1.00 0.00 C ATOM 359 CD GLU A 23 25.372 -3.378 1.131 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.777 -4.534 0.887 1.00 0.00 O ATOM 361 OE2 GLU A 23 25.267 -2.919 2.287 1.00 0.00 O ATOM 0 H GLU A 23 22.170 -2.326 2.140 1.00 0.00 H new ATOM 0 HA GLU A 23 22.887 -0.610 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.190 -3.638 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.446 -2.557 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.620 -2.726 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.185 -1.448 0.225 1.00 0.00 H new ATOM 368 N MET A 24 20.256 -1.781 0.782 1.00 0.00 N ATOM 369 CA MET A 24 18.838 -2.011 0.527 1.00 0.00 C ATOM 370 C MET A 24 17.978 -1.345 1.596 1.00 0.00 C ATOM 371 O MET A 24 18.362 -1.280 2.764 1.00 0.00 O ATOM 372 CB MET A 24 18.544 -3.511 0.479 1.00 0.00 C ATOM 373 CG MET A 24 19.445 -4.336 1.383 1.00 0.00 C ATOM 374 SD MET A 24 20.860 -5.030 0.506 1.00 0.00 S ATOM 375 CE MET A 24 22.058 -5.145 1.833 1.00 0.00 C ATOM 0 H MET A 24 20.478 -1.551 1.750 1.00 0.00 H new ATOM 0 HA MET A 24 18.591 -1.569 -0.438 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.505 -3.679 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.653 -3.862 -0.547 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.801 -3.712 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.865 -5.145 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 24 23.065 -5.139 1.416 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.939 -4.296 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.900 -6.071 2.386 1.00 0.00 H new ATOM 385 N PHE A 25 16.813 -0.851 1.189 1.00 0.00 N ATOM 386 CA PHE A 25 15.899 -0.189 2.113 1.00 0.00 C ATOM 387 C PHE A 25 14.493 -0.115 1.526 1.00 0.00 C ATOM 388 O PHE A 25 14.312 -0.156 0.308 1.00 0.00 O ATOM 389 CB PHE A 25 16.402 1.218 2.441 1.00 0.00 C ATOM 390 CG PHE A 25 17.838 1.254 2.881 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.863 1.230 1.949 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.163 1.310 4.227 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.185 1.264 2.350 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.483 1.344 4.634 1.00 0.00 C ATOM 395 CZ PHE A 25 20.495 1.319 3.695 1.00 0.00 C ATOM 0 H PHE A 25 16.480 -0.897 0.226 1.00 0.00 H new ATOM 0 HA PHE A 25 15.861 -0.776 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.284 1.852 1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.779 1.644 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.626 1.184 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.376 1.327 4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.974 1.248 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.723 1.390 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.527 1.342 4.012 1.00 0.00 H new ATOM 405 N THR A 26 13.498 -0.005 2.401 1.00 0.00 N ATOM 406 CA THR A 26 12.107 0.073 1.971 1.00 0.00 C ATOM 407 C THR A 26 11.666 1.522 1.798 1.00 0.00 C ATOM 408 O THR A 26 12.333 2.445 2.266 1.00 0.00 O ATOM 409 CB THR A 26 11.169 -0.620 2.977 1.00 0.00 C ATOM 410 OG1 THR A 26 11.726 -0.553 4.294 1.00 0.00 O ATOM 411 CG2 THR A 26 10.941 -2.074 2.591 1.00 0.00 C ATOM 0 H THR A 26 13.630 0.032 3.412 1.00 0.00 H new ATOM 0 HA THR A 26 12.043 -0.441 1.012 1.00 0.00 H new ATOM 0 HB THR A 26 10.210 -0.101 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.122 -0.994 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.276 -2.543 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.489 -2.121 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.895 -2.601 2.580 1.00 0.00 H new ATOM 419 N VAL A 27 10.538 1.716 1.123 1.00 0.00 N ATOM 420 CA VAL A 27 10.007 3.053 0.889 1.00 0.00 C ATOM 421 C VAL A 27 10.035 3.887 2.165 1.00 0.00 C ATOM 422 O VAL A 27 10.561 5.000 2.182 1.00 0.00 O ATOM 423 CB VAL A 27 8.562 2.999 0.357 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.882 1.709 0.790 1.00 0.00 C ATOM 425 CG2 VAL A 27 7.775 4.212 0.828 1.00 0.00 C ATOM 0 H VAL A 27 9.974 0.963 0.728 1.00 0.00 H new ATOM 0 HA VAL A 27 10.646 3.519 0.139 1.00 0.00 H new ATOM 0 HB VAL A 27 8.593 3.017 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.862 1.688 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.436 0.856 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.860 1.657 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.757 4.157 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.750 4.229 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.253 5.121 0.462 1.00 0.00 H new ATOM 435 N LYS A 28 9.466 3.340 3.235 1.00 0.00 N ATOM 436 CA LYS A 28 9.427 4.031 4.518 1.00 0.00 C ATOM 437 C LYS A 28 10.826 4.458 4.949 1.00 0.00 C ATOM 438 O LYS A 28 11.043 5.606 5.335 1.00 0.00 O ATOM 439 CB LYS A 28 8.805 3.130 5.587 1.00 0.00 C ATOM 440 CG LYS A 28 7.739 2.191 5.047 1.00 0.00 C ATOM 441 CD LYS A 28 8.323 0.837 4.679 1.00 0.00 C ATOM 442 CE LYS A 28 8.133 -0.174 5.799 1.00 0.00 C ATOM 443 NZ LYS A 28 7.974 0.488 7.123 1.00 0.00 N ATOM 0 H LYS A 28 9.026 2.420 3.238 1.00 0.00 H new ATOM 0 HA LYS A 28 8.813 4.924 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.593 2.540 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.367 3.754 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.956 2.060 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.271 2.637 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.847 0.469 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.385 0.945 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.255 -0.786 5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.990 -0.847 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.151 -0.203 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.653 1.272 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.006 0.858 7.212 1.00 0.00 H new ATOM 457 N GLU A 29 11.772 3.526 4.880 1.00 0.00 N ATOM 458 CA GLU A 29 13.150 3.808 5.264 1.00 0.00 C ATOM 459 C GLU A 29 13.690 5.016 4.504 1.00 0.00 C ATOM 460 O GLU A 29 14.116 6.002 5.105 1.00 0.00 O ATOM 461 CB GLU A 29 14.036 2.588 5.000 1.00 0.00 C ATOM 462 CG GLU A 29 14.148 1.649 6.189 1.00 0.00 C ATOM 463 CD GLU A 29 12.803 1.337 6.816 1.00 0.00 C ATOM 464 OE1 GLU A 29 12.109 2.288 7.234 1.00 0.00 O ATOM 465 OE2 GLU A 29 12.445 0.143 6.888 1.00 0.00 O ATOM 0 H GLU A 29 11.609 2.571 4.562 1.00 0.00 H new ATOM 0 HA GLU A 29 13.164 4.035 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.637 2.037 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.033 2.927 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.620 0.720 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.800 2.096 6.940 1.00 0.00 H new ATOM 472 N VAL A 30 13.670 4.931 3.177 1.00 0.00 N ATOM 473 CA VAL A 30 14.156 6.016 2.334 1.00 0.00 C ATOM 474 C VAL A 30 13.449 7.326 2.661 1.00 0.00 C ATOM 475 O VAL A 30 14.042 8.401 2.580 1.00 0.00 O ATOM 476 CB VAL A 30 13.959 5.697 0.840 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.506 6.824 -0.023 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.621 4.374 0.486 1.00 0.00 C ATOM 0 H VAL A 30 13.322 4.121 2.663 1.00 0.00 H new ATOM 0 HA VAL A 30 15.222 6.122 2.538 1.00 0.00 H new ATOM 0 HB VAL A 30 12.891 5.606 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.358 6.581 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.982 7.750 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.571 6.949 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.472 4.164 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.689 4.433 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.177 3.575 1.080 1.00 0.00 H new ATOM 488 N MET A 31 12.176 7.228 3.031 1.00 0.00 N ATOM 489 CA MET A 31 11.387 8.406 3.373 1.00 0.00 C ATOM 490 C MET A 31 11.855 9.009 4.693 1.00 0.00 C ATOM 491 O MET A 31 11.799 10.224 4.886 1.00 0.00 O ATOM 492 CB MET A 31 9.903 8.044 3.461 1.00 0.00 C ATOM 493 CG MET A 31 9.350 8.086 4.876 1.00 0.00 C ATOM 494 SD MET A 31 9.119 9.769 5.482 1.00 0.00 S ATOM 495 CE MET A 31 9.228 10.697 3.954 1.00 0.00 C ATOM 0 H MET A 31 11.669 6.346 3.102 1.00 0.00 H new ATOM 0 HA MET A 31 11.526 9.147 2.586 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.332 8.731 2.836 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.756 7.044 3.052 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.396 7.559 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.028 7.554 5.543 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.981 11.742 4.144 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.242 10.630 3.559 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.527 10.285 3.228 1.00 0.00 H new ATOM 505 N HIS A 32 12.315 8.153 5.600 1.00 0.00 N ATOM 506 CA HIS A 32 12.792 8.603 6.903 1.00 0.00 C ATOM 507 C HIS A 32 14.156 9.275 6.779 1.00 0.00 C ATOM 508 O HIS A 32 14.464 10.216 7.511 1.00 0.00 O ATOM 509 CB HIS A 32 12.878 7.424 7.873 1.00 0.00 C ATOM 510 CG HIS A 32 12.803 7.827 9.313 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.834 7.360 10.176 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.585 8.656 10.042 1.00 0.00 C ATOM 513 CE1 HIS A 32 12.022 7.887 11.373 1.00 0.00 C ATOM 514 NE2 HIS A 32 13.079 8.677 11.319 1.00 0.00 N ATOM 0 H HIS A 32 12.368 7.144 5.457 1.00 0.00 H new ATOM 0 HA HIS A 32 12.081 9.332 7.291 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.069 6.726 7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.813 6.891 7.702 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.447 9.200 9.686 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.415 7.703 12.247 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.458 9.215 12.098 1.00 0.00 H new ATOM 522 N TYR A 33 14.970 8.785 5.850 1.00 0.00 N ATOM 523 CA TYR A 33 16.302 9.337 5.633 1.00 0.00 C ATOM 524 C TYR A 33 16.225 10.680 4.913 1.00 0.00 C ATOM 525 O TYR A 33 17.011 11.589 5.183 1.00 0.00 O ATOM 526 CB TYR A 33 17.155 8.359 4.823 1.00 0.00 C ATOM 527 CG TYR A 33 17.533 7.110 5.586 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.111 7.191 6.848 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.314 5.849 5.046 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.458 6.052 7.548 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.657 4.705 5.740 1.00 0.00 C ATOM 532 CZ TYR A 33 18.229 4.811 6.991 1.00 0.00 C ATOM 533 OH TYR A 33 18.573 3.674 7.685 1.00 0.00 O ATOM 0 H TYR A 33 14.731 8.007 5.235 1.00 0.00 H new ATOM 0 HA TYR A 33 16.766 9.494 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.610 8.074 3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.064 8.865 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.292 8.161 7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.868 5.762 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.907 6.133 8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.478 3.733 5.306 1.00 0.00 H new ATOM 0 HH TYR A 33 18.344 2.884 7.152 1.00 0.00 H new ATOM 543 N LEU A 34 15.272 10.797 3.995 1.00 0.00 N ATOM 544 CA LEU A 34 15.090 12.029 3.234 1.00 0.00 C ATOM 545 C LEU A 34 15.021 13.237 4.163 1.00 0.00 C ATOM 546 O LEU A 34 15.823 14.163 4.053 1.00 0.00 O ATOM 547 CB LEU A 34 13.816 11.947 2.390 1.00 0.00 C ATOM 548 CG LEU A 34 14.019 11.773 0.885 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.729 12.983 0.299 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.802 10.500 0.596 1.00 0.00 C ATOM 0 H LEU A 34 14.614 10.055 3.759 1.00 0.00 H new ATOM 0 HA LEU A 34 15.949 12.150 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.216 11.113 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.235 12.854 2.556 1.00 0.00 H new ATOM 0 HG LEU A 34 13.040 11.688 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.865 12.841 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.130 13.877 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.702 13.100 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.937 10.392 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.777 10.555 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.253 9.640 0.981 1.00 0.00 H new ATOM 562 N GLY A 35 14.058 13.219 5.080 1.00 0.00 N ATOM 563 CA GLY A 35 13.904 14.317 6.015 1.00 0.00 C ATOM 564 C GLY A 35 15.183 14.619 6.770 1.00 0.00 C ATOM 565 O GLY A 35 15.596 15.775 6.865 1.00 0.00 O ATOM 0 H GLY A 35 13.382 12.463 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.586 15.208 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.114 14.076 6.726 1.00 0.00 H new ATOM 569 N GLN A 36 15.810 13.579 7.310 1.00 0.00 N ATOM 570 CA GLN A 36 17.049 13.740 8.062 1.00 0.00 C ATOM 571 C GLN A 36 18.145 14.337 7.185 1.00 0.00 C ATOM 572 O GLN A 36 18.943 15.156 7.642 1.00 0.00 O ATOM 573 CB GLN A 36 17.507 12.394 8.626 1.00 0.00 C ATOM 574 CG GLN A 36 18.718 11.816 7.912 1.00 0.00 C ATOM 575 CD GLN A 36 19.999 12.555 8.244 1.00 0.00 C ATOM 576 OE1 GLN A 36 20.512 13.327 7.433 1.00 0.00 O ATOM 577 NE2 GLN A 36 20.524 12.321 9.441 1.00 0.00 N ATOM 0 H GLN A 36 15.481 12.616 7.241 1.00 0.00 H new ATOM 0 HA GLN A 36 16.857 14.425 8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.742 12.514 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.683 11.683 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.828 10.766 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.551 11.851 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.065 11.673 10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.386 12.789 9.720 1.00 0.00 H new ATOM 586 N TYR A 37 18.178 13.922 5.924 1.00 0.00 N ATOM 587 CA TYR A 37 19.177 14.413 4.983 1.00 0.00 C ATOM 588 C TYR A 37 19.030 15.916 4.766 1.00 0.00 C ATOM 589 O TYR A 37 20.012 16.658 4.794 1.00 0.00 O ATOM 590 CB TYR A 37 19.055 13.680 3.646 1.00 0.00 C ATOM 591 CG TYR A 37 20.081 14.110 2.623 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.404 13.698 2.720 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.727 14.929 1.558 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.345 14.089 1.788 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.661 15.325 0.620 1.00 0.00 C ATOM 596 CZ TYR A 37 21.969 14.903 0.739 1.00 0.00 C ATOM 597 OH TYR A 37 22.903 15.294 -0.192 1.00 0.00 O ATOM 0 H TYR A 37 17.524 13.246 5.530 1.00 0.00 H new ATOM 0 HA TYR A 37 20.162 14.220 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.154 12.608 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.057 13.847 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.702 13.060 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.704 15.262 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.369 13.760 1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.369 15.962 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 37 22.475 15.864 -0.865 1.00 0.00 H new ATOM 607 N ILE A 38 17.795 16.358 4.552 1.00 0.00 N ATOM 608 CA ILE A 38 17.517 17.772 4.333 1.00 0.00 C ATOM 609 C ILE A 38 17.901 18.603 5.552 1.00 0.00 C ATOM 610 O ILE A 38 18.495 19.673 5.424 1.00 0.00 O ATOM 611 CB ILE A 38 16.030 18.010 4.011 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.633 17.255 2.740 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.753 19.498 3.857 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.145 17.270 2.468 1.00 0.00 C ATOM 0 H ILE A 38 16.971 15.757 4.526 1.00 0.00 H new ATOM 0 HA ILE A 38 18.119 18.083 3.480 1.00 0.00 H new ATOM 0 HB ILE A 38 15.430 17.632 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.154 17.693 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.969 16.221 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.698 19.650 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.002 20.012 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.360 19.899 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.937 16.716 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.618 16.805 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.806 18.300 2.354 1.00 0.00 H new ATOM 626 N MET A 39 17.560 18.102 6.734 1.00 0.00 N ATOM 627 CA MET A 39 17.872 18.797 7.978 1.00 0.00 C ATOM 628 C MET A 39 19.373 18.779 8.248 1.00 0.00 C ATOM 629 O MET A 39 19.913 19.695 8.869 1.00 0.00 O ATOM 630 CB MET A 39 17.123 18.156 9.148 1.00 0.00 C ATOM 631 CG MET A 39 18.026 17.387 10.098 1.00 0.00 C ATOM 632 SD MET A 39 17.135 16.720 11.517 1.00 0.00 S ATOM 633 CE MET A 39 15.977 18.047 11.843 1.00 0.00 C ATOM 0 H MET A 39 17.068 17.217 6.857 1.00 0.00 H new ATOM 0 HA MET A 39 17.551 19.834 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.602 18.934 9.705 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.362 17.481 8.756 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.504 16.570 9.557 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.821 18.045 10.450 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.555 17.925 12.841 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.494 19.004 11.783 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.176 18.020 11.104 1.00 0.00 H new ATOM 643 N VAL A 40 20.042 17.731 7.779 1.00 0.00 N ATOM 644 CA VAL A 40 21.481 17.595 7.970 1.00 0.00 C ATOM 645 C VAL A 40 22.248 18.561 7.074 1.00 0.00 C ATOM 646 O VAL A 40 23.257 19.136 7.483 1.00 0.00 O ATOM 647 CB VAL A 40 21.953 16.158 7.679 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.744 16.108 6.380 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.780 15.624 8.838 1.00 0.00 C ATOM 0 H VAL A 40 19.611 16.964 7.264 1.00 0.00 H new ATOM 0 HA VAL A 40 21.685 17.832 9.014 1.00 0.00 H new ATOM 0 HB VAL A 40 21.075 15.522 7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.069 15.085 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.114 16.446 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.616 16.757 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.105 14.608 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.653 16.260 8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.176 15.621 9.745 1.00 0.00 H new ATOM 659 N LYS A 41 21.763 18.736 5.850 1.00 0.00 N ATOM 660 CA LYS A 41 22.401 19.634 4.894 1.00 0.00 C ATOM 661 C LYS A 41 21.833 21.045 5.011 1.00 0.00 C ATOM 662 O LYS A 41 22.402 21.998 4.480 1.00 0.00 O ATOM 663 CB LYS A 41 22.212 19.113 3.468 1.00 0.00 C ATOM 664 CG LYS A 41 23.366 18.257 2.975 1.00 0.00 C ATOM 665 CD LYS A 41 24.685 19.008 3.042 1.00 0.00 C ATOM 666 CE LYS A 41 25.467 18.651 4.297 1.00 0.00 C ATOM 667 NZ LYS A 41 26.885 18.316 3.990 1.00 0.00 N ATOM 0 H LYS A 41 20.929 18.267 5.496 1.00 0.00 H new ATOM 0 HA LYS A 41 23.466 19.670 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.292 18.530 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.086 19.960 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.431 17.351 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.176 17.945 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.283 18.775 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.495 20.081 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.434 19.487 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.993 17.804 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.384 18.078 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.917 17.502 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.345 19.133 3.541 1.00 0.00 H new ATOM 681 N GLN A 42 20.709 21.169 5.709 1.00 0.00 N ATOM 682 CA GLN A 42 20.065 22.464 5.895 1.00 0.00 C ATOM 683 C GLN A 42 19.373 22.917 4.614 1.00 0.00 C ATOM 684 O GLN A 42 19.455 24.086 4.231 1.00 0.00 O ATOM 685 CB GLN A 42 21.092 23.510 6.332 1.00 0.00 C ATOM 686 CG GLN A 42 20.798 24.121 7.692 1.00 0.00 C ATOM 687 CD GLN A 42 21.736 23.620 8.772 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.207 24.392 9.608 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.013 22.322 8.761 1.00 0.00 N ATOM 0 H GLN A 42 20.226 20.389 6.155 1.00 0.00 H new ATOM 0 HA GLN A 42 19.311 22.358 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.080 23.049 6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.129 24.304 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.876 25.206 7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.770 23.893 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.600 21.718 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.638 21.928 9.464 1.00 0.00 H new ATOM 698 N LEU A 43 18.693 21.987 3.953 1.00 0.00 N ATOM 699 CA LEU A 43 17.987 22.290 2.714 1.00 0.00 C ATOM 700 C LEU A 43 16.496 22.483 2.970 1.00 0.00 C ATOM 701 O LEU A 43 15.658 21.843 2.333 1.00 0.00 O ATOM 702 CB LEU A 43 18.200 21.169 1.695 1.00 0.00 C ATOM 703 CG LEU A 43 18.838 21.581 0.367 1.00 0.00 C ATOM 704 CD1 LEU A 43 18.339 22.953 -0.062 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.355 21.575 0.479 1.00 0.00 C ATOM 0 H LEU A 43 18.616 21.016 4.255 1.00 0.00 H new ATOM 0 HA LEU A 43 18.391 23.219 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.825 20.403 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.235 20.709 1.484 1.00 0.00 H new ATOM 0 HG LEU A 43 18.547 20.857 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.804 23.230 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.256 22.925 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.599 23.689 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 20.791 21.871 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.665 22.277 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.697 20.573 0.739 1.00 0.00 H new ATOM 717 N TYR A 44 16.171 23.371 3.903 1.00 0.00 N ATOM 718 CA TYR A 44 14.781 23.648 4.243 1.00 0.00 C ATOM 719 C TYR A 44 14.659 24.964 5.005 1.00 0.00 C ATOM 720 O TYR A 44 15.639 25.473 5.550 1.00 0.00 O ATOM 721 CB TYR A 44 14.201 22.506 5.080 1.00 0.00 C ATOM 722 CG TYR A 44 14.841 22.368 6.443 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.205 22.139 6.571 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.081 22.466 7.602 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.794 22.012 7.814 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.661 22.342 8.849 1.00 0.00 C ATOM 727 CZ TYR A 44 16.018 22.114 8.950 1.00 0.00 C ATOM 728 OH TYR A 44 16.600 21.988 10.191 1.00 0.00 O ATOM 0 H TYR A 44 16.852 23.911 4.437 1.00 0.00 H new ATOM 0 HA TYR A 44 14.216 23.732 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.130 22.666 5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.322 21.570 4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.815 22.059 5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.018 22.642 7.526 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.856 21.834 7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.056 22.423 9.740 1.00 0.00 H new ATOM 0 HH TYR A 44 15.915 22.087 10.885 1.00 0.00 H new ATOM 738 N ASP A 45 13.448 25.510 5.040 1.00 0.00 N ATOM 739 CA ASP A 45 13.195 26.766 5.736 1.00 0.00 C ATOM 740 C ASP A 45 13.052 26.536 7.237 1.00 0.00 C ATOM 741 O ASP A 45 12.202 25.763 7.677 1.00 0.00 O ATOM 742 CB ASP A 45 11.934 27.434 5.186 1.00 0.00 C ATOM 743 CG ASP A 45 11.619 28.741 5.886 1.00 0.00 C ATOM 744 OD1 ASP A 45 10.919 28.708 6.920 1.00 0.00 O ATOM 745 OD2 ASP A 45 12.073 29.798 5.400 1.00 0.00 O ATOM 0 H ASP A 45 12.626 25.102 4.594 1.00 0.00 H new ATOM 0 HA ASP A 45 14.047 27.424 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.060 27.618 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.089 26.754 5.295 1.00 0.00 H new ATOM 750 N GLN A 46 13.889 27.212 8.017 1.00 0.00 N ATOM 751 CA GLN A 46 13.856 27.079 9.469 1.00 0.00 C ATOM 752 C GLN A 46 12.538 27.600 10.033 1.00 0.00 C ATOM 753 O GLN A 46 12.238 27.409 11.211 1.00 0.00 O ATOM 754 CB GLN A 46 15.027 27.835 10.098 1.00 0.00 C ATOM 755 CG GLN A 46 16.266 26.978 10.301 1.00 0.00 C ATOM 756 CD GLN A 46 16.290 25.763 9.394 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.248 25.999 8.088 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 16.345 24.626 9.861 1.00 0.00 N flip ATOM 0 H GLN A 46 14.598 27.857 7.668 1.00 0.00 H new ATOM 0 HA GLN A 46 13.942 26.020 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.283 28.684 9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.713 28.239 11.061 1.00 0.00 H new ATOM 0 HG2 GLN A 46 17.155 27.582 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.311 26.652 11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.376 24.491 10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.360 23.819 9.238 1.00 0.00 H new ATOM 767 N GLN A 47 11.755 28.258 9.184 1.00 0.00 N ATOM 768 CA GLN A 47 10.470 28.807 9.599 1.00 0.00 C ATOM 769 C GLN A 47 9.329 27.867 9.221 1.00 0.00 C ATOM 770 O GLN A 47 8.274 27.871 9.854 1.00 0.00 O ATOM 771 CB GLN A 47 10.247 30.180 8.962 1.00 0.00 C ATOM 772 CG GLN A 47 11.537 30.901 8.607 1.00 0.00 C ATOM 773 CD GLN A 47 12.527 30.927 9.755 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.648 30.234 9.587 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.287 31.561 10.783 1.00 0.00 N flip ATOM 0 H GLN A 47 11.988 28.424 8.205 1.00 0.00 H new ATOM 0 HA GLN A 47 10.484 28.916 10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.647 30.060 8.060 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.670 30.801 9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.996 30.413 7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.307 31.924 8.308 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.413 32.080 10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.962 31.567 11.548 1.00 0.00 H new ATOM 784 N GLU A 48 9.549 27.064 8.185 1.00 0.00 N ATOM 785 CA GLU A 48 8.538 26.120 7.722 1.00 0.00 C ATOM 786 C GLU A 48 9.185 24.829 7.229 1.00 0.00 C ATOM 787 O GLU A 48 9.415 24.657 6.032 1.00 0.00 O ATOM 788 CB GLU A 48 7.700 26.744 6.604 1.00 0.00 C ATOM 789 CG GLU A 48 8.531 27.319 5.469 1.00 0.00 C ATOM 790 CD GLU A 48 7.678 27.894 4.355 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.439 27.751 4.424 1.00 0.00 O ATOM 792 OE2 GLU A 48 8.248 28.485 3.415 1.00 0.00 O ATOM 0 H GLU A 48 10.418 27.048 7.650 1.00 0.00 H new ATOM 0 HA GLU A 48 7.887 25.881 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.025 25.988 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.079 27.535 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.184 28.099 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.174 26.538 5.063 1.00 0.00 H new ATOM 799 N GLN A 49 9.475 23.926 8.160 1.00 0.00 N ATOM 800 CA GLN A 49 10.096 22.652 7.820 1.00 0.00 C ATOM 801 C GLN A 49 9.289 21.921 6.752 1.00 0.00 C ATOM 802 O GLN A 49 9.791 21.008 6.096 1.00 0.00 O ATOM 803 CB GLN A 49 10.227 21.775 9.066 1.00 0.00 C ATOM 804 CG GLN A 49 10.666 22.540 10.305 1.00 0.00 C ATOM 805 CD GLN A 49 11.939 21.986 10.913 1.00 0.00 C ATOM 806 OE1 GLN A 49 12.223 20.792 10.806 1.00 0.00 O ATOM 807 NE2 GLN A 49 12.715 22.852 11.555 1.00 0.00 N ATOM 0 H GLN A 49 9.290 24.053 9.155 1.00 0.00 H new ATOM 0 HA GLN A 49 11.090 22.856 7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.268 21.296 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.945 20.980 8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.818 23.588 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.869 22.508 11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.441 23.832 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.585 22.537 11.984 1.00 0.00 H new ATOM 816 N HIS A 50 8.035 22.327 6.584 1.00 0.00 N ATOM 817 CA HIS A 50 7.157 21.710 5.595 1.00 0.00 C ATOM 818 C HIS A 50 7.533 22.153 4.184 1.00 0.00 C ATOM 819 O HIS A 50 6.909 21.740 3.207 1.00 0.00 O ATOM 820 CB HIS A 50 5.699 22.068 5.883 1.00 0.00 C ATOM 821 CG HIS A 50 5.394 23.524 5.714 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.911 24.315 6.735 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.509 24.334 4.636 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.740 25.548 6.291 1.00 0.00 C ATOM 825 NE2 HIS A 50 5.096 25.586 5.020 1.00 0.00 N ATOM 0 H HIS A 50 7.603 23.080 7.119 1.00 0.00 H new ATOM 0 HA HIS A 50 7.278 20.629 5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.054 21.491 5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.455 21.770 6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.860 24.049 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.372 26.382 6.869 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.069 26.411 4.421 1.00 0.00 H new ATOM 833 N MET A 51 8.555 22.996 4.086 1.00 0.00 N ATOM 834 CA MET A 51 9.014 23.494 2.794 1.00 0.00 C ATOM 835 C MET A 51 10.507 23.244 2.614 1.00 0.00 C ATOM 836 O MET A 51 11.310 23.553 3.495 1.00 0.00 O ATOM 837 CB MET A 51 8.716 24.990 2.665 1.00 0.00 C ATOM 838 CG MET A 51 7.626 25.307 1.655 1.00 0.00 C ATOM 839 SD MET A 51 7.898 24.503 0.064 1.00 0.00 S ATOM 840 CE MET A 51 9.612 24.924 -0.240 1.00 0.00 C ATOM 0 H MET A 51 9.081 23.349 4.885 1.00 0.00 H new ATOM 0 HA MET A 51 8.477 22.955 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.421 25.379 3.640 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.629 25.511 2.377 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.662 24.993 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.575 26.386 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.131 24.060 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.663 25.753 -0.946 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.087 25.216 0.697 1.00 0.00 H new ATOM 850 N VAL A 52 10.875 22.682 1.467 1.00 0.00 N ATOM 851 CA VAL A 52 12.272 22.391 1.171 1.00 0.00 C ATOM 852 C VAL A 52 12.784 23.257 0.026 1.00 0.00 C ATOM 853 O VAL A 52 12.110 23.420 -0.992 1.00 0.00 O ATOM 854 CB VAL A 52 12.472 20.907 0.806 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.930 20.630 0.475 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.994 20.012 1.939 1.00 0.00 C ATOM 0 H VAL A 52 10.224 22.419 0.727 1.00 0.00 H new ATOM 0 HA VAL A 52 12.839 22.615 2.074 1.00 0.00 H new ATOM 0 HB VAL A 52 11.876 20.684 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.052 19.577 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.234 21.246 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.551 20.868 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.142 18.968 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.562 20.234 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.935 20.192 2.123 1.00 0.00 H new ATOM 866 N TYR A 53 13.979 23.811 0.198 1.00 0.00 N ATOM 867 CA TYR A 53 14.580 24.663 -0.820 1.00 0.00 C ATOM 868 C TYR A 53 15.802 23.992 -1.440 1.00 0.00 C ATOM 869 O TYR A 53 16.890 24.567 -1.473 1.00 0.00 O ATOM 870 CB TYR A 53 14.977 26.012 -0.217 1.00 0.00 C ATOM 871 CG TYR A 53 13.869 27.040 -0.250 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.227 27.360 -1.440 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.464 27.691 0.908 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.214 28.299 -1.475 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.451 28.631 0.883 1.00 0.00 C ATOM 876 CZ TYR A 53 11.830 28.932 -0.312 1.00 0.00 C ATOM 877 OH TYR A 53 10.821 29.867 -0.342 1.00 0.00 O ATOM 0 H TYR A 53 14.550 23.685 1.033 1.00 0.00 H new ATOM 0 HA TYR A 53 13.840 24.826 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.290 25.861 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.839 26.402 -0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.525 26.866 -2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.949 27.459 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.726 28.536 -2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.147 29.127 1.793 1.00 0.00 H new ATOM 0 HH TYR A 53 10.673 30.217 0.561 1.00 0.00 H new ATOM 887 N CYS A 54 15.612 22.773 -1.932 1.00 0.00 N ATOM 888 CA CYS A 54 16.697 22.021 -2.552 1.00 0.00 C ATOM 889 C CYS A 54 17.604 22.942 -3.362 1.00 0.00 C ATOM 890 O CYS A 54 18.816 22.741 -3.422 1.00 0.00 O ATOM 891 CB CYS A 54 16.134 20.920 -3.452 1.00 0.00 C ATOM 892 SG CYS A 54 15.005 21.518 -4.731 1.00 0.00 S ATOM 0 H CYS A 54 14.717 22.284 -1.914 1.00 0.00 H new ATOM 0 HA CYS A 54 17.288 21.564 -1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.962 20.397 -3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.611 20.191 -2.833 1.00 0.00 H new ATOM 0 HG CYS A 54 14.791 22.789 -4.561 1.00 0.00 H new ATOM 898 N GLY A 55 17.006 23.953 -3.985 1.00 0.00 N ATOM 899 CA GLY A 55 17.774 24.889 -4.785 1.00 0.00 C ATOM 900 C GLY A 55 18.467 24.220 -5.956 1.00 0.00 C ATOM 901 O GLY A 55 17.964 24.241 -7.078 1.00 0.00 O ATOM 0 H GLY A 55 16.004 24.140 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.113 25.672 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.519 25.374 -4.155 1.00 0.00 H new ATOM 905 N GLY A 56 19.627 23.626 -5.694 1.00 0.00 N ATOM 906 CA GLY A 56 20.372 22.957 -6.745 1.00 0.00 C ATOM 907 C GLY A 56 21.239 21.833 -6.215 1.00 0.00 C ATOM 908 O GLY A 56 22.169 21.387 -6.888 1.00 0.00 O ATOM 0 H GLY A 56 20.064 23.596 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.675 22.558 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.000 23.684 -7.260 1.00 0.00 H new ATOM 912 N ASP A 57 20.937 21.374 -5.006 1.00 0.00 N ATOM 913 CA ASP A 57 21.697 20.295 -4.385 1.00 0.00 C ATOM 914 C ASP A 57 21.330 18.948 -5.001 1.00 0.00 C ATOM 915 O ASP A 57 20.513 18.876 -5.920 1.00 0.00 O ATOM 916 CB ASP A 57 21.445 20.266 -2.877 1.00 0.00 C ATOM 917 CG ASP A 57 22.682 20.622 -2.076 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.612 21.222 -2.656 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.720 20.303 -0.870 1.00 0.00 O ATOM 0 H ASP A 57 20.171 21.732 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 57 22.756 20.480 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.644 20.963 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.102 19.273 -2.588 1.00 0.00 H new ATOM 924 N LEU A 58 21.939 17.884 -4.489 1.00 0.00 N ATOM 925 CA LEU A 58 21.677 16.539 -4.988 1.00 0.00 C ATOM 926 C LEU A 58 20.178 16.295 -5.136 1.00 0.00 C ATOM 927 O LEU A 58 19.698 15.945 -6.215 1.00 0.00 O ATOM 928 CB LEU A 58 22.284 15.497 -4.048 1.00 0.00 C ATOM 929 CG LEU A 58 23.768 15.189 -4.256 1.00 0.00 C ATOM 930 CD1 LEU A 58 23.942 13.848 -4.951 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.435 16.297 -5.057 1.00 0.00 C ATOM 0 H LEU A 58 22.618 17.927 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 58 22.140 16.447 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.144 15.837 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.722 14.569 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 58 24.249 15.134 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.004 13.646 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.500 13.061 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.447 13.874 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.490 16.061 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.952 16.384 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.342 17.241 -4.520 1.00 0.00 H new ATOM 943 N LEU A 59 19.443 16.484 -4.045 1.00 0.00 N ATOM 944 CA LEU A 59 17.998 16.286 -4.053 1.00 0.00 C ATOM 945 C LEU A 59 17.329 17.202 -5.073 1.00 0.00 C ATOM 946 O LEU A 59 16.399 16.798 -5.769 1.00 0.00 O ATOM 947 CB LEU A 59 17.421 16.546 -2.660 1.00 0.00 C ATOM 948 CG LEU A 59 17.114 18.006 -2.323 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.149 18.091 -1.150 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.398 18.763 -2.015 1.00 0.00 C ATOM 0 H LEU A 59 19.824 16.774 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 59 17.798 15.252 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.502 15.969 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.124 16.163 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 59 16.642 18.468 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.942 19.137 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.219 17.584 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.594 17.613 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.161 19.800 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.898 18.301 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.056 18.731 -2.883 1.00 0.00 H new ATOM 962 N GLY A 60 17.811 18.439 -5.156 1.00 0.00 N ATOM 963 CA GLY A 60 17.249 19.392 -6.095 1.00 0.00 C ATOM 964 C GLY A 60 17.410 18.951 -7.536 1.00 0.00 C ATOM 965 O GLY A 60 16.476 19.054 -8.331 1.00 0.00 O ATOM 0 H GLY A 60 18.580 18.797 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.190 19.531 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.732 20.360 -5.958 1.00 0.00 H new ATOM 969 N GLU A 61 18.598 18.458 -7.873 1.00 0.00 N ATOM 970 CA GLU A 61 18.877 18.002 -9.230 1.00 0.00 C ATOM 971 C GLU A 61 18.044 16.771 -9.573 1.00 0.00 C ATOM 972 O GLU A 61 17.517 16.652 -10.680 1.00 0.00 O ATOM 973 CB GLU A 61 20.366 17.684 -9.388 1.00 0.00 C ATOM 974 CG GLU A 61 21.280 18.731 -8.775 1.00 0.00 C ATOM 975 CD GLU A 61 22.394 19.154 -9.713 1.00 0.00 C ATOM 976 OE1 GLU A 61 23.205 18.288 -10.101 1.00 0.00 O ATOM 977 OE2 GLU A 61 22.454 20.353 -10.059 1.00 0.00 O ATOM 0 H GLU A 61 19.381 18.364 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 61 18.608 18.804 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.574 16.718 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.598 17.588 -10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.691 19.606 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 61 21.714 18.336 -7.856 1.00 0.00 H new ATOM 984 N LEU A 62 17.929 15.857 -8.616 1.00 0.00 N ATOM 985 CA LEU A 62 17.160 14.633 -8.815 1.00 0.00 C ATOM 986 C LEU A 62 15.698 14.951 -9.112 1.00 0.00 C ATOM 987 O LEU A 62 15.127 14.449 -10.081 1.00 0.00 O ATOM 988 CB LEU A 62 17.258 13.739 -7.578 1.00 0.00 C ATOM 989 CG LEU A 62 16.310 12.540 -7.540 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.595 11.597 -8.698 1.00 0.00 C ATOM 991 CD2 LEU A 62 16.430 11.807 -6.211 1.00 0.00 C ATOM 0 H LEU A 62 18.358 15.940 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 62 17.579 14.105 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.281 13.371 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.072 14.352 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 62 15.288 12.906 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.911 10.750 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.457 12.126 -9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.622 11.238 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.748 10.957 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.453 11.453 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.175 12.485 -5.397 1.00 0.00 H new ATOM 1003 N LEU A 63 15.098 15.789 -8.275 1.00 0.00 N ATOM 1004 CA LEU A 63 13.703 16.177 -8.449 1.00 0.00 C ATOM 1005 C LEU A 63 13.521 17.001 -9.719 1.00 0.00 C ATOM 1006 O LEU A 63 12.504 16.891 -10.403 1.00 0.00 O ATOM 1007 CB LEU A 63 13.219 16.975 -7.236 1.00 0.00 C ATOM 1008 CG LEU A 63 12.053 16.367 -6.455 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.216 16.628 -4.965 1.00 0.00 C ATOM 1010 CD2 LEU A 63 10.729 16.926 -6.954 1.00 0.00 C ATOM 0 H LEU A 63 15.556 16.213 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 63 13.108 15.268 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.059 17.106 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.925 17.969 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 63 12.054 15.289 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.378 16.188 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.147 16.180 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.241 17.703 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.910 16.483 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.718 18.008 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.609 16.689 -8.011 1.00 0.00 H new ATOM 1022 N GLY A 64 14.516 17.827 -10.030 1.00 0.00 N ATOM 1023 CA GLY A 64 14.447 18.656 -11.219 1.00 0.00 C ATOM 1024 C GLY A 64 13.771 19.988 -10.959 1.00 0.00 C ATOM 1025 O GLY A 64 13.677 20.829 -11.853 1.00 0.00 O ATOM 0 H GLY A 64 15.368 17.937 -9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.455 18.831 -11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.904 18.123 -11.999 1.00 0.00 H new ATOM 1029 N ARG A 65 13.296 20.179 -9.733 1.00 0.00 N ATOM 1030 CA ARG A 65 12.622 21.416 -9.358 1.00 0.00 C ATOM 1031 C ARG A 65 13.520 22.280 -8.477 1.00 0.00 C ATOM 1032 O ARG A 65 14.595 21.850 -8.062 1.00 0.00 O ATOM 1033 CB ARG A 65 11.314 21.109 -8.626 1.00 0.00 C ATOM 1034 CG ARG A 65 10.740 19.741 -8.955 1.00 0.00 C ATOM 1035 CD ARG A 65 10.766 19.470 -10.451 1.00 0.00 C ATOM 1036 NE ARG A 65 10.774 20.705 -11.231 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.733 21.525 -11.319 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.606 21.242 -10.680 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.817 22.630 -12.049 1.00 0.00 N ATOM 0 H ARG A 65 13.365 19.492 -8.982 1.00 0.00 H new ATOM 0 HA ARG A 65 12.398 21.968 -10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.485 21.173 -7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.578 21.873 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.310 18.971 -8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.715 19.678 -8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.649 18.880 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.897 18.873 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 65 11.626 20.951 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.537 20.393 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.808 21.874 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.682 22.850 -12.543 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.017 23.259 -12.116 1.00 0.00 H new ATOM 1053 N GLN A 66 13.070 23.499 -8.197 1.00 0.00 N ATOM 1054 CA GLN A 66 13.834 24.422 -7.367 1.00 0.00 C ATOM 1055 C GLN A 66 13.528 24.205 -5.888 1.00 0.00 C ATOM 1056 O GLN A 66 14.404 24.349 -5.036 1.00 0.00 O ATOM 1057 CB GLN A 66 13.524 25.868 -7.757 1.00 0.00 C ATOM 1058 CG GLN A 66 13.590 26.122 -9.255 1.00 0.00 C ATOM 1059 CD GLN A 66 12.659 27.232 -9.700 1.00 0.00 C ATOM 1060 OE1 GLN A 66 12.223 28.053 -8.893 1.00 0.00 O ATOM 1061 NE2 GLN A 66 12.350 27.263 -10.991 1.00 0.00 N ATOM 0 H GLN A 66 12.181 23.870 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 66 14.894 24.228 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.529 26.127 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.228 26.530 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.613 26.378 -9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.336 25.205 -9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.735 26.562 -11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.728 27.988 -11.349 1.00 0.00 H new ATOM 1070 N SER A 67 12.279 23.859 -5.592 1.00 0.00 N ATOM 1071 CA SER A 67 11.856 23.627 -4.216 1.00 0.00 C ATOM 1072 C SER A 67 10.615 22.740 -4.172 1.00 0.00 C ATOM 1073 O SER A 67 9.871 22.645 -5.148 1.00 0.00 O ATOM 1074 CB SER A 67 11.572 24.957 -3.516 1.00 0.00 C ATOM 1075 OG SER A 67 11.278 25.975 -4.456 1.00 0.00 O ATOM 0 H SER A 67 11.543 23.733 -6.287 1.00 0.00 H new ATOM 0 HA SER A 67 12.665 23.116 -3.694 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.734 24.838 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.435 25.248 -2.918 1.00 0.00 H new ATOM 0 HG SER A 67 11.098 26.815 -3.984 1.00 0.00 H new ATOM 1081 N PHE A 68 10.399 22.093 -3.032 1.00 0.00 N ATOM 1082 CA PHE A 68 9.249 21.213 -2.859 1.00 0.00 C ATOM 1083 C PHE A 68 8.781 21.208 -1.406 1.00 0.00 C ATOM 1084 O PHE A 68 9.583 21.359 -0.484 1.00 0.00 O ATOM 1085 CB PHE A 68 9.598 19.790 -3.298 1.00 0.00 C ATOM 1086 CG PHE A 68 10.746 19.192 -2.536 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.532 18.546 -1.329 1.00 0.00 C ATOM 1088 CD2 PHE A 68 12.039 19.275 -3.026 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.587 17.995 -0.625 1.00 0.00 C ATOM 1090 CE2 PHE A 68 13.098 18.726 -2.327 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.871 18.085 -1.126 1.00 0.00 C ATOM 0 H PHE A 68 11.005 22.161 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 68 8.438 21.590 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.721 19.155 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.841 19.795 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.530 18.472 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.222 19.775 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.407 17.495 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.101 18.799 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.696 17.654 -0.579 1.00 0.00 H new ATOM 1101 N SER A 69 7.478 21.035 -1.211 1.00 0.00 N ATOM 1102 CA SER A 69 6.902 21.015 0.129 1.00 0.00 C ATOM 1103 C SER A 69 6.777 19.584 0.645 1.00 0.00 C ATOM 1104 O SER A 69 6.422 18.671 -0.100 1.00 0.00 O ATOM 1105 CB SER A 69 5.529 21.689 0.126 1.00 0.00 C ATOM 1106 OG SER A 69 5.406 22.592 -0.959 1.00 0.00 O ATOM 0 H SER A 69 6.801 20.907 -1.963 1.00 0.00 H new ATOM 0 HA SER A 69 7.568 21.566 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.748 20.931 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.380 22.222 1.065 1.00 0.00 H new ATOM 0 HG SER A 69 6.080 23.298 -0.875 1.00 0.00 H new ATOM 1112 N VAL A 70 7.073 19.397 1.928 1.00 0.00 N ATOM 1113 CA VAL A 70 6.994 18.079 2.546 1.00 0.00 C ATOM 1114 C VAL A 70 5.549 17.703 2.854 1.00 0.00 C ATOM 1115 O VAL A 70 5.143 16.555 2.675 1.00 0.00 O ATOM 1116 CB VAL A 70 7.817 18.019 3.846 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.907 19.080 3.838 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.912 18.182 5.058 1.00 0.00 C ATOM 0 H VAL A 70 7.370 20.142 2.559 1.00 0.00 H new ATOM 0 HA VAL A 70 7.407 17.368 1.830 1.00 0.00 H new ATOM 0 HB VAL A 70 8.295 17.041 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.478 19.022 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.572 18.912 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.453 20.067 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.511 18.137 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.403 19.145 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.173 17.381 5.070 1.00 0.00 H new ATOM 1128 N LYS A 71 4.776 18.678 3.319 1.00 0.00 N ATOM 1129 CA LYS A 71 3.374 18.452 3.652 1.00 0.00 C ATOM 1130 C LYS A 71 2.580 18.045 2.414 1.00 0.00 C ATOM 1131 O LYS A 71 1.439 17.595 2.518 1.00 0.00 O ATOM 1132 CB LYS A 71 2.765 19.713 4.269 1.00 0.00 C ATOM 1133 CG LYS A 71 1.710 19.425 5.323 1.00 0.00 C ATOM 1134 CD LYS A 71 1.497 20.617 6.240 1.00 0.00 C ATOM 1135 CE LYS A 71 2.527 20.650 7.359 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.978 21.267 8.599 1.00 0.00 N ATOM 0 H LYS A 71 5.097 19.634 3.474 1.00 0.00 H new ATOM 0 HA LYS A 71 3.325 17.640 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.560 20.309 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.321 20.317 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.769 19.167 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.011 18.560 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.558 21.538 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.495 20.574 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.861 19.635 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.402 21.211 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.710 21.271 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.682 22.244 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.158 20.717 8.927 1.00 0.00 H new ATOM 1150 N ASP A 72 3.192 18.204 1.246 1.00 0.00 N ATOM 1151 CA ASP A 72 2.543 17.851 -0.011 1.00 0.00 C ATOM 1152 C ASP A 72 3.342 16.785 -0.754 1.00 0.00 C ATOM 1153 O ASP A 72 4.291 17.079 -1.482 1.00 0.00 O ATOM 1154 CB ASP A 72 2.381 19.090 -0.892 1.00 0.00 C ATOM 1155 CG ASP A 72 1.651 18.789 -2.187 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.939 17.765 -2.242 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.794 19.577 -3.145 1.00 0.00 O ATOM 0 H ASP A 72 4.137 18.575 1.143 1.00 0.00 H new ATOM 0 HA ASP A 72 1.557 17.447 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.835 19.856 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.364 19.501 -1.120 1.00 0.00 H new ATOM 1162 N PRO A 73 2.953 15.515 -0.567 1.00 0.00 N ATOM 1163 CA PRO A 73 3.620 14.379 -1.211 1.00 0.00 C ATOM 1164 C PRO A 73 3.371 14.337 -2.715 1.00 0.00 C ATOM 1165 O PRO A 73 2.934 13.320 -3.253 1.00 0.00 O ATOM 1166 CB PRO A 73 2.986 13.163 -0.530 1.00 0.00 C ATOM 1167 CG PRO A 73 1.652 13.640 -0.069 1.00 0.00 C ATOM 1168 CD PRO A 73 1.830 15.090 0.286 1.00 0.00 C ATOM 0 HA PRO A 73 4.704 14.428 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.890 12.327 -1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.593 12.816 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.903 13.519 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.309 13.067 0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.929 15.667 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.058 15.220 1.344 1.00 0.00 H new ATOM 1176 N SER A 74 3.653 15.448 -3.388 1.00 0.00 N ATOM 1177 CA SER A 74 3.457 15.539 -4.830 1.00 0.00 C ATOM 1178 C SER A 74 4.764 15.280 -5.573 1.00 0.00 C ATOM 1179 O SER A 74 4.933 14.266 -6.250 1.00 0.00 O ATOM 1180 CB SER A 74 2.907 16.917 -5.205 1.00 0.00 C ATOM 1181 OG SER A 74 1.508 16.865 -5.423 1.00 0.00 O ATOM 0 H SER A 74 4.018 16.298 -2.958 1.00 0.00 H new ATOM 0 HA SER A 74 2.736 14.776 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.128 17.629 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.405 17.279 -6.104 1.00 0.00 H new ATOM 0 HG SER A 74 1.180 17.758 -5.659 1.00 0.00 H new ATOM 1187 N PRO A 75 5.712 16.220 -5.445 1.00 0.00 N ATOM 1188 CA PRO A 75 7.021 16.118 -6.097 1.00 0.00 C ATOM 1189 C PRO A 75 7.888 15.021 -5.487 1.00 0.00 C ATOM 1190 O PRO A 75 8.758 14.460 -6.154 1.00 0.00 O ATOM 1191 CB PRO A 75 7.648 17.492 -5.852 1.00 0.00 C ATOM 1192 CG PRO A 75 6.981 17.999 -4.620 1.00 0.00 C ATOM 1193 CD PRO A 75 5.580 17.455 -4.654 1.00 0.00 C ATOM 0 HA PRO A 75 6.932 15.857 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.727 17.416 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.480 18.160 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.508 17.665 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.976 19.089 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.204 17.252 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.888 18.157 -5.118 1.00 0.00 H new ATOM 1201 N LEU A 76 7.645 14.719 -4.217 1.00 0.00 N ATOM 1202 CA LEU A 76 8.403 13.688 -3.517 1.00 0.00 C ATOM 1203 C LEU A 76 8.231 12.331 -4.193 1.00 0.00 C ATOM 1204 O LEU A 76 9.205 11.712 -4.622 1.00 0.00 O ATOM 1205 CB LEU A 76 7.957 13.602 -2.056 1.00 0.00 C ATOM 1206 CG LEU A 76 8.708 12.596 -1.183 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.056 13.159 -0.760 1.00 0.00 C ATOM 1208 CD2 LEU A 76 7.877 12.224 0.037 1.00 0.00 C ATOM 0 H LEU A 76 6.929 15.173 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 76 9.458 13.961 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.059 14.590 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.897 13.351 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 76 8.882 11.693 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.576 12.430 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.654 13.375 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.905 14.077 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.427 11.507 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.672 13.119 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.936 11.779 -0.286 1.00 0.00 H new ATOM 1220 N TYR A 77 6.986 11.877 -4.287 1.00 0.00 N ATOM 1221 CA TYR A 77 6.686 10.594 -4.912 1.00 0.00 C ATOM 1222 C TYR A 77 6.989 10.631 -6.406 1.00 0.00 C ATOM 1223 O TYR A 77 7.545 9.684 -6.962 1.00 0.00 O ATOM 1224 CB TYR A 77 5.219 10.224 -4.686 1.00 0.00 C ATOM 1225 CG TYR A 77 4.926 9.732 -3.287 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.251 8.437 -2.903 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.325 10.562 -2.349 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.985 7.982 -1.626 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.056 10.116 -1.069 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.388 8.826 -0.713 1.00 0.00 C ATOM 1231 OH TYR A 77 4.121 8.378 0.561 1.00 0.00 O ATOM 0 H TYR A 77 6.169 12.378 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 77 7.320 9.837 -4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.598 11.095 -4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.934 9.452 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.720 7.774 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.064 11.573 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.243 6.972 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.588 10.774 -0.352 1.00 0.00 H new ATOM 0 HH TYR A 77 3.190 8.580 0.790 1.00 0.00 H new ATOM 1241 N ASP A 78 6.620 11.733 -7.050 1.00 0.00 N ATOM 1242 CA ASP A 78 6.854 11.897 -8.481 1.00 0.00 C ATOM 1243 C ASP A 78 8.323 11.670 -8.821 1.00 0.00 C ATOM 1244 O ASP A 78 8.648 11.088 -9.856 1.00 0.00 O ATOM 1245 CB ASP A 78 6.422 13.293 -8.933 1.00 0.00 C ATOM 1246 CG ASP A 78 5.876 13.300 -10.347 1.00 0.00 C ATOM 1247 OD1 ASP A 78 6.521 12.705 -11.235 1.00 0.00 O ATOM 1248 OD2 ASP A 78 4.804 13.901 -10.565 1.00 0.00 O ATOM 0 H ASP A 78 6.158 12.526 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 78 6.259 11.152 -9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.662 13.673 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.273 13.971 -8.872 1.00 0.00 H new ATOM 1253 N MET A 79 9.207 12.135 -7.944 1.00 0.00 N ATOM 1254 CA MET A 79 10.642 11.983 -8.152 1.00 0.00 C ATOM 1255 C MET A 79 11.082 10.548 -7.877 1.00 0.00 C ATOM 1256 O MET A 79 11.766 9.930 -8.694 1.00 0.00 O ATOM 1257 CB MET A 79 11.415 12.947 -7.251 1.00 0.00 C ATOM 1258 CG MET A 79 12.607 12.308 -6.557 1.00 0.00 C ATOM 1259 SD MET A 79 13.517 13.472 -5.524 1.00 0.00 S ATOM 1260 CE MET A 79 12.760 13.174 -3.929 1.00 0.00 C ATOM 0 H MET A 79 8.955 12.620 -7.083 1.00 0.00 H new ATOM 0 HA MET A 79 10.860 12.218 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.762 13.790 -7.848 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.738 13.348 -6.497 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.262 11.476 -5.943 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.279 11.892 -7.308 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.218 13.822 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.692 13.386 -3.988 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.908 12.132 -3.645 1.00 0.00 H new ATOM 1270 N LEU A 80 10.686 10.024 -6.723 1.00 0.00 N ATOM 1271 CA LEU A 80 11.040 8.661 -6.340 1.00 0.00 C ATOM 1272 C LEU A 80 10.673 7.673 -7.442 1.00 0.00 C ATOM 1273 O LEU A 80 11.366 6.677 -7.653 1.00 0.00 O ATOM 1274 CB LEU A 80 10.334 8.277 -5.038 1.00 0.00 C ATOM 1275 CG LEU A 80 10.665 9.134 -3.816 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.619 8.940 -2.729 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.052 8.798 -3.289 1.00 0.00 C ATOM 0 H LEU A 80 10.120 10.522 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 80 12.118 8.621 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.258 8.320 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.580 7.241 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 80 10.656 10.181 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.871 9.558 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.640 9.231 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.595 7.892 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.271 9.418 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.088 7.747 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.792 8.989 -4.066 1.00 0.00 H new ATOM 1289 N ARG A 81 9.580 7.956 -8.144 1.00 0.00 N ATOM 1290 CA ARG A 81 9.122 7.093 -9.226 1.00 0.00 C ATOM 1291 C ARG A 81 10.305 6.476 -9.967 1.00 0.00 C ATOM 1292 O ARG A 81 10.407 5.255 -10.089 1.00 0.00 O ATOM 1293 CB ARG A 81 8.250 7.883 -10.203 1.00 0.00 C ATOM 1294 CG ARG A 81 7.171 7.046 -10.870 1.00 0.00 C ATOM 1295 CD ARG A 81 6.976 7.445 -12.324 1.00 0.00 C ATOM 1296 NE ARG A 81 6.804 6.284 -13.193 1.00 0.00 N ATOM 1297 CZ ARG A 81 5.764 5.461 -13.123 1.00 0.00 C ATOM 1298 NH1 ARG A 81 4.807 5.672 -12.230 1.00 0.00 N ATOM 1299 NH2 ARG A 81 5.679 4.425 -13.948 1.00 0.00 N ATOM 0 H ARG A 81 8.996 8.776 -7.983 1.00 0.00 H new ATOM 0 HA ARG A 81 8.529 6.289 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.780 8.709 -9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.886 8.321 -10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.440 5.991 -10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.232 7.164 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.103 8.093 -12.408 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.836 8.024 -12.659 1.00 0.00 H new ATOM 0 HE ARG A 81 7.522 6.095 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.869 6.468 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.009 5.039 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.413 4.260 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.880 3.794 -13.893 1.00 0.00 H new ATOM 1313 N LYS A 82 11.196 7.329 -10.461 1.00 0.00 N ATOM 1314 CA LYS A 82 12.372 6.869 -11.191 1.00 0.00 C ATOM 1315 C LYS A 82 13.633 7.036 -10.349 1.00 0.00 C ATOM 1316 O LYS A 82 14.727 6.662 -10.772 1.00 0.00 O ATOM 1317 CB LYS A 82 12.517 7.641 -12.504 1.00 0.00 C ATOM 1318 CG LYS A 82 13.497 8.799 -12.424 1.00 0.00 C ATOM 1319 CD LYS A 82 13.009 9.879 -11.473 1.00 0.00 C ATOM 1320 CE LYS A 82 11.669 10.446 -11.915 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.466 11.837 -11.423 1.00 0.00 N ATOM 0 H LYS A 82 11.126 8.342 -10.369 1.00 0.00 H new ATOM 0 HA LYS A 82 12.241 5.810 -11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.842 6.954 -13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.540 8.023 -12.801 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.468 8.432 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.640 9.225 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.917 9.466 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.746 10.681 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.611 10.434 -13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.865 9.809 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.483 11.952 -11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.112 12.022 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.660 12.509 -12.192 1.00 0.00 H new ATOM 1335 N ASN A 83 13.473 7.598 -9.155 1.00 0.00 N ATOM 1336 CA ASN A 83 14.599 7.813 -8.254 1.00 0.00 C ATOM 1337 C ASN A 83 14.792 6.615 -7.330 1.00 0.00 C ATOM 1338 O ASN A 83 15.879 6.038 -7.261 1.00 0.00 O ATOM 1339 CB ASN A 83 14.382 9.081 -7.426 1.00 0.00 C ATOM 1340 CG ASN A 83 14.736 8.884 -5.964 1.00 0.00 C ATOM 1341 OD1 ASN A 83 13.923 9.143 -5.077 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.955 8.424 -5.708 1.00 0.00 N ATOM 0 H ASN A 83 12.574 7.913 -8.789 1.00 0.00 H new ATOM 0 HA ASN A 83 15.498 7.932 -8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.987 9.889 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.340 9.390 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.251 8.272 -4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.596 8.223 -6.476 1.00 0.00 H new ATOM 1349 N LEU A 84 13.732 6.245 -6.620 1.00 0.00 N ATOM 1350 CA LEU A 84 13.783 5.114 -5.700 1.00 0.00 C ATOM 1351 C LEU A 84 13.751 3.792 -6.459 1.00 0.00 C ATOM 1352 O LEU A 84 12.682 3.288 -6.804 1.00 0.00 O ATOM 1353 CB LEU A 84 12.614 5.179 -4.715 1.00 0.00 C ATOM 1354 CG LEU A 84 12.916 4.731 -3.285 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.289 5.220 -2.851 1.00 0.00 C ATOM 1356 CD2 LEU A 84 11.842 5.235 -2.331 1.00 0.00 C ATOM 0 H LEU A 84 12.826 6.712 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 84 14.720 5.170 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.248 6.205 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.803 4.563 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 84 12.916 3.641 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.486 4.892 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.048 4.811 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.318 6.309 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.073 4.907 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.810 6.324 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.873 4.835 -2.630 1.00 0.00 H new ATOM 1368 N VAL A 85 14.929 3.233 -6.715 1.00 0.00 N ATOM 1369 CA VAL A 85 15.036 1.967 -7.431 1.00 0.00 C ATOM 1370 C VAL A 85 14.278 0.861 -6.706 1.00 0.00 C ATOM 1371 O VAL A 85 14.861 0.087 -5.946 1.00 0.00 O ATOM 1372 CB VAL A 85 16.507 1.541 -7.600 1.00 0.00 C ATOM 1373 CG1 VAL A 85 16.601 0.047 -7.872 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.167 2.337 -8.715 1.00 0.00 C ATOM 0 H VAL A 85 15.823 3.637 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 85 14.595 2.121 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 85 17.038 1.752 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.647 -0.236 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.167 -0.503 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.056 -0.191 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.206 2.023 -8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.637 2.160 -9.651 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.132 3.399 -8.474 1.00 0.00 H new ATOM 1384 N THR A 86 12.972 0.791 -6.946 1.00 0.00 N ATOM 1385 CA THR A 86 12.132 -0.220 -6.316 1.00 0.00 C ATOM 1386 C THR A 86 11.810 -1.350 -7.288 1.00 0.00 C ATOM 1387 O THR A 86 11.700 -1.132 -8.495 1.00 0.00 O ATOM 1388 CB THR A 86 10.815 0.387 -5.798 1.00 0.00 C ATOM 1389 OG1 THR A 86 10.022 0.847 -6.898 1.00 0.00 O ATOM 1390 CG2 THR A 86 11.089 1.541 -4.846 1.00 0.00 C ATOM 0 H THR A 86 12.473 1.423 -7.572 1.00 0.00 H new ATOM 0 HA THR A 86 12.696 -0.619 -5.473 1.00 0.00 H new ATOM 0 HB THR A 86 10.271 -0.388 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.185 1.230 -6.561 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.144 1.954 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.668 1.181 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.652 2.316 -5.366 1.00 0.00 H new ATOM 1398 N LEU A 87 11.661 -2.558 -6.754 1.00 0.00 N ATOM 1399 CA LEU A 87 11.350 -3.723 -7.575 1.00 0.00 C ATOM 1400 C LEU A 87 9.934 -4.219 -7.302 1.00 0.00 C ATOM 1401 O LEU A 87 9.406 -4.047 -6.204 1.00 0.00 O ATOM 1402 CB LEU A 87 12.356 -4.844 -7.305 1.00 0.00 C ATOM 1403 CG LEU A 87 13.169 -4.720 -6.016 1.00 0.00 C ATOM 1404 CD1 LEU A 87 13.860 -6.036 -5.692 1.00 0.00 C ATOM 1405 CD2 LEU A 87 14.187 -3.595 -6.132 1.00 0.00 C ATOM 0 H LEU A 87 11.750 -2.756 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 87 11.416 -3.427 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.817 -5.791 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.049 -4.893 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 87 12.486 -4.481 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.434 -5.929 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.112 -6.818 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.530 -6.306 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.756 -3.522 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.866 -3.802 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.669 -2.653 -6.315 1.00 0.00 H new ATOM 1417 N ALA A 88 9.325 -4.838 -8.308 1.00 0.00 N ATOM 1418 CA ALA A 88 7.972 -5.363 -8.176 1.00 0.00 C ATOM 1419 C ALA A 88 6.934 -4.270 -8.404 1.00 0.00 C ATOM 1420 O ALA A 88 7.144 -3.113 -8.036 1.00 0.00 O ATOM 1421 CB ALA A 88 7.783 -5.996 -6.805 1.00 0.00 C ATOM 0 H ALA A 88 9.748 -4.988 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 88 7.829 -6.127 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.768 -6.384 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.495 -6.812 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.951 -5.246 -6.032 1.00 0.00 H new ATOM 1427 N THR A 89 5.813 -4.642 -9.013 1.00 0.00 N ATOM 1428 CA THR A 89 4.743 -3.692 -9.292 1.00 0.00 C ATOM 1429 C THR A 89 5.297 -2.388 -9.852 1.00 0.00 C ATOM 1430 O THR A 89 6.428 -2.374 -10.337 1.00 0.00 O ATOM 1431 CB THR A 89 3.920 -3.385 -8.026 1.00 0.00 C ATOM 1432 OG1 THR A 89 3.969 -4.500 -7.128 1.00 0.00 O ATOM 1433 CG2 THR A 89 2.474 -3.078 -8.382 1.00 0.00 C ATOM 0 H THR A 89 5.622 -5.595 -9.323 1.00 0.00 H new ATOM 0 HA THR A 89 4.094 -4.156 -10.035 1.00 0.00 H new ATOM 0 HB THR A 89 4.352 -2.509 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.445 -4.297 -6.325 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.913 -2.865 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.438 -2.212 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.033 -3.938 -8.887 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 6.923 19.980 22.844 1.00 0.00 N ATOM 1443 CA SER B 115 6.982 21.436 22.787 1.00 0.00 C ATOM 1444 C SER B 115 7.822 21.899 21.601 1.00 0.00 C ATOM 1445 O SER B 115 7.333 22.602 20.717 1.00 0.00 O ATOM 1446 CB SER B 115 7.561 21.995 24.088 1.00 0.00 C ATOM 1447 OG SER B 115 8.327 21.015 24.768 1.00 0.00 O ATOM 0 HA SER B 115 5.967 21.812 22.659 1.00 0.00 H new ATOM 0 HB2 SER B 115 8.185 22.862 23.869 1.00 0.00 H new ATOM 0 HB3 SER B 115 6.752 22.339 24.732 1.00 0.00 H new ATOM 0 HG SER B 115 8.215 20.147 24.326 1.00 0.00 H new ATOM 1453 N GLN B 116 9.090 21.501 21.592 1.00 0.00 N ATOM 1454 CA GLN B 116 10.000 21.876 20.516 1.00 0.00 C ATOM 1455 C GLN B 116 9.288 21.850 19.167 1.00 0.00 C ATOM 1456 O GLN B 116 8.924 22.895 18.627 1.00 0.00 O ATOM 1457 CB GLN B 116 11.206 20.935 20.487 1.00 0.00 C ATOM 1458 CG GLN B 116 12.113 21.072 21.700 1.00 0.00 C ATOM 1459 CD GLN B 116 12.597 22.493 21.909 1.00 0.00 C ATOM 1460 OE1 GLN B 116 12.575 23.011 23.026 1.00 0.00 O ATOM 1461 NE2 GLN B 116 13.039 23.132 20.832 1.00 0.00 N ATOM 0 H GLN B 116 9.510 20.919 22.317 1.00 0.00 H new ATOM 0 HA GLN B 116 10.346 22.892 20.705 1.00 0.00 H new ATOM 0 HB2 GLN B 116 10.852 19.906 20.422 1.00 0.00 H new ATOM 0 HB3 GLN B 116 11.787 21.130 19.585 1.00 0.00 H new ATOM 0 HG2 GLN B 116 11.577 20.740 22.589 1.00 0.00 H new ATOM 0 HG3 GLN B 116 12.973 20.413 21.582 1.00 0.00 H new ATOM 0 HE21 GLN B 116 13.039 22.664 19.926 1.00 0.00 H new ATOM 0 HE22 GLN B 116 13.378 24.091 20.911 1.00 0.00 H new ATOM 1470 N GLU B 117 9.094 20.650 18.629 1.00 0.00 N ATOM 1471 CA GLU B 117 8.426 20.490 17.342 1.00 0.00 C ATOM 1472 C GLU B 117 9.360 20.864 16.195 1.00 0.00 C ATOM 1473 O GLU B 117 10.137 21.814 16.295 1.00 0.00 O ATOM 1474 CB GLU B 117 7.162 21.351 17.288 1.00 0.00 C ATOM 1475 CG GLU B 117 7.291 22.564 16.382 1.00 0.00 C ATOM 1476 CD GLU B 117 7.123 22.218 14.916 1.00 0.00 C ATOM 1477 OE1 GLU B 117 6.566 21.139 14.621 1.00 0.00 O ATOM 1478 OE2 GLU B 117 7.549 23.024 14.062 1.00 0.00 O ATOM 0 H GLU B 117 9.389 19.776 19.063 1.00 0.00 H new ATOM 0 HA GLU B 117 8.147 19.442 17.233 1.00 0.00 H new ATOM 0 HB2 GLU B 117 6.329 20.738 16.944 1.00 0.00 H new ATOM 0 HB3 GLU B 117 6.917 21.685 18.296 1.00 0.00 H new ATOM 0 HG2 GLU B 117 6.543 23.305 16.665 1.00 0.00 H new ATOM 0 HG3 GLU B 117 8.268 23.023 16.533 1.00 0.00 H new ATOM 1485 N THR B 118 9.278 20.110 15.103 1.00 0.00 N ATOM 1486 CA THR B 118 10.115 20.360 13.937 1.00 0.00 C ATOM 1487 C THR B 118 9.735 19.443 12.780 1.00 0.00 C ATOM 1488 O THR B 118 8.588 19.010 12.669 1.00 0.00 O ATOM 1489 CB THR B 118 11.607 20.164 14.264 1.00 0.00 C ATOM 1490 OG1 THR B 118 12.415 20.790 13.261 1.00 0.00 O ATOM 1491 CG2 THR B 118 11.953 18.685 14.350 1.00 0.00 C ATOM 0 H THR B 118 8.640 19.321 15.002 1.00 0.00 H new ATOM 0 HA THR B 118 9.948 21.397 13.645 1.00 0.00 H new ATOM 0 HB THR B 118 11.807 20.625 15.231 1.00 0.00 H new ATOM 0 HG1 THR B 118 13.362 20.662 13.477 1.00 0.00 H new ATOM 0 HG21 THR B 118 13.012 18.572 14.582 1.00 0.00 H new ATOM 0 HG22 THR B 118 11.358 18.217 15.134 1.00 0.00 H new ATOM 0 HG23 THR B 118 11.737 18.205 13.396 1.00 0.00 H new ATOM 1499 N PHE B 119 10.706 19.149 11.921 1.00 0.00 N ATOM 1500 CA PHE B 119 10.472 18.282 10.772 1.00 0.00 C ATOM 1501 C PHE B 119 9.751 17.004 11.191 1.00 0.00 C ATOM 1502 O PHE B 119 8.992 16.424 10.416 1.00 0.00 O ATOM 1503 CB PHE B 119 11.798 17.933 10.092 1.00 0.00 C ATOM 1504 CG PHE B 119 11.709 17.886 8.593 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.477 17.836 7.960 1.00 0.00 C ATOM 1506 CD2 PHE B 119 12.857 17.892 7.817 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.393 17.791 6.582 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.779 17.848 6.438 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.545 17.799 5.819 1.00 0.00 C ATOM 0 H PHE B 119 11.661 19.498 11.999 1.00 0.00 H new ATOM 0 HA PHE B 119 9.839 18.820 10.066 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.550 18.668 10.380 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.141 16.965 10.458 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.573 17.832 8.551 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.824 17.932 8.296 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.427 17.750 6.101 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.682 17.852 5.845 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.481 17.767 4.741 1.00 0.00 H new ATOM 1519 N SER B 120 9.995 16.572 12.425 1.00 0.00 N ATOM 1520 CA SER B 120 9.373 15.361 12.947 1.00 0.00 C ATOM 1521 C SER B 120 7.860 15.526 13.044 1.00 0.00 C ATOM 1522 O SER B 120 7.109 14.561 12.902 1.00 0.00 O ATOM 1523 CB SER B 120 9.949 15.020 14.323 1.00 0.00 C ATOM 1524 OG SER B 120 9.993 13.618 14.523 1.00 0.00 O ATOM 0 H SER B 120 10.619 17.043 13.081 1.00 0.00 H new ATOM 0 HA SER B 120 9.589 14.545 12.257 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.953 15.435 14.414 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.341 15.483 15.100 1.00 0.00 H new ATOM 0 HG SER B 120 10.366 13.425 15.408 1.00 0.00 H new ATOM 1530 N ASP B 121 7.419 16.756 13.285 1.00 0.00 N ATOM 1531 CA ASP B 121 5.995 17.049 13.400 1.00 0.00 C ATOM 1532 C ASP B 121 5.313 16.969 12.038 1.00 0.00 C ATOM 1533 O ASP B 121 4.200 16.455 11.919 1.00 0.00 O ATOM 1534 CB ASP B 121 5.786 18.437 14.009 1.00 0.00 C ATOM 1535 CG ASP B 121 4.426 19.017 13.673 1.00 0.00 C ATOM 1536 OD1 ASP B 121 3.486 18.229 13.444 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.303 20.259 13.640 1.00 0.00 O ATOM 0 H ASP B 121 8.027 17.566 13.404 1.00 0.00 H new ATOM 0 HA ASP B 121 5.546 16.302 14.055 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.894 18.376 15.092 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.564 19.110 13.648 1.00 0.00 H new ATOM 1542 N LEU B 122 5.986 17.481 11.014 1.00 0.00 N ATOM 1543 CA LEU B 122 5.444 17.469 9.659 1.00 0.00 C ATOM 1544 C LEU B 122 5.899 16.226 8.902 1.00 0.00 C ATOM 1545 O LEU B 122 5.078 15.425 8.455 1.00 0.00 O ATOM 1546 CB LEU B 122 5.877 18.727 8.904 1.00 0.00 C ATOM 1547 CG LEU B 122 6.415 19.873 9.762 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.582 21.132 8.926 1.00 0.00 C ATOM 1549 CD2 LEU B 122 5.493 20.133 10.944 1.00 0.00 C ATOM 0 H LEU B 122 6.908 17.910 11.096 1.00 0.00 H new ATOM 0 HA LEU B 122 4.356 17.451 9.729 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.646 18.448 8.183 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.024 19.096 8.334 1.00 0.00 H new ATOM 0 HG LEU B 122 7.393 19.585 10.147 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.966 21.937 9.553 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.283 20.939 8.114 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.617 21.424 8.511 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.892 20.952 11.543 1.00 0.00 H new ATOM 0 HD22 LEU B 122 4.501 20.400 10.580 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.425 19.234 11.557 1.00 0.00 H new ATOM 1561 N TRP B 123 7.211 16.071 8.764 1.00 0.00 N ATOM 1562 CA TRP B 123 7.775 14.923 8.063 1.00 0.00 C ATOM 1563 C TRP B 123 6.981 13.657 8.364 1.00 0.00 C ATOM 1564 O TRP B 123 6.545 12.954 7.452 1.00 0.00 O ATOM 1565 CB TRP B 123 9.240 14.728 8.458 1.00 0.00 C ATOM 1566 CG TRP B 123 10.003 13.863 7.501 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.622 12.679 7.781 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.229 14.117 6.110 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.219 12.180 6.649 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.992 13.043 5.609 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.859 15.144 5.238 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.391 12.972 4.278 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.257 15.072 3.916 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.015 13.992 3.446 1.00 0.00 C ATOM 0 H TRP B 123 7.904 16.725 9.128 1.00 0.00 H new ATOM 0 HA TRP B 123 7.718 15.118 6.992 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.725 15.702 8.521 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.285 14.284 9.453 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.640 12.204 8.751 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.746 11.308 6.592 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.272 15.979 5.591 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.977 12.141 3.914 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.979 15.862 3.234 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.309 13.963 2.407 1.00 0.00 H new ATOM 1585 N LYS B 124 6.797 13.371 9.648 1.00 0.00 N ATOM 1586 CA LYS B 124 6.054 12.190 10.071 1.00 0.00 C ATOM 1587 C LYS B 124 4.883 11.919 9.131 1.00 0.00 C ATOM 1588 O LYS B 124 4.602 10.769 8.787 1.00 0.00 O ATOM 1589 CB LYS B 124 5.542 12.368 11.502 1.00 0.00 C ATOM 1590 CG LYS B 124 4.470 13.436 11.636 1.00 0.00 C ATOM 1591 CD LYS B 124 4.128 13.703 13.092 1.00 0.00 C ATOM 1592 CE LYS B 124 3.242 12.608 13.666 1.00 0.00 C ATOM 1593 NZ LYS B 124 1.821 12.770 13.253 1.00 0.00 N ATOM 0 H LYS B 124 7.153 13.942 10.415 1.00 0.00 H new ATOM 0 HA LYS B 124 6.730 11.336 10.038 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.143 11.418 11.857 1.00 0.00 H new ATOM 0 HB3 LYS B 124 6.381 12.623 12.150 1.00 0.00 H new ATOM 0 HG2 LYS B 124 4.813 14.358 11.167 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.573 13.122 11.102 1.00 0.00 H new ATOM 0 HD2 LYS B 124 5.046 13.773 13.676 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.622 14.664 13.178 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.607 11.635 13.336 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.308 12.621 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 1.250 12.004 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 1.464 13.687 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 1.754 12.732 12.216 1.00 0.00 H new ATOM 1607 N LEU B 125 4.203 12.983 8.718 1.00 0.00 N ATOM 1608 CA LEU B 125 3.063 12.860 7.816 1.00 0.00 C ATOM 1609 C LEU B 125 3.305 11.768 6.778 1.00 0.00 C ATOM 1610 O LEU B 125 2.429 10.945 6.512 1.00 0.00 O ATOM 1611 CB LEU B 125 2.795 14.193 7.117 1.00 0.00 C ATOM 1612 CG LEU B 125 1.415 14.350 6.476 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.727 15.604 6.991 1.00 0.00 C ATOM 1614 CD2 LEU B 125 1.533 14.388 4.960 1.00 0.00 C ATOM 0 H LEU B 125 4.421 13.941 8.993 1.00 0.00 H new ATOM 0 HA LEU B 125 2.190 12.585 8.409 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.929 14.995 7.843 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.551 14.333 6.344 1.00 0.00 H new ATOM 0 HG LEU B 125 0.807 13.488 6.751 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.253 15.699 6.524 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.609 15.536 8.072 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.332 16.477 6.746 1.00 0.00 H new ATOM 0 HD21 LEU B 125 0.542 14.500 4.521 1.00 0.00 H new ATOM 0 HD22 LEU B 125 2.158 15.231 4.665 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.984 13.461 4.607 1.00 0.00 H new ATOM 1626 N LEU B 126 4.499 11.766 6.197 1.00 0.00 N ATOM 1627 CA LEU B 126 4.858 10.774 5.189 1.00 0.00 C ATOM 1628 C LEU B 126 4.924 9.377 5.800 1.00 0.00 C ATOM 1629 O LEU B 126 4.974 9.207 7.018 1.00 0.00 O ATOM 1630 CB LEU B 126 6.203 11.128 4.553 1.00 0.00 C ATOM 1631 CG LEU B 126 6.139 11.824 3.193 1.00 0.00 C ATOM 1632 CD1 LEU B 126 4.838 12.598 3.050 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.334 12.749 3.010 1.00 0.00 C ATOM 0 H LEU B 126 5.235 12.440 6.406 1.00 0.00 H new ATOM 0 HA LEU B 126 4.086 10.779 4.419 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.750 11.771 5.242 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.783 10.212 4.443 1.00 0.00 H new ATOM 0 HG LEU B 126 6.172 11.062 2.415 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.810 13.087 2.076 1.00 0.00 H new ATOM 0 HD12 LEU B 126 3.995 11.912 3.136 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.774 13.351 3.836 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.272 13.236 2.037 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.332 13.505 3.795 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.255 12.169 3.067 1.00 0.00 H new ATOM 1645 N PRO B 127 4.925 8.353 4.934 1.00 0.00 N ATOM 1646 CA PRO B 127 4.987 6.953 5.365 1.00 0.00 C ATOM 1647 C PRO B 127 6.346 6.587 5.953 1.00 0.00 C ATOM 1648 O PRO B 127 7.052 5.731 5.420 1.00 0.00 O ATOM 1649 CB PRO B 127 4.736 6.173 4.072 1.00 0.00 C ATOM 1650 CG PRO B 127 5.173 7.091 2.984 1.00 0.00 C ATOM 1651 CD PRO B 127 4.868 8.482 3.469 1.00 0.00 C ATOM 0 HA PRO B 127 4.268 6.737 6.156 1.00 0.00 H new ATOM 0 HB2 PRO B 127 5.302 5.242 4.055 1.00 0.00 H new ATOM 0 HB3 PRO B 127 3.684 5.908 3.968 1.00 0.00 H new ATOM 0 HG2 PRO B 127 6.237 6.974 2.778 1.00 0.00 H new ATOM 0 HG3 PRO B 127 4.643 6.876 2.056 1.00 0.00 H new ATOM 0 HD2 PRO B 127 5.596 9.205 3.101 1.00 0.00 H new ATOM 0 HD3 PRO B 127 3.887 8.819 3.133 1.00 0.00 H new ATOM 1659 N GLU B 128 6.705 7.240 7.053 1.00 0.00 N ATOM 1660 CA GLU B 128 7.981 6.983 7.712 1.00 0.00 C ATOM 1661 C GLU B 128 8.024 5.566 8.276 1.00 0.00 C ATOM 1662 O GLU B 128 9.040 4.879 8.179 1.00 0.00 O ATOM 1663 CB GLU B 128 8.215 7.998 8.832 1.00 0.00 C ATOM 1664 CG GLU B 128 6.946 8.400 9.565 1.00 0.00 C ATOM 1665 CD GLU B 128 7.206 8.806 11.002 1.00 0.00 C ATOM 1666 OE1 GLU B 128 8.375 8.730 11.438 1.00 0.00 O ATOM 1667 OE2 GLU B 128 6.243 9.201 11.692 1.00 0.00 O ATOM 0 H GLU B 128 6.131 7.951 7.507 1.00 0.00 H new ATOM 0 HA GLU B 128 8.773 7.085 6.970 1.00 0.00 H new ATOM 0 HB2 GLU B 128 8.921 7.579 9.549 1.00 0.00 H new ATOM 0 HB3 GLU B 128 8.679 8.890 8.411 1.00 0.00 H new ATOM 0 HG2 GLU B 128 6.473 9.228 9.037 1.00 0.00 H new ATOM 0 HG3 GLU B 128 6.242 7.568 9.548 1.00 0.00 H new ATOM 1674 N ASN B 129 6.914 5.136 8.868 1.00 0.00 N ATOM 1675 CA ASN B 129 6.826 3.802 9.449 1.00 0.00 C ATOM 1676 C ASN B 129 8.140 3.412 10.120 1.00 0.00 C ATOM 1677 O ASN B 129 8.148 2.700 11.124 1.00 0.00 O ATOM 1678 CB ASN B 129 6.467 2.776 8.372 1.00 0.00 C ATOM 1679 CG ASN B 129 5.207 3.150 7.615 1.00 0.00 C ATOM 1680 OD1 ASN B 129 5.377 3.791 6.465 1.00 0.00 O flip ATOM 1681 ND2 ASN B 129 4.095 2.865 8.059 1.00 0.00 N flip ATOM 0 H ASN B 129 6.064 5.692 8.958 1.00 0.00 H new ATOM 0 HA ASN B 129 6.042 3.814 10.206 1.00 0.00 H new ATOM 0 HB2 ASN B 129 7.296 2.685 7.670 1.00 0.00 H new ATOM 0 HB3 ASN B 129 6.333 1.799 8.835 1.00 0.00 H new ATOM 0 HD21 ASN B 129 4.012 2.371 8.948 1.00 0.00 H new ATOM 0 HD22 ASN B 129 3.257 3.122 7.538 1.00 0.00 H new TER 1688 ASN B 129