USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1166 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.094! (180deg=-0.564!) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 0.765 (180deg=0.752) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -104:sc= 0.221 USER MOD Single : A 13 GLN : amide:sc= -2.02! C(o=-2!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.763 (180deg=0.548) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= -0.558 (180deg=-0.687) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 100:sc= -0.162 USER MOD Single : A 34 TYR OH : rot 164:sc= 0.792 USER MOD Single : A 36 SER OG : rot -82:sc= -0.52 USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0485 K(o=-0.048,f=-2.5!) USER MOD Single : A 45 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= -0.519 (180deg=-0.554) USER MOD Single : A 55 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3!) USER MOD Single : A 56 GLN : amide:sc= -2.18! C(o=-2.2!,f=-5.6!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.134 USER MOD Single : A 61 HIS : no HE2:sc= -0.911 K(o=-0.91,f=-1.5) USER MOD Single : A 63 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 143:sc= 0.169! (180deg=-0.436!) USER MOD Single : B 3 LYS NZ :NH3+ -176:sc= 0.77 (180deg=0.756) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0.165 USER MOD Single : B 13 GLN : amide:sc= -2.01! C(o=-2!,f=-12!) USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= 0.763 (180deg=0.557) USER MOD Single : B 15 LYS NZ :NH3+ 175:sc= -0.621 (180deg=-0.693) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : B 34 TYR OH : rot 165:sc= 0.774 USER MOD Single : B 36 SER OG : rot -85:sc= -0.531 USER MOD Single : B 37 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : B 42 ASN : amide:sc= -0.0183 K(o=-0.018,f=-2.4!) USER MOD Single : B 45 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.12) USER MOD Single : B 53 LYS NZ :NH3+ -174:sc= -0.478 (180deg=-0.527) USER MOD Single : B 55 GLN : amide:sc= -2.97! C(o=-3!,f=-3!) USER MOD Single : B 56 GLN : amide:sc= -2.2! C(o=-2.2!,f=-5.8!) USER MOD Single : B 60 SER OG : rot 180:sc= -0.145 USER MOD Single : B 61 HIS : no HE2:sc= -0.943 K(o=-0.94,f=-1.6!) USER MOD Single : B 63 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.6!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.995 -16.133 4.299 1.00 4.10 N ATOM 2 CA MET A 1 -4.731 -16.225 3.571 1.00 3.64 C ATOM 3 C MET A 1 -4.025 -14.950 3.686 1.00 3.20 C ATOM 4 O MET A 1 -3.638 -14.546 4.804 1.00 3.61 O ATOM 5 CB MET A 1 -5.009 -16.519 2.093 1.00 4.44 C ATOM 6 CG MET A 1 -5.624 -17.911 1.939 1.00 5.32 C ATOM 7 SD MET A 1 -7.277 -17.914 2.650 1.00 5.98 S ATOM 8 CE MET A 1 -7.537 -19.639 2.209 1.00 6.70 C ATOM 0 H1 MET A 1 -6.695 -16.765 3.860 1.00 4.10 H new ATOM 0 H2 MET A 1 -5.847 -16.415 5.289 1.00 4.10 H new ATOM 0 H3 MET A 1 -6.344 -15.154 4.266 1.00 4.10 H new ATOM 0 HA MET A 1 -4.123 -17.027 3.989 1.00 3.64 H new ATOM 0 HB2 MET A 1 -5.685 -15.767 1.686 1.00 4.44 H new ATOM 0 HB3 MET A 1 -4.083 -16.457 1.522 1.00 4.44 H new ATOM 0 HG2 MET A 1 -5.669 -18.187 0.885 1.00 5.32 H new ATOM 0 HG3 MET A 1 -5.000 -18.654 2.437 1.00 5.32 H new ATOM 0 HE1 MET A 1 -8.529 -19.953 2.536 1.00 6.70 H new ATOM 0 HE2 MET A 1 -7.458 -19.754 1.128 1.00 6.70 H new ATOM 0 HE3 MET A 1 -6.782 -20.257 2.696 1.00 6.70 H new ATOM 20 N GLU A 2 -3.819 -14.211 2.587 1.00 2.52 N ATOM 21 CA GLU A 2 -3.141 -12.975 2.632 1.00 2.21 C ATOM 22 C GLU A 2 -3.267 -12.418 1.290 1.00 1.84 C ATOM 23 O GLU A 2 -3.912 -11.365 1.092 1.00 1.98 O ATOM 24 CB GLU A 2 -1.663 -13.180 2.981 1.00 2.47 C ATOM 25 CG GLU A 2 -1.017 -11.827 3.282 1.00 2.84 C ATOM 26 CD GLU A 2 -1.553 -11.312 4.540 1.00 3.40 C ATOM 27 OE1 GLU A 2 -2.778 -11.092 4.655 1.00 3.74 O ATOM 28 OE2 GLU A 2 -0.788 -11.105 5.506 1.00 3.98 O ATOM 0 H GLU A 2 -4.131 -14.483 1.655 1.00 2.52 H new ATOM 0 HA GLU A 2 -3.558 -12.315 3.393 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -1.570 -13.839 3.844 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -1.147 -13.665 2.153 1.00 2.47 H new ATOM 0 HG2 GLU A 2 0.066 -11.934 3.350 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -1.218 -11.126 2.472 1.00 2.84 H new ATOM 35 N LYS A 3 -2.695 -13.067 0.267 1.00 1.84 N ATOM 36 CA LYS A 3 -2.912 -12.632 -1.053 1.00 1.95 C ATOM 37 C LYS A 3 -4.303 -12.954 -1.364 1.00 1.67 C ATOM 38 O LYS A 3 -4.742 -14.092 -1.093 1.00 1.92 O ATOM 39 CB LYS A 3 -1.933 -13.350 -1.985 1.00 2.60 C ATOM 40 CG LYS A 3 -2.193 -14.858 -2.002 1.00 3.26 C ATOM 41 CD LYS A 3 -3.356 -15.173 -2.945 1.00 3.92 C ATOM 42 CE LYS A 3 -2.977 -14.752 -4.366 1.00 4.14 C ATOM 43 NZ LYS A 3 -4.072 -15.067 -5.282 1.00 4.84 N ATOM 0 H LYS A 3 -2.090 -13.883 0.361 1.00 1.84 H new ATOM 0 HA LYS A 3 -2.743 -11.562 -1.178 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -2.028 -12.950 -2.995 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -0.910 -13.158 -1.661 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -1.297 -15.387 -2.326 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -2.424 -15.208 -0.996 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -3.585 -16.238 -2.917 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -4.254 -14.646 -2.624 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -2.763 -13.684 -4.394 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -2.069 -15.268 -4.678 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -3.785 -14.842 -6.256 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -4.302 -16.079 -5.213 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -4.909 -14.504 -5.029 1.00 4.84 H new ATOM 57 N ARG A 4 -5.107 -12.039 -1.922 1.00 1.50 N ATOM 58 CA ARG A 4 -6.470 -12.326 -2.150 1.00 1.29 C ATOM 59 C ARG A 4 -6.653 -13.416 -3.105 1.00 1.50 C ATOM 60 O ARG A 4 -6.180 -13.292 -4.256 1.00 1.81 O ATOM 61 CB ARG A 4 -7.123 -11.081 -2.749 1.00 1.45 C ATOM 62 CG ARG A 4 -8.558 -11.424 -3.137 1.00 1.70 C ATOM 63 CD ARG A 4 -9.395 -11.684 -1.885 1.00 2.73 C ATOM 64 NE ARG A 4 -10.525 -12.452 -2.238 1.00 3.33 N ATOM 65 CZ ARG A 4 -11.385 -12.870 -1.298 1.00 4.45 C ATOM 66 NH1 ARG A 4 -11.189 -12.546 -0.013 1.00 5.09 N ATOM 67 NH2 ARG A 4 -12.447 -13.607 -1.647 1.00 5.20 N ATOM 0 H ARG A 4 -4.809 -11.107 -2.212 1.00 1.50 H new ATOM 0 HA ARG A 4 -6.914 -12.618 -1.199 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -7.111 -10.263 -2.028 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -6.565 -10.744 -3.623 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -8.993 -10.606 -3.711 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -8.568 -12.304 -3.780 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -8.801 -12.210 -1.138 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -9.706 -10.740 -1.438 1.00 2.73 H new ATOM 0 HE ARG A 4 -10.689 -12.691 -3.216 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -10.384 -11.980 0.253 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -11.845 -12.866 0.699 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -12.600 -13.849 -2.626 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -13.103 -13.926 -0.934 1.00 5.20 H new ATOM 81 N PRO A 5 -7.329 -14.527 -2.761 1.00 1.56 N ATOM 82 CA PRO A 5 -7.577 -15.588 -3.664 1.00 1.84 C ATOM 83 C PRO A 5 -8.152 -15.179 -4.914 1.00 1.57 C ATOM 84 O PRO A 5 -7.635 -15.587 -5.942 1.00 1.86 O ATOM 85 CB PRO A 5 -8.548 -16.485 -2.897 1.00 2.15 C ATOM 86 CG PRO A 5 -8.147 -16.246 -1.445 1.00 2.06 C ATOM 87 CD PRO A 5 -7.822 -14.754 -1.438 1.00 1.65 C ATOM 0 HA PRO A 5 -6.645 -16.073 -3.955 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -9.586 -16.209 -3.081 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -8.442 -17.532 -3.180 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -8.955 -16.489 -0.755 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -7.287 -16.851 -1.156 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -8.704 -14.150 -1.227 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -7.077 -14.507 -0.682 1.00 1.65 H new ATOM 95 N ARG A 6 -9.199 -14.391 -5.006 1.00 1.20 N ATOM 96 CA ARG A 6 -9.617 -14.034 -6.308 1.00 1.13 C ATOM 97 C ARG A 6 -9.692 -12.581 -6.474 1.00 1.07 C ATOM 98 O ARG A 6 -8.699 -11.988 -6.946 1.00 1.44 O ATOM 99 CB ARG A 6 -11.031 -14.557 -6.594 1.00 1.21 C ATOM 100 CG ARG A 6 -11.067 -16.060 -6.892 1.00 1.55 C ATOM 101 CD ARG A 6 -11.095 -16.869 -5.592 1.00 1.87 C ATOM 102 NE ARG A 6 -11.271 -18.237 -5.885 1.00 2.69 N ATOM 103 CZ ARG A 6 -12.048 -18.994 -5.099 1.00 3.24 C ATOM 104 NH1 ARG A 6 -12.677 -18.448 -4.049 1.00 3.20 N ATOM 105 NH2 ARG A 6 -12.196 -20.300 -5.360 1.00 4.22 N ATOM 0 H ARG A 6 -9.741 -14.011 -4.230 1.00 1.20 H new ATOM 0 HA ARG A 6 -8.880 -14.468 -6.984 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -11.670 -14.347 -5.736 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -11.448 -14.014 -7.442 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -11.946 -16.296 -7.492 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -10.194 -16.340 -7.482 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -10.166 -16.722 -5.041 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -11.904 -16.518 -4.952 1.00 1.87 H new ATOM 0 HE ARG A 6 -10.807 -18.650 -6.694 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -12.565 -17.454 -3.847 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -13.268 -19.026 -3.452 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -11.717 -20.718 -6.157 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -12.788 -20.876 -4.761 1.00 4.22 H new ATOM 119 N THR A 7 -10.780 -11.869 -6.128 1.00 0.98 N ATOM 120 CA THR A 7 -10.785 -10.467 -6.335 1.00 0.88 C ATOM 121 C THR A 7 -11.512 -9.717 -5.308 1.00 0.88 C ATOM 122 O THR A 7 -12.272 -8.803 -5.694 1.00 0.89 O ATOM 123 CB THR A 7 -11.442 -10.126 -7.678 1.00 0.87 C ATOM 124 OG1 THR A 7 -12.755 -10.665 -7.711 1.00 0.95 O ATOM 125 CG2 THR A 7 -10.633 -10.677 -8.855 1.00 0.90 C ATOM 0 H THR A 7 -11.630 -12.256 -5.717 1.00 0.98 H new ATOM 0 HA THR A 7 -9.735 -10.176 -6.302 1.00 0.88 H new ATOM 0 HB THR A 7 -11.478 -9.041 -7.772 1.00 0.87 H new ATOM 0 HG1 THR A 7 -13.177 -10.446 -8.568 1.00 0.95 H new ATOM 0 HG21 THR A 7 -11.128 -10.417 -9.790 1.00 0.90 H new ATOM 0 HG22 THR A 7 -9.632 -10.246 -8.842 1.00 0.90 H new ATOM 0 HG23 THR A 7 -10.562 -11.762 -8.772 1.00 0.90 H new ATOM 133 N GLU A 8 -11.431 -9.956 -3.992 1.00 0.91 N ATOM 134 CA GLU A 8 -12.177 -9.142 -3.109 1.00 0.98 C ATOM 135 C GLU A 8 -11.342 -8.579 -2.048 1.00 0.96 C ATOM 136 O GLU A 8 -11.637 -8.849 -0.864 1.00 1.30 O ATOM 137 CB GLU A 8 -13.294 -9.950 -2.445 1.00 1.20 C ATOM 138 CG GLU A 8 -14.332 -10.384 -3.483 1.00 1.29 C ATOM 139 CD GLU A 8 -15.057 -9.219 -3.984 1.00 1.75 C ATOM 140 OE1 GLU A 8 -14.866 -8.090 -3.481 1.00 2.27 O ATOM 141 OE2 GLU A 8 -15.892 -9.356 -4.904 1.00 2.22 O ATOM 0 H GLU A 8 -10.869 -10.687 -3.556 1.00 0.91 H new ATOM 0 HA GLU A 8 -12.592 -8.333 -3.711 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -12.873 -10.827 -1.954 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -13.774 -9.351 -1.671 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -13.840 -10.898 -4.308 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -15.030 -11.092 -3.037 1.00 1.29 H new ATOM 148 N PHE A 9 -10.310 -7.775 -2.354 1.00 0.75 N ATOM 149 CA PHE A 9 -9.532 -7.079 -1.391 1.00 0.68 C ATOM 150 C PHE A 9 -9.484 -7.656 -0.046 1.00 0.81 C ATOM 151 O PHE A 9 -10.276 -7.238 0.826 1.00 0.93 O ATOM 152 CB PHE A 9 -9.976 -5.613 -1.324 1.00 0.55 C ATOM 153 CG PHE A 9 -11.407 -5.515 -1.050 1.00 0.57 C ATOM 154 CD1 PHE A 9 -11.893 -5.692 0.239 1.00 0.87 C ATOM 155 CD2 PHE A 9 -12.290 -5.270 -2.096 1.00 0.82 C ATOM 156 CE1 PHE A 9 -13.259 -5.630 0.483 1.00 0.92 C ATOM 157 CE2 PHE A 9 -13.656 -5.196 -1.851 1.00 0.89 C ATOM 158 CZ PHE A 9 -14.141 -5.378 -0.562 1.00 0.72 C ATOM 0 H PHE A 9 -10.009 -7.606 -3.314 1.00 0.75 H new ATOM 0 HA PHE A 9 -8.508 -7.171 -1.753 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -9.416 -5.094 -0.546 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -9.747 -5.116 -2.267 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -11.208 -5.878 1.053 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -11.914 -5.137 -3.100 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -13.636 -5.778 1.484 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -14.340 -4.997 -2.663 1.00 0.89 H new ATOM 0 HZ PHE A 9 -15.203 -5.324 -0.372 1.00 0.72 H new ATOM 168 N SER A 10 -8.579 -8.591 0.287 1.00 0.92 N ATOM 169 CA SER A 10 -8.528 -9.073 1.616 1.00 1.07 C ATOM 170 C SER A 10 -7.696 -8.179 2.417 1.00 0.95 C ATOM 171 O SER A 10 -7.098 -7.237 1.859 1.00 0.79 O ATOM 172 CB SER A 10 -7.921 -10.477 1.689 1.00 1.27 C ATOM 173 OG SER A 10 -8.768 -11.419 1.052 1.00 1.65 O ATOM 0 H SER A 10 -7.899 -9.001 -0.353 1.00 0.92 H new ATOM 0 HA SER A 10 -9.550 -9.113 1.993 1.00 1.07 H new ATOM 0 HB2 SER A 10 -6.941 -10.481 1.213 1.00 1.27 H new ATOM 0 HB3 SER A 10 -7.771 -10.761 2.731 1.00 1.27 H new ATOM 0 HG SER A 10 -9.242 -11.944 1.730 1.00 1.65 H new ATOM 179 N GLU A 11 -7.595 -8.384 3.739 1.00 1.08 N ATOM 180 CA GLU A 11 -6.858 -7.552 4.620 1.00 1.08 C ATOM 181 C GLU A 11 -5.606 -7.016 4.083 1.00 0.96 C ATOM 182 O GLU A 11 -5.346 -5.804 4.252 1.00 0.94 O ATOM 183 CB GLU A 11 -6.526 -8.402 5.846 1.00 1.26 C ATOM 184 CG GLU A 11 -7.803 -8.651 6.652 1.00 1.21 C ATOM 185 CD GLU A 11 -8.752 -9.431 5.863 1.00 1.81 C ATOM 186 OE1 GLU A 11 -8.410 -10.533 5.384 1.00 2.60 O ATOM 187 OE2 GLU A 11 -9.914 -9.003 5.683 1.00 2.29 O ATOM 0 H GLU A 11 -8.049 -9.166 4.211 1.00 1.08 H new ATOM 0 HA GLU A 11 -7.478 -6.680 4.829 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -6.087 -9.351 5.537 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -5.785 -7.895 6.464 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -7.563 -9.181 7.574 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -8.252 -7.700 6.939 1.00 1.21 H new ATOM 194 N GLU A 12 -4.727 -7.791 3.434 1.00 0.93 N ATOM 195 CA GLU A 12 -3.530 -7.241 2.922 1.00 0.82 C ATOM 196 C GLU A 12 -3.804 -6.302 1.835 1.00 0.71 C ATOM 197 O GLU A 12 -3.126 -5.256 1.732 1.00 0.70 O ATOM 198 CB GLU A 12 -2.653 -8.383 2.411 1.00 0.85 C ATOM 199 CG GLU A 12 -1.353 -7.835 1.818 1.00 1.17 C ATOM 200 CD GLU A 12 -0.607 -7.094 2.831 1.00 2.13 C ATOM 201 OE1 GLU A 12 -0.347 -7.623 3.933 1.00 2.46 O ATOM 202 OE2 GLU A 12 -0.231 -5.925 2.592 1.00 2.73 O ATOM 0 H GLU A 12 -4.848 -8.790 3.267 1.00 0.93 H new ATOM 0 HA GLU A 12 -3.020 -6.693 3.715 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -2.427 -9.069 3.227 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -3.192 -8.954 1.655 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -0.745 -8.655 1.436 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.577 -7.184 0.973 1.00 1.17 H new ATOM 209 N GLN A 13 -4.783 -6.539 0.951 1.00 0.67 N ATOM 210 CA GLN A 13 -5.032 -5.609 -0.080 1.00 0.57 C ATOM 211 C GLN A 13 -5.801 -4.481 0.447 1.00 0.52 C ATOM 212 O GLN A 13 -5.815 -3.400 -0.179 1.00 0.47 O ATOM 213 CB GLN A 13 -5.847 -6.267 -1.193 1.00 0.62 C ATOM 214 CG GLN A 13 -5.055 -7.382 -1.879 1.00 0.82 C ATOM 215 CD GLN A 13 -4.945 -8.538 -0.995 1.00 1.48 C ATOM 216 OE1 GLN A 13 -5.967 -9.008 -0.453 1.00 2.34 O ATOM 217 NE2 GLN A 13 -3.752 -9.100 -0.763 1.00 2.04 N ATOM 0 H GLN A 13 -5.388 -7.360 0.954 1.00 0.67 H new ATOM 0 HA GLN A 13 -4.076 -5.263 -0.473 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -6.769 -6.675 -0.779 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -6.134 -5.516 -1.929 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -5.548 -7.670 -2.807 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -4.061 -7.022 -2.145 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -2.915 -8.719 -1.204 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -3.681 -9.909 -0.146 1.00 2.04 H new ATOM 226 N LYS A 14 -6.499 -4.606 1.587 1.00 0.57 N ATOM 227 CA LYS A 14 -7.196 -3.511 2.140 1.00 0.57 C ATOM 228 C LYS A 14 -6.210 -2.543 2.610 1.00 0.60 C ATOM 229 O LYS A 14 -6.353 -1.325 2.369 1.00 0.60 O ATOM 230 CB LYS A 14 -8.022 -3.977 3.344 1.00 0.65 C ATOM 231 CG LYS A 14 -9.203 -4.848 2.906 1.00 0.67 C ATOM 232 CD LYS A 14 -9.952 -5.331 4.152 1.00 1.04 C ATOM 233 CE LYS A 14 -11.131 -6.223 3.757 1.00 1.36 C ATOM 234 NZ LYS A 14 -11.737 -6.796 4.959 1.00 1.71 N ATOM 0 H LYS A 14 -6.575 -5.472 2.121 1.00 0.57 H new ATOM 0 HA LYS A 14 -7.856 -3.074 1.391 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -7.386 -4.540 4.028 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -8.391 -3.110 3.892 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -9.872 -4.279 2.261 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.848 -5.700 2.325 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -9.272 -5.883 4.801 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -10.312 -4.474 4.722 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -11.871 -5.642 3.206 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.792 -7.019 3.094 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -12.692 -7.141 4.735 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -11.154 -7.587 5.298 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -11.796 -6.068 5.699 1.00 1.71 H new ATOM 248 N LYS A 15 -5.144 -2.988 3.291 1.00 0.68 N ATOM 249 CA LYS A 15 -4.142 -2.102 3.738 1.00 0.73 C ATOM 250 C LYS A 15 -3.425 -1.541 2.595 1.00 0.66 C ATOM 251 O LYS A 15 -3.085 -0.340 2.612 1.00 0.70 O ATOM 252 CB LYS A 15 -3.164 -2.851 4.643 1.00 0.82 C ATOM 253 CG LYS A 15 -2.108 -1.869 5.153 1.00 0.97 C ATOM 254 CD LYS A 15 -1.165 -2.594 6.113 1.00 1.51 C ATOM 255 CE LYS A 15 -0.644 -3.846 5.409 1.00 1.07 C ATOM 256 NZ LYS A 15 -0.061 -3.465 4.124 1.00 1.94 N ATOM 0 H LYS A 15 -4.983 -3.967 3.529 1.00 0.68 H new ATOM 0 HA LYS A 15 -4.606 -1.290 4.298 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -3.696 -3.301 5.481 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -2.689 -3.663 4.093 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -1.546 -1.455 4.316 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -2.588 -1.032 5.660 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -0.337 -1.944 6.397 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -1.688 -2.863 7.031 1.00 1.51 H new ATOM 0 HE2 LYS A 15 0.103 -4.342 6.028 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -1.456 -4.557 5.257 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 0.356 -4.303 3.670 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -0.802 -3.071 3.510 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 0.678 -2.750 4.277 1.00 1.94 H new ATOM 270 N ALA A 16 -3.137 -2.302 1.529 1.00 0.58 N ATOM 271 CA ALA A 16 -2.476 -1.751 0.409 1.00 0.53 C ATOM 272 C ALA A 16 -3.224 -0.605 -0.110 1.00 0.50 C ATOM 273 O ALA A 16 -2.622 0.445 -0.423 1.00 0.60 O ATOM 274 CB ALA A 16 -2.394 -2.821 -0.682 1.00 0.46 C ATOM 0 H ALA A 16 -3.363 -3.293 1.449 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.480 -1.421 0.704 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.886 -2.412 -1.555 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.838 -3.680 -0.308 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -3.400 -3.134 -0.961 1.00 0.46 H new ATOM 280 N LEU A 17 -4.557 -0.671 -0.246 1.00 0.44 N ATOM 281 CA LEU A 17 -5.276 0.439 -0.740 1.00 0.46 C ATOM 282 C LEU A 17 -5.452 1.465 0.289 1.00 0.57 C ATOM 283 O LEU A 17 -5.769 2.622 -0.062 1.00 0.71 O ATOM 284 CB LEU A 17 -6.640 -0.033 -1.235 1.00 0.42 C ATOM 285 CG LEU A 17 -6.550 -0.475 -2.696 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.351 -1.402 -2.910 1.00 0.39 C ATOM 287 CD2 LEU A 17 -7.839 -1.211 -3.061 1.00 0.38 C ATOM 0 H LEU A 17 -5.125 -1.486 -0.015 1.00 0.44 H new ATOM 0 HA LEU A 17 -4.709 0.882 -1.558 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.992 -0.860 -0.619 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.369 0.771 -1.135 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.419 0.402 -3.330 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.307 -1.704 -3.956 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.433 -0.877 -2.645 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.458 -2.286 -2.282 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -7.792 -1.534 -4.101 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -7.956 -2.082 -2.416 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.690 -0.543 -2.927 1.00 0.38 H new ATOM 299 N ASP A 18 -5.279 1.191 1.591 1.00 0.59 N ATOM 300 CA ASP A 18 -5.330 2.217 2.565 1.00 0.70 C ATOM 301 C ASP A 18 -4.260 3.179 2.322 1.00 0.73 C ATOM 302 O ASP A 18 -4.433 4.394 2.561 1.00 0.82 O ATOM 303 CB ASP A 18 -5.218 1.613 3.968 1.00 0.76 C ATOM 304 CG ASP A 18 -4.916 2.644 4.957 1.00 0.97 C ATOM 305 OD1 ASP A 18 -5.536 3.729 4.992 1.00 1.24 O ATOM 306 OD2 ASP A 18 -3.965 2.455 5.746 1.00 1.76 O ATOM 0 H ASP A 18 -5.104 0.258 1.963 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.285 2.738 2.495 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -6.152 1.115 4.229 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.437 0.853 3.980 1.00 0.76 H new ATOM 311 N LEU A 19 -3.082 2.766 1.840 1.00 0.68 N ATOM 312 CA LEU A 19 -2.072 3.714 1.585 1.00 0.70 C ATOM 313 C LEU A 19 -2.335 4.448 0.341 1.00 0.71 C ATOM 314 O LEU A 19 -1.574 5.383 0.014 1.00 0.85 O ATOM 315 CB LEU A 19 -0.724 2.997 1.496 1.00 0.60 C ATOM 316 CG LEU A 19 -0.168 2.737 2.898 1.00 0.67 C ATOM 317 CD1 LEU A 19 -1.119 1.839 3.691 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.191 2.047 2.779 1.00 0.69 C ATOM 0 H LEU A 19 -2.839 1.797 1.633 1.00 0.68 H new ATOM 0 HA LEU A 19 -2.055 4.437 2.401 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.841 2.054 0.963 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -0.020 3.601 0.924 1.00 0.60 H new ATOM 0 HG LEU A 19 -0.063 3.689 3.419 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.709 1.664 4.686 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -2.090 2.326 3.779 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -1.236 0.887 3.174 1.00 1.15 H new ATOM 0 HD21 LEU A 19 1.592 1.859 3.775 1.00 0.69 H new ATOM 0 HD22 LEU A 19 1.074 1.101 2.251 1.00 0.69 H new ATOM 0 HD23 LEU A 19 1.878 2.688 2.226 1.00 0.69 H new ATOM 330 N ALA A 20 -3.380 4.168 -0.455 1.00 0.62 N ATOM 331 CA ALA A 20 -3.600 4.909 -1.639 1.00 0.70 C ATOM 332 C ALA A 20 -4.325 6.148 -1.360 1.00 0.84 C ATOM 333 O ALA A 20 -4.652 6.888 -2.314 1.00 1.21 O ATOM 334 CB ALA A 20 -4.424 4.078 -2.627 1.00 0.72 C ATOM 0 H ALA A 20 -4.064 3.433 -0.274 1.00 0.62 H new ATOM 0 HA ALA A 20 -2.626 5.152 -2.064 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -4.590 4.654 -3.537 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -3.885 3.162 -2.871 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -5.384 3.825 -2.177 1.00 0.72 H new ATOM 340 N PHE A 21 -4.653 6.495 -0.105 1.00 0.88 N ATOM 341 CA PHE A 21 -5.339 7.704 0.132 1.00 1.18 C ATOM 342 C PHE A 21 -4.422 8.832 -0.006 1.00 1.61 C ATOM 343 O PHE A 21 -3.193 8.628 -0.098 1.00 2.22 O ATOM 344 CB PHE A 21 -5.958 7.681 1.530 1.00 1.29 C ATOM 345 CG PHE A 21 -7.116 6.791 1.520 1.00 1.16 C ATOM 346 CD1 PHE A 21 -6.957 5.443 1.223 1.00 1.63 C ATOM 347 CD2 PHE A 21 -8.387 7.299 1.765 1.00 1.41 C ATOM 348 CE1 PHE A 21 -8.061 4.600 1.182 1.00 1.73 C ATOM 349 CE2 PHE A 21 -9.491 6.455 1.729 1.00 1.60 C ATOM 350 CZ PHE A 21 -9.330 5.108 1.432 1.00 1.50 C ATOM 0 H PHE A 21 -4.444 5.943 0.727 1.00 0.88 H new ATOM 0 HA PHE A 21 -6.138 7.816 -0.601 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -5.226 7.338 2.261 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -6.258 8.686 1.826 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -5.972 5.049 1.023 1.00 1.63 H new ATOM 0 HD2 PHE A 21 -8.516 8.349 1.983 1.00 1.41 H new ATOM 0 HE1 PHE A 21 -7.933 3.552 0.956 1.00 1.73 H new ATOM 0 HE2 PHE A 21 -10.476 6.848 1.932 1.00 1.60 H new ATOM 0 HZ PHE A 21 -10.190 4.456 1.395 1.00 1.50 H new ATOM 360 N TYR A 22 -4.954 10.064 -0.073 1.00 1.98 N ATOM 361 CA TYR A 22 -4.223 11.249 -0.335 1.00 2.50 C ATOM 362 C TYR A 22 -4.114 11.479 -1.772 1.00 2.37 C ATOM 363 O TYR A 22 -3.742 12.608 -2.157 1.00 2.86 O ATOM 364 CB TYR A 22 -2.796 11.291 0.219 1.00 3.05 C ATOM 365 CG TYR A 22 -2.212 12.543 -0.248 1.00 4.37 C ATOM 366 CD1 TYR A 22 -2.695 13.761 0.216 1.00 4.86 C ATOM 367 CD2 TYR A 22 -1.206 12.512 -1.207 1.00 4.57 C ATOM 368 CE1 TYR A 22 -2.167 14.949 -0.275 1.00 5.31 C ATOM 369 CE2 TYR A 22 -0.679 13.700 -1.699 1.00 5.05 C ATOM 370 CZ TYR A 22 -1.160 14.918 -1.234 1.00 5.70 C ATOM 371 OH TYR A 22 -0.647 16.071 -1.714 1.00 5.94 O ATOM 0 H TYR A 22 -5.950 10.235 0.064 1.00 1.98 H new ATOM 0 HA TYR A 22 -4.801 12.016 0.181 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -2.800 11.246 1.308 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -2.217 10.437 -0.133 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -3.480 13.784 0.957 1.00 4.86 H new ATOM 0 HD2 TYR A 22 -0.834 11.565 -1.569 1.00 4.57 H new ATOM 0 HE1 TYR A 22 -2.538 15.896 0.088 1.00 5.31 H new ATOM 0 HE2 TYR A 22 0.104 13.677 -2.442 1.00 5.05 H new ATOM 0 HH TYR A 22 0.048 15.870 -2.375 1.00 5.94 H new ATOM 381 N PHE A 23 -4.385 10.506 -2.655 1.00 2.53 N ATOM 382 CA PHE A 23 -4.294 10.726 -4.046 1.00 3.15 C ATOM 383 C PHE A 23 -2.962 11.168 -4.449 1.00 3.06 C ATOM 384 O PHE A 23 -2.834 12.219 -5.114 1.00 3.59 O ATOM 385 CB PHE A 23 -5.323 11.767 -4.492 1.00 3.86 C ATOM 386 CG PHE A 23 -6.668 11.290 -4.186 1.00 4.35 C ATOM 387 CD1 PHE A 23 -7.176 10.181 -4.852 1.00 5.12 C ATOM 388 CD2 PHE A 23 -7.448 11.960 -3.251 1.00 4.54 C ATOM 389 CE1 PHE A 23 -8.469 9.744 -4.586 1.00 5.84 C ATOM 390 CE2 PHE A 23 -8.739 11.519 -2.982 1.00 5.32 C ATOM 391 CZ PHE A 23 -9.250 10.414 -3.653 1.00 6.77 C ATOM 0 H PHE A 23 -4.669 9.562 -2.394 1.00 2.53 H new ATOM 0 HA PHE A 23 -4.497 9.770 -4.529 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -5.139 12.715 -3.986 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -5.227 11.953 -5.562 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -6.567 9.659 -5.575 1.00 5.12 H new ATOM 0 HD2 PHE A 23 -7.052 12.822 -2.734 1.00 4.54 H new ATOM 0 HE1 PHE A 23 -8.866 8.884 -5.105 1.00 5.84 H new ATOM 0 HE2 PHE A 23 -9.345 12.035 -2.252 1.00 5.32 H new ATOM 0 HZ PHE A 23 -10.255 10.076 -3.449 1.00 6.77 H new ATOM 401 N ASP A 24 -1.878 10.429 -4.172 1.00 2.69 N ATOM 402 CA ASP A 24 -0.613 10.814 -4.672 1.00 2.83 C ATOM 403 C ASP A 24 -0.551 10.390 -6.065 1.00 2.45 C ATOM 404 O ASP A 24 0.226 9.467 -6.391 1.00 2.75 O ATOM 405 CB ASP A 24 0.447 10.034 -3.892 1.00 3.31 C ATOM 406 CG ASP A 24 1.720 10.074 -4.605 1.00 3.96 C ATOM 407 OD1 ASP A 24 2.224 11.166 -4.946 1.00 4.25 O ATOM 408 OD2 ASP A 24 2.269 8.997 -4.928 1.00 4.50 O ATOM 0 H ASP A 24 -1.882 9.578 -3.610 1.00 2.69 H new ATOM 0 HA ASP A 24 -0.453 11.888 -4.580 1.00 2.83 H new ATOM 0 HB2 ASP A 24 0.565 10.461 -2.896 1.00 3.31 H new ATOM 0 HB3 ASP A 24 0.127 9.001 -3.760 1.00 3.31 H new ATOM 413 N ARG A 25 -1.336 10.988 -6.978 1.00 2.47 N ATOM 414 CA ARG A 25 -1.435 10.536 -8.313 1.00 2.98 C ATOM 415 C ARG A 25 -1.977 9.172 -8.349 1.00 2.31 C ATOM 416 O ARG A 25 -2.000 8.553 -9.434 1.00 2.72 O ATOM 417 CB ARG A 25 -0.059 10.565 -8.986 1.00 4.09 C ATOM 418 CG ARG A 25 -0.212 10.304 -10.485 1.00 4.69 C ATOM 419 CD ARG A 25 -0.718 11.568 -11.183 1.00 5.33 C ATOM 420 NE ARG A 25 -2.073 11.791 -10.862 1.00 5.75 N ATOM 421 CZ ARG A 25 -2.493 13.025 -10.551 1.00 6.57 C ATOM 422 NH1 ARG A 25 -1.624 14.045 -10.531 1.00 7.02 N ATOM 423 NH2 ARG A 25 -3.782 13.246 -10.261 1.00 7.21 N ATOM 0 H ARG A 25 -1.912 11.805 -6.774 1.00 2.47 H new ATOM 0 HA ARG A 25 -2.109 11.200 -8.854 1.00 2.98 H new ATOM 0 HB2 ARG A 25 0.416 11.532 -8.822 1.00 4.09 H new ATOM 0 HB3 ARG A 25 0.590 9.811 -8.540 1.00 4.09 H new ATOM 0 HG2 ARG A 25 0.745 10.001 -10.910 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -0.909 9.482 -10.651 1.00 4.69 H new ATOM 0 HD2 ARG A 25 -0.118 12.426 -10.878 1.00 5.33 H new ATOM 0 HD3 ARG A 25 -0.604 11.467 -12.262 1.00 5.33 H new ATOM 0 HE ARG A 25 -2.733 11.013 -10.867 1.00 5.75 H new ATOM 0 HH11 ARG A 25 -0.642 13.883 -10.753 1.00 7.02 H new ATOM 0 HH12 ARG A 25 -1.945 14.984 -10.294 1.00 7.02 H new ATOM 0 HH21 ARG A 25 -4.448 12.474 -10.276 1.00 7.21 H new ATOM 0 HH22 ARG A 25 -4.098 14.187 -10.025 1.00 7.21 H new ATOM 437 N ARG A 26 -2.448 8.576 -7.239 1.00 1.76 N ATOM 438 CA ARG A 26 -2.907 7.245 -7.263 1.00 1.34 C ATOM 439 C ARG A 26 -4.342 7.255 -7.533 1.00 1.20 C ATOM 440 O ARG A 26 -4.947 8.347 -7.586 1.00 2.05 O ATOM 441 CB ARG A 26 -2.711 6.624 -5.875 1.00 2.02 C ATOM 442 CG ARG A 26 -1.274 6.819 -5.375 1.00 2.50 C ATOM 443 CD ARG A 26 -0.229 6.131 -6.257 1.00 2.91 C ATOM 444 NE ARG A 26 1.064 6.455 -5.779 1.00 3.64 N ATOM 445 CZ ARG A 26 2.024 5.518 -5.758 1.00 4.57 C ATOM 446 NH1 ARG A 26 1.742 4.278 -6.178 1.00 5.01 N ATOM 447 NH2 ARG A 26 3.257 5.816 -5.319 1.00 5.37 N ATOM 0 H ARG A 26 -2.506 9.029 -6.327 1.00 1.76 H new ATOM 0 HA ARG A 26 -2.363 6.682 -8.022 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -3.408 7.077 -5.170 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -2.943 5.560 -5.914 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -1.054 7.886 -5.328 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -1.194 6.432 -4.359 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -0.376 5.051 -6.242 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -0.339 6.453 -7.292 1.00 2.91 H new ATOM 0 HE ARG A 26 1.265 7.400 -5.451 1.00 3.64 H new ATOM 0 HH11 ARG A 26 0.804 4.053 -6.510 1.00 5.01 H new ATOM 0 HH12 ARG A 26 2.465 3.559 -6.166 1.00 5.01 H new ATOM 0 HH21 ARG A 26 3.470 6.761 -4.998 1.00 5.37 H new ATOM 0 HH22 ARG A 26 3.981 5.098 -5.306 1.00 5.37 H new ATOM 461 N LEU A 27 -5.008 6.100 -7.685 1.00 0.90 N ATOM 462 CA LEU A 27 -6.417 6.069 -7.823 1.00 0.73 C ATOM 463 C LEU A 27 -6.882 6.726 -9.051 1.00 0.78 C ATOM 464 O LEU A 27 -8.100 6.973 -9.190 1.00 1.03 O ATOM 465 CB LEU A 27 -7.010 6.731 -6.572 1.00 0.72 C ATOM 466 CG LEU A 27 -8.462 6.308 -6.328 1.00 0.80 C ATOM 467 CD1 LEU A 27 -9.392 6.910 -7.381 1.00 1.23 C ATOM 468 CD2 LEU A 27 -8.572 4.782 -6.353 1.00 0.86 C ATOM 0 H LEU A 27 -4.561 5.184 -7.712 1.00 0.90 H new ATOM 0 HA LEU A 27 -6.752 5.035 -7.911 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -6.406 6.469 -5.703 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -6.962 7.815 -6.679 1.00 0.72 H new ATOM 0 HG LEU A 27 -8.765 6.679 -5.349 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -10.417 6.594 -7.185 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -9.333 7.998 -7.339 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -9.090 6.568 -8.371 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -9.607 4.489 -6.179 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -8.248 4.410 -7.325 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -7.939 4.359 -5.573 1.00 0.86 H new ATOM 480 N THR A 28 -6.042 7.027 -10.054 1.00 0.82 N ATOM 481 CA THR A 28 -6.538 7.620 -11.237 1.00 0.94 C ATOM 482 C THR A 28 -6.530 6.582 -12.264 1.00 0.88 C ATOM 483 O THR A 28 -5.985 5.496 -11.982 1.00 0.81 O ATOM 484 CB THR A 28 -5.645 8.795 -11.648 1.00 1.13 C ATOM 485 OG1 THR A 28 -4.350 8.313 -11.966 1.00 1.31 O ATOM 486 CG2 THR A 28 -5.538 9.805 -10.505 1.00 1.26 C ATOM 0 H THR A 28 -5.036 6.860 -10.041 1.00 0.82 H new ATOM 0 HA THR A 28 -7.546 8.010 -11.093 1.00 0.94 H new ATOM 0 HB THR A 28 -6.084 9.285 -12.517 1.00 1.13 H new ATOM 0 HG1 THR A 28 -4.258 8.240 -12.939 1.00 1.31 H new ATOM 0 HG21 THR A 28 -4.901 10.635 -10.811 1.00 1.26 H new ATOM 0 HG22 THR A 28 -6.531 10.182 -10.258 1.00 1.26 H new ATOM 0 HG23 THR A 28 -5.106 9.320 -9.630 1.00 1.26 H new ATOM 494 N PRO A 29 -7.109 6.739 -13.465 1.00 0.93 N ATOM 495 CA PRO A 29 -7.135 5.713 -14.444 1.00 0.90 C ATOM 496 C PRO A 29 -5.863 5.130 -14.752 1.00 0.83 C ATOM 497 O PRO A 29 -5.792 3.932 -14.977 1.00 0.82 O ATOM 498 CB PRO A 29 -7.694 6.419 -15.680 1.00 1.01 C ATOM 499 CG PRO A 29 -8.579 7.507 -15.078 1.00 1.11 C ATOM 500 CD PRO A 29 -7.807 7.930 -13.829 1.00 1.07 C ATOM 0 HA PRO A 29 -7.722 4.868 -14.083 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -6.901 6.839 -16.299 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -8.264 5.738 -16.312 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -8.719 8.340 -15.767 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -9.571 7.129 -14.830 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -7.122 8.752 -14.037 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -8.475 8.265 -13.036 1.00 1.07 H new ATOM 508 N GLU A 30 -4.771 5.855 -14.787 1.00 0.83 N ATOM 509 CA GLU A 30 -3.550 5.246 -15.142 1.00 0.81 C ATOM 510 C GLU A 30 -2.849 4.757 -13.956 1.00 0.79 C ATOM 511 O GLU A 30 -1.811 4.074 -14.094 1.00 0.85 O ATOM 512 CB GLU A 30 -2.683 6.249 -15.903 1.00 0.89 C ATOM 513 CG GLU A 30 -3.415 6.702 -17.169 1.00 1.46 C ATOM 514 CD GLU A 30 -3.677 5.549 -18.023 1.00 2.09 C ATOM 515 OE1 GLU A 30 -2.728 4.845 -18.433 1.00 2.62 O ATOM 516 OE2 GLU A 30 -4.852 5.260 -18.338 1.00 2.72 O ATOM 0 H GLU A 30 -4.720 6.851 -14.574 1.00 0.83 H new ATOM 0 HA GLU A 30 -3.755 4.390 -15.784 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -2.463 7.109 -15.270 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -1.728 5.794 -16.166 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -4.352 7.191 -16.904 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -2.814 7.436 -17.706 1.00 1.46 H new ATOM 523 N TRP A 31 -3.309 5.028 -12.726 1.00 0.78 N ATOM 524 CA TRP A 31 -2.684 4.461 -11.597 1.00 0.79 C ATOM 525 C TRP A 31 -3.583 3.457 -11.034 1.00 0.70 C ATOM 526 O TRP A 31 -3.234 2.757 -10.060 1.00 0.71 O ATOM 527 CB TRP A 31 -2.296 5.515 -10.560 1.00 0.93 C ATOM 528 CG TRP A 31 -0.962 6.022 -10.873 1.00 1.38 C ATOM 529 CD1 TRP A 31 0.222 5.634 -10.252 1.00 2.29 C ATOM 530 CD2 TRP A 31 -0.594 6.915 -11.869 1.00 1.67 C ATOM 531 NE1 TRP A 31 1.254 6.267 -10.837 1.00 2.57 N ATOM 532 CE2 TRP A 31 0.778 7.044 -11.821 1.00 2.12 C ATOM 533 CE3 TRP A 31 -1.355 7.606 -12.799 1.00 2.37 C ATOM 534 CZ2 TRP A 31 1.458 7.869 -12.704 1.00 2.59 C ATOM 535 CZ3 TRP A 31 -0.685 8.443 -13.688 1.00 3.11 C ATOM 536 CH2 TRP A 31 0.705 8.571 -13.643 1.00 3.01 C ATOM 0 H TRP A 31 -4.105 5.633 -12.523 1.00 0.78 H new ATOM 0 HA TRP A 31 -1.749 3.991 -11.902 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -3.019 6.331 -10.564 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -2.309 5.082 -9.560 1.00 0.93 H new ATOM 0 HD1 TRP A 31 0.299 4.936 -9.431 1.00 2.29 H new ATOM 0 HE1 TRP A 31 2.235 6.172 -10.576 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -2.429 7.499 -12.833 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 2.533 7.964 -12.665 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 -1.248 9.001 -14.422 1.00 3.11 H new ATOM 0 HH2 TRP A 31 1.203 9.223 -14.345 1.00 3.01 H new ATOM 547 N ARG A 32 -4.786 3.280 -11.593 1.00 0.69 N ATOM 548 CA ARG A 32 -5.646 2.256 -11.158 1.00 0.62 C ATOM 549 C ARG A 32 -5.200 1.031 -11.812 1.00 0.61 C ATOM 550 O ARG A 32 -5.088 -0.036 -11.169 1.00 0.60 O ATOM 551 CB ARG A 32 -7.059 2.639 -11.589 1.00 0.66 C ATOM 552 CG ARG A 32 -8.097 1.718 -10.955 1.00 0.89 C ATOM 553 CD ARG A 32 -9.460 2.323 -11.281 1.00 0.80 C ATOM 554 NE ARG A 32 -9.432 3.670 -10.860 1.00 0.83 N ATOM 555 CZ ARG A 32 -9.854 4.643 -11.678 1.00 0.85 C ATOM 556 NH1 ARG A 32 -10.356 4.336 -12.882 1.00 0.82 N ATOM 557 NH2 ARG A 32 -9.765 5.926 -11.300 1.00 0.97 N ATOM 0 H ARG A 32 -5.157 3.854 -12.350 1.00 0.69 H new ATOM 0 HA ARG A 32 -5.637 2.111 -10.078 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.262 3.671 -11.304 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -7.138 2.587 -12.675 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.015 0.707 -11.353 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -7.950 1.649 -9.877 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.663 2.258 -12.350 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.254 1.777 -10.772 1.00 0.80 H new ATOM 0 HE ARG A 32 -9.089 3.904 -9.928 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -10.417 3.361 -13.176 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -10.677 5.077 -13.505 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -9.375 6.163 -10.388 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -10.087 6.665 -11.925 1.00 0.97 H new ATOM 571 N ARG A 33 -4.876 1.084 -13.113 1.00 0.66 N ATOM 572 CA ARG A 33 -4.349 -0.050 -13.766 1.00 0.69 C ATOM 573 C ARG A 33 -3.005 -0.334 -13.259 1.00 0.72 C ATOM 574 O ARG A 33 -2.517 -1.474 -13.415 1.00 0.73 O ATOM 575 CB ARG A 33 -4.316 0.197 -15.275 1.00 0.80 C ATOM 576 CG ARG A 33 -3.384 1.369 -15.590 1.00 1.16 C ATOM 577 CD ARG A 33 -3.412 1.635 -17.096 1.00 1.14 C ATOM 578 NE ARG A 33 -4.722 1.978 -17.488 1.00 1.66 N ATOM 579 CZ ARG A 33 -5.033 2.051 -18.790 1.00 2.23 C ATOM 580 NH1 ARG A 33 -4.101 1.784 -19.715 1.00 2.26 N ATOM 581 NH2 ARG A 33 -6.273 2.390 -19.167 1.00 3.10 N ATOM 0 H ARG A 33 -4.981 1.910 -13.702 1.00 0.66 H new ATOM 0 HA ARG A 33 -4.983 -0.914 -13.567 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -3.974 -0.700 -15.792 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -5.321 0.412 -15.639 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -3.700 2.258 -15.044 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -2.369 1.140 -15.267 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -2.723 2.442 -17.347 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -3.078 0.751 -17.639 1.00 1.14 H new ATOM 0 HE ARG A 33 -5.432 2.170 -16.782 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -3.157 1.526 -19.428 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -4.336 1.839 -20.706 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -6.983 2.593 -18.463 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -6.508 2.445 -20.158 1.00 3.10 H new ATOM 595 N TYR A 34 -2.308 0.631 -12.638 1.00 0.74 N ATOM 596 CA TYR A 34 -1.042 0.404 -12.053 1.00 0.77 C ATOM 597 C TYR A 34 -1.182 -0.463 -10.889 1.00 0.65 C ATOM 598 O TYR A 34 -0.483 -1.494 -10.793 1.00 0.68 O ATOM 599 CB TYR A 34 -0.491 1.752 -11.587 1.00 0.84 C ATOM 600 CG TYR A 34 0.710 1.610 -10.772 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.920 1.225 -11.336 1.00 1.24 C ATOM 602 CD2 TYR A 34 0.630 1.881 -9.411 1.00 1.37 C ATOM 603 CE1 TYR A 34 3.053 1.137 -10.537 1.00 1.18 C ATOM 604 CE2 TYR A 34 1.762 1.784 -8.612 1.00 1.65 C ATOM 605 CZ TYR A 34 2.977 1.419 -9.177 1.00 1.19 C ATOM 606 OH TYR A 34 4.081 1.346 -8.404 1.00 1.43 O ATOM 0 H TYR A 34 -2.640 1.591 -12.544 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.378 -0.067 -12.778 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.266 2.370 -12.456 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.256 2.276 -11.014 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.979 0.995 -12.390 1.00 1.24 H new ATOM 0 HD2 TYR A 34 -0.315 2.168 -8.974 1.00 1.37 H new ATOM 0 HE1 TYR A 34 3.998 0.848 -10.974 1.00 1.18 H new ATOM 0 HE2 TYR A 34 1.697 1.992 -7.554 1.00 1.65 H new ATOM 0 HH TYR A 34 3.918 1.811 -7.557 1.00 1.43 H new ATOM 616 N LEU A 35 -2.057 -0.140 -9.925 1.00 0.56 N ATOM 617 CA LEU A 35 -2.201 -0.953 -8.782 1.00 0.49 C ATOM 618 C LEU A 35 -2.697 -2.275 -9.150 1.00 0.45 C ATOM 619 O LEU A 35 -2.131 -3.301 -8.716 1.00 0.46 O ATOM 620 CB LEU A 35 -3.222 -0.302 -7.847 1.00 0.58 C ATOM 621 CG LEU A 35 -2.637 0.995 -7.286 1.00 0.66 C ATOM 622 CD1 LEU A 35 -3.701 1.716 -6.456 1.00 1.03 C ATOM 623 CD2 LEU A 35 -1.424 0.667 -6.415 1.00 1.32 C ATOM 0 H LEU A 35 -2.659 0.683 -9.945 1.00 0.56 H new ATOM 0 HA LEU A 35 -1.230 -1.056 -8.298 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -4.146 -0.094 -8.387 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -3.474 -0.983 -7.034 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.325 1.644 -8.104 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.285 2.641 -6.056 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -4.559 1.947 -7.087 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -4.017 1.074 -5.634 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -1.004 1.589 -6.013 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -1.730 0.020 -5.593 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -0.671 0.158 -7.017 1.00 1.32 H new ATOM 635 N SER A 36 -3.742 -2.391 -9.982 1.00 0.47 N ATOM 636 CA SER A 36 -4.256 -3.662 -10.317 1.00 0.48 C ATOM 637 C SER A 36 -3.352 -4.430 -11.175 1.00 0.59 C ATOM 638 O SER A 36 -3.668 -5.603 -11.472 1.00 0.66 O ATOM 639 CB SER A 36 -5.603 -3.484 -11.020 1.00 0.52 C ATOM 640 OG SER A 36 -5.421 -2.739 -12.212 1.00 1.35 O ATOM 0 H SER A 36 -4.224 -1.604 -10.417 1.00 0.47 H new ATOM 0 HA SER A 36 -4.372 -4.226 -9.391 1.00 0.48 H new ATOM 0 HB2 SER A 36 -6.036 -4.457 -11.250 1.00 0.52 H new ATOM 0 HB3 SER A 36 -6.304 -2.971 -10.361 1.00 0.52 H new ATOM 0 HG SER A 36 -5.393 -1.783 -11.999 1.00 1.35 H new ATOM 646 N GLN A 37 -2.215 -3.906 -11.663 1.00 0.67 N ATOM 647 CA GLN A 37 -1.343 -4.680 -12.459 1.00 0.80 C ATOM 648 C GLN A 37 -0.746 -5.759 -11.675 1.00 0.75 C ATOM 649 O GLN A 37 -0.726 -6.922 -12.133 1.00 0.86 O ATOM 650 CB GLN A 37 -0.215 -3.786 -12.978 1.00 0.92 C ATOM 651 CG GLN A 37 0.704 -4.600 -13.890 1.00 1.09 C ATOM 652 CD GLN A 37 1.783 -3.746 -14.380 1.00 2.00 C ATOM 653 OE1 GLN A 37 1.847 -2.462 -14.001 1.00 2.72 O flip ATOM 654 NE2 GLN A 37 2.648 -4.214 -15.151 1.00 2.66 N flip ATOM 0 H GLN A 37 -1.908 -2.947 -11.502 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.915 -5.107 -13.283 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -0.630 -2.939 -13.525 1.00 0.92 H new ATOM 0 HB3 GLN A 37 0.353 -3.378 -12.142 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.117 -5.449 -13.345 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.137 -5.005 -14.728 1.00 1.09 H new ATOM 0 HE21 GLN A 37 2.599 -5.191 -15.439 1.00 2.66 H new ATOM 0 HE22 GLN A 37 3.403 -3.619 -15.492 1.00 2.66 H new ATOM 663 N ARG A 38 -0.207 -5.506 -10.473 1.00 0.65 N ATOM 664 CA ARG A 38 0.402 -6.553 -9.749 1.00 0.68 C ATOM 665 C ARG A 38 -0.261 -6.759 -8.464 1.00 0.59 C ATOM 666 O ARG A 38 0.191 -7.623 -7.682 1.00 0.65 O ATOM 667 CB ARG A 38 1.872 -6.206 -9.502 1.00 0.74 C ATOM 668 CG ARG A 38 2.586 -6.036 -10.844 1.00 1.20 C ATOM 669 CD ARG A 38 4.092 -5.908 -10.611 1.00 1.55 C ATOM 670 NE ARG A 38 4.343 -4.836 -9.731 1.00 1.76 N ATOM 671 CZ ARG A 38 5.222 -4.996 -8.733 1.00 2.41 C ATOM 672 NH1 ARG A 38 5.879 -6.156 -8.611 1.00 2.88 N ATOM 673 NH2 ARG A 38 5.448 -4.006 -7.859 1.00 3.06 N ATOM 0 H ARG A 38 -0.196 -4.594 -10.017 1.00 0.65 H new ATOM 0 HA ARG A 38 0.319 -7.469 -10.334 1.00 0.68 H new ATOM 0 HB2 ARG A 38 1.947 -5.288 -8.919 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.350 -6.994 -8.920 1.00 0.74 H new ATOM 0 HG2 ARG A 38 2.379 -6.890 -11.488 1.00 1.20 H new ATOM 0 HG3 ARG A 38 2.211 -5.151 -11.358 1.00 1.20 H new ATOM 0 HD2 ARG A 38 4.486 -6.835 -10.194 1.00 1.55 H new ATOM 0 HD3 ARG A 38 4.604 -5.742 -11.559 1.00 1.55 H new ATOM 0 HE ARG A 38 3.860 -3.946 -9.853 1.00 1.76 H new ATOM 0 HH11 ARG A 38 5.709 -6.911 -9.276 1.00 2.88 H new ATOM 0 HH12 ARG A 38 6.550 -6.285 -7.854 1.00 2.88 H new ATOM 0 HH21 ARG A 38 4.949 -3.121 -7.950 1.00 3.06 H new ATOM 0 HH22 ARG A 38 6.119 -4.137 -7.102 1.00 3.06 H new ATOM 687 N LEU A 39 -1.341 -6.040 -8.122 1.00 0.55 N ATOM 688 CA LEU A 39 -2.002 -6.271 -6.895 1.00 0.47 C ATOM 689 C LEU A 39 -2.710 -7.546 -6.949 1.00 0.51 C ATOM 690 O LEU A 39 -2.546 -8.403 -6.053 1.00 0.53 O ATOM 691 CB LEU A 39 -3.025 -5.160 -6.660 1.00 0.36 C ATOM 692 CG LEU A 39 -3.768 -5.392 -5.345 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.776 -5.362 -4.182 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.789 -4.272 -5.159 1.00 0.24 C ATOM 0 H LEU A 39 -1.750 -5.303 -8.697 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.267 -6.289 -6.090 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.523 -4.193 -6.636 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.735 -5.130 -7.486 1.00 0.36 H new ATOM 0 HG LEU A 39 -4.267 -6.361 -5.368 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -3.308 -5.528 -3.245 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.031 -6.145 -4.319 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.281 -4.391 -4.151 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -5.328 -4.423 -4.224 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -4.274 -3.312 -5.130 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.494 -4.281 -5.990 1.00 0.24 H new ATOM 706 N GLY A 40 -3.549 -7.784 -7.966 1.00 0.56 N ATOM 707 CA GLY A 40 -4.262 -8.997 -8.035 1.00 0.64 C ATOM 708 C GLY A 40 -5.692 -8.708 -8.014 1.00 0.60 C ATOM 709 O GLY A 40 -6.516 -9.643 -8.102 1.00 0.69 O ATOM 0 H GLY A 40 -3.728 -7.135 -8.733 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -4.000 -9.537 -8.945 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.995 -9.639 -7.196 1.00 0.64 H new ATOM 713 N LEU A 41 -6.118 -7.441 -7.911 1.00 0.54 N ATOM 714 CA LEU A 41 -7.497 -7.154 -7.915 1.00 0.54 C ATOM 715 C LEU A 41 -7.837 -6.516 -9.182 1.00 0.50 C ATOM 716 O LEU A 41 -6.938 -6.279 -10.017 1.00 0.59 O ATOM 717 CB LEU A 41 -7.875 -6.213 -6.772 1.00 0.56 C ATOM 718 CG LEU A 41 -7.470 -6.806 -5.423 1.00 0.59 C ATOM 719 CD1 LEU A 41 -7.858 -5.815 -4.326 1.00 0.60 C ATOM 720 CD2 LEU A 41 -8.195 -8.132 -5.192 1.00 1.25 C ATOM 0 H LEU A 41 -5.507 -6.628 -7.826 1.00 0.54 H new ATOM 0 HA LEU A 41 -8.045 -8.087 -7.786 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -7.386 -5.249 -6.912 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.949 -6.030 -6.786 1.00 0.56 H new ATOM 0 HG LEU A 41 -6.396 -6.989 -5.408 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -7.577 -6.220 -3.354 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -7.339 -4.870 -4.489 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -8.935 -5.647 -4.352 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -7.899 -8.545 -4.228 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -9.272 -7.964 -5.199 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -7.932 -8.833 -5.984 1.00 1.25 H new ATOM 732 N ASN A 42 -9.110 -6.205 -9.455 1.00 0.51 N ATOM 733 CA ASN A 42 -9.437 -5.572 -10.671 1.00 0.53 C ATOM 734 C ASN A 42 -9.559 -4.138 -10.430 1.00 0.43 C ATOM 735 O ASN A 42 -9.656 -3.719 -9.258 1.00 0.38 O ATOM 736 CB ASN A 42 -10.751 -6.131 -11.221 1.00 0.66 C ATOM 737 CG ASN A 42 -10.559 -7.521 -11.625 1.00 0.81 C ATOM 738 OD1 ASN A 42 -9.405 -7.992 -11.720 1.00 1.11 O ATOM 739 ND2 ASN A 42 -11.619 -8.285 -11.925 1.00 1.45 N ATOM 0 H ASN A 42 -9.900 -6.392 -8.837 1.00 0.51 H new ATOM 0 HA ASN A 42 -8.655 -5.757 -11.407 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.531 -6.066 -10.463 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -11.083 -5.537 -12.072 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -11.483 -9.249 -12.230 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -12.561 -7.903 -11.848 1.00 1.45 H new ATOM 746 N GLU A 43 -9.553 -3.284 -11.464 1.00 0.47 N ATOM 747 CA GLU A 43 -9.637 -1.885 -11.273 1.00 0.45 C ATOM 748 C GLU A 43 -10.858 -1.538 -10.549 1.00 0.40 C ATOM 749 O GLU A 43 -10.841 -0.622 -9.697 1.00 0.38 O ATOM 750 CB GLU A 43 -9.670 -1.219 -12.649 1.00 0.57 C ATOM 751 CG GLU A 43 -8.312 -1.390 -13.334 1.00 0.68 C ATOM 752 CD GLU A 43 -8.350 -0.755 -14.647 1.00 0.88 C ATOM 753 OE1 GLU A 43 -8.616 0.462 -14.746 1.00 1.78 O ATOM 754 OE2 GLU A 43 -8.113 -1.428 -15.674 1.00 1.31 O ATOM 0 H GLU A 43 -9.489 -3.573 -12.440 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.779 -1.545 -10.693 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.456 -1.663 -13.260 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -9.906 -0.160 -12.546 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -7.526 -0.944 -12.725 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -8.074 -2.449 -13.436 1.00 0.68 H new ATOM 761 N GLU A 44 -11.983 -2.224 -10.792 1.00 0.46 N ATOM 762 CA GLU A 44 -13.177 -1.964 -10.089 1.00 0.46 C ATOM 763 C GLU A 44 -12.987 -2.196 -8.659 1.00 0.40 C ATOM 764 O GLU A 44 -13.532 -1.442 -7.825 1.00 0.43 O ATOM 765 CB GLU A 44 -14.253 -2.920 -10.607 1.00 0.60 C ATOM 766 CG GLU A 44 -15.578 -2.634 -9.901 1.00 1.05 C ATOM 767 CD GLU A 44 -16.603 -3.542 -10.407 1.00 1.48 C ATOM 768 OE1 GLU A 44 -16.888 -3.546 -11.625 1.00 1.78 O ATOM 769 OE2 GLU A 44 -17.197 -4.315 -9.625 1.00 2.31 O ATOM 0 H GLU A 44 -12.057 -2.967 -11.487 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.471 -0.925 -10.241 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -14.371 -2.802 -11.684 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -13.951 -3.953 -10.431 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -15.464 -2.761 -8.824 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -15.877 -1.600 -10.070 1.00 1.05 H new ATOM 776 N GLN A 45 -12.219 -3.211 -8.237 1.00 0.40 N ATOM 777 CA GLN A 45 -12.060 -3.472 -6.860 1.00 0.41 C ATOM 778 C GLN A 45 -11.162 -2.497 -6.241 1.00 0.34 C ATOM 779 O GLN A 45 -11.062 -2.463 -4.995 1.00 0.41 O ATOM 780 CB GLN A 45 -11.464 -4.872 -6.713 1.00 0.51 C ATOM 781 CG GLN A 45 -12.404 -5.889 -7.362 1.00 0.60 C ATOM 782 CD GLN A 45 -13.635 -5.990 -6.584 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.730 -5.660 -7.090 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.584 -6.452 -5.328 1.00 0.97 N ATOM 0 H GLN A 45 -11.712 -3.845 -8.854 1.00 0.40 H new ATOM 0 HA GLN A 45 -13.028 -3.402 -6.364 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.482 -4.914 -7.185 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -11.322 -5.111 -5.659 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -12.632 -5.587 -8.384 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.918 -6.863 -7.419 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -12.689 -6.720 -4.919 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.440 -6.536 -4.780 1.00 0.97 H new ATOM 793 N ILE A 46 -10.452 -1.643 -6.994 1.00 0.28 N ATOM 794 CA ILE A 46 -9.635 -0.666 -6.389 1.00 0.30 C ATOM 795 C ILE A 46 -10.515 0.423 -5.982 1.00 0.39 C ATOM 796 O ILE A 46 -10.457 0.893 -4.824 1.00 0.52 O ATOM 797 CB ILE A 46 -8.624 -0.116 -7.400 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.755 -1.242 -7.965 1.00 0.36 C ATOM 799 CG2 ILE A 46 -7.729 0.915 -6.709 1.00 0.45 C ATOM 800 CD1 ILE A 46 -6.988 -1.936 -6.840 1.00 0.38 C ATOM 0 H ILE A 46 -10.449 -1.636 -8.014 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.091 -1.095 -5.547 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.169 0.350 -8.221 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.380 -1.965 -8.488 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.055 -0.838 -8.696 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.008 1.309 -7.425 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -8.342 1.730 -6.326 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.198 0.441 -5.883 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.374 -2.735 -7.257 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.348 -1.212 -6.336 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.694 -2.357 -6.124 1.00 0.38 H new ATOM 812 N GLU A 47 -11.396 0.887 -6.880 1.00 0.38 N ATOM 813 CA GLU A 47 -12.285 1.937 -6.571 1.00 0.47 C ATOM 814 C GLU A 47 -13.200 1.549 -5.503 1.00 0.51 C ATOM 815 O GLU A 47 -13.488 2.387 -4.623 1.00 0.61 O ATOM 816 CB GLU A 47 -13.132 2.230 -7.811 1.00 0.50 C ATOM 817 CG GLU A 47 -12.249 2.805 -8.918 1.00 0.52 C ATOM 818 CD GLU A 47 -13.070 3.064 -10.097 1.00 0.56 C ATOM 819 OE1 GLU A 47 -14.048 3.839 -10.018 1.00 1.11 O ATOM 820 OE2 GLU A 47 -12.796 2.516 -11.187 1.00 1.21 O ATOM 0 H GLU A 47 -11.486 0.524 -7.829 1.00 0.38 H new ATOM 0 HA GLU A 47 -11.703 2.803 -6.256 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -13.615 1.316 -8.157 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -13.925 2.935 -7.563 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -11.775 3.726 -8.580 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -11.449 2.106 -9.163 1.00 0.52 H new ATOM 827 N ARG A 48 -13.730 0.316 -5.490 1.00 0.47 N ATOM 828 CA ARG A 48 -14.645 -0.096 -4.495 1.00 0.55 C ATOM 829 C ARG A 48 -14.092 -0.048 -3.145 1.00 0.60 C ATOM 830 O ARG A 48 -14.676 0.649 -2.291 1.00 0.68 O ATOM 831 CB ARG A 48 -15.131 -1.515 -4.794 1.00 0.56 C ATOM 832 CG ARG A 48 -16.509 -1.440 -5.456 1.00 0.63 C ATOM 833 CD ARG A 48 -16.442 -0.610 -6.738 1.00 0.60 C ATOM 834 NE ARG A 48 -17.719 -0.574 -7.334 1.00 0.71 N ATOM 835 CZ ARG A 48 -17.915 0.133 -8.455 1.00 0.80 C ATOM 836 NH1 ARG A 48 -16.901 0.820 -9.000 1.00 0.80 N ATOM 837 NH2 ARG A 48 -19.125 0.156 -9.029 1.00 0.94 N ATOM 0 H ARG A 48 -13.516 -0.400 -6.184 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.475 0.610 -4.525 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.425 -2.024 -5.450 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -15.187 -2.096 -3.873 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.865 -2.445 -5.684 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.227 -0.997 -4.766 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -16.104 0.402 -6.513 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.717 -1.042 -7.428 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.494 -1.086 -6.912 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -15.980 0.804 -8.561 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -17.050 1.358 -9.853 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -19.897 -0.365 -8.613 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -19.274 0.694 -9.882 1.00 0.94 H new ATOM 851 N TRP A 49 -13.022 -0.766 -2.781 1.00 0.56 N ATOM 852 CA TRP A 49 -12.570 -0.712 -1.442 1.00 0.64 C ATOM 853 C TRP A 49 -12.223 0.653 -1.047 1.00 0.69 C ATOM 854 O TRP A 49 -12.543 1.074 0.088 1.00 0.81 O ATOM 855 CB TRP A 49 -11.335 -1.595 -1.282 1.00 0.75 C ATOM 856 CG TRP A 49 -10.886 -1.512 0.104 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.671 -1.014 0.563 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.599 -1.883 1.231 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.643 -1.098 1.905 1.00 1.29 N ATOM 860 CE2 TRP A 49 -10.803 -1.624 2.326 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.873 -2.413 1.361 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -11.240 -1.904 3.612 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -13.324 -2.693 2.649 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.516 -2.443 3.760 1.00 3.63 C ATOM 0 H TRP A 49 -12.483 -1.370 -3.401 1.00 0.56 H new ATOM 0 HA TRP A 49 -13.380 -1.065 -0.804 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.570 -2.627 -1.543 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.544 -1.267 -1.957 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.878 -0.623 -0.058 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -8.869 -0.810 2.503 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.493 -2.602 0.497 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -10.612 -1.711 4.470 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -14.311 -3.109 2.790 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -12.886 -2.671 4.749 1.00 3.63 H new ATOM 875 N PHE A 50 -11.546 1.428 -1.906 1.00 0.65 N ATOM 876 CA PHE A 50 -11.150 2.745 -1.585 1.00 0.72 C ATOM 877 C PHE A 50 -12.298 3.584 -1.230 1.00 0.78 C ATOM 878 O PHE A 50 -12.263 4.290 -0.198 1.00 0.89 O ATOM 879 CB PHE A 50 -10.475 3.330 -2.829 1.00 0.72 C ATOM 880 CG PHE A 50 -9.933 4.657 -2.551 1.00 0.86 C ATOM 881 CD1 PHE A 50 -10.752 5.779 -2.580 1.00 1.33 C ATOM 882 CD2 PHE A 50 -8.570 4.799 -2.314 1.00 1.66 C ATOM 883 CE1 PHE A 50 -10.213 7.039 -2.347 1.00 1.54 C ATOM 884 CE2 PHE A 50 -8.031 6.060 -2.090 1.00 2.06 C ATOM 885 CZ PHE A 50 -8.853 7.180 -2.100 1.00 1.68 C ATOM 0 H PHE A 50 -11.271 1.127 -2.841 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.479 2.721 -0.726 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -9.675 2.668 -3.159 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -11.196 3.390 -3.645 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -11.807 5.672 -2.784 1.00 1.33 H new ATOM 0 HD2 PHE A 50 -7.930 3.929 -2.304 1.00 1.66 H new ATOM 0 HE1 PHE A 50 -10.852 7.909 -2.358 1.00 1.54 H new ATOM 0 HE2 PHE A 50 -6.972 6.170 -1.908 1.00 2.06 H new ATOM 0 HZ PHE A 50 -8.435 8.159 -1.916 1.00 1.68 H new ATOM 895 N ARG A 51 -13.375 3.626 -2.029 1.00 0.74 N ATOM 896 CA ARG A 51 -14.462 4.477 -1.731 1.00 0.81 C ATOM 897 C ARG A 51 -15.309 3.928 -0.673 1.00 0.87 C ATOM 898 O ARG A 51 -15.972 4.723 0.026 1.00 0.99 O ATOM 899 CB ARG A 51 -15.276 4.786 -2.993 1.00 0.79 C ATOM 900 CG ARG A 51 -16.028 3.552 -3.498 1.00 0.78 C ATOM 901 CD ARG A 51 -17.414 3.496 -2.852 1.00 1.14 C ATOM 902 NE ARG A 51 -18.078 2.322 -3.261 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.346 2.385 -3.692 1.00 1.92 C ATOM 904 NH1 ARG A 51 -19.976 3.566 -3.752 1.00 2.21 N ATOM 905 NH2 ARG A 51 -19.984 1.266 -4.061 1.00 2.45 N ATOM 0 H ARG A 51 -13.486 3.070 -2.877 1.00 0.74 H new ATOM 0 HA ARG A 51 -14.051 5.414 -1.356 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -15.987 5.584 -2.781 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -14.610 5.152 -3.775 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -16.123 3.590 -4.583 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -15.467 2.649 -3.259 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -17.321 3.514 -1.766 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -17.995 4.373 -3.137 1.00 1.14 H new ATOM 0 HE ARG A 51 -17.594 1.425 -3.229 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -19.491 4.418 -3.470 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -20.941 3.613 -4.080 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -19.505 0.367 -4.014 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -20.949 1.313 -4.389 1.00 2.45 H new ATOM 919 N ARG A 52 -15.398 2.604 -0.470 1.00 0.83 N ATOM 920 CA ARG A 52 -16.256 2.057 0.514 1.00 0.98 C ATOM 921 C ARG A 52 -15.902 2.530 1.847 1.00 1.11 C ATOM 922 O ARG A 52 -16.808 2.866 2.642 1.00 1.27 O ATOM 923 CB ARG A 52 -16.156 0.529 0.502 1.00 1.02 C ATOM 924 CG ARG A 52 -17.021 -0.039 -0.625 1.00 1.24 C ATOM 925 CD ARG A 52 -18.498 0.129 -0.264 1.00 1.32 C ATOM 926 NE ARG A 52 -18.779 -0.613 0.903 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.853 -1.413 0.951 1.00 2.26 C ATOM 928 NH1 ARG A 52 -20.659 -1.523 -0.114 1.00 2.17 N ATOM 929 NH2 ARG A 52 -20.121 -2.107 2.066 1.00 3.08 N ATOM 0 H ARG A 52 -14.867 1.911 -0.997 1.00 0.83 H new ATOM 0 HA ARG A 52 -17.272 2.376 0.279 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -15.118 0.225 0.365 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -16.482 0.127 1.461 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.803 0.476 -1.561 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.790 -1.093 -0.780 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.728 1.182 -0.103 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -19.127 -0.213 -1.086 1.00 1.32 H new ATOM 0 HE ARG A 52 -18.163 -0.540 1.712 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -20.456 -0.997 -0.964 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -21.476 -2.133 -0.075 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.508 -2.026 2.877 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -20.938 -2.716 2.103 1.00 3.08 H new ATOM 943 N LYS A 53 -14.621 2.620 2.230 1.00 1.08 N ATOM 944 CA LYS A 53 -14.319 3.079 3.530 1.00 1.25 C ATOM 945 C LYS A 53 -14.756 4.461 3.732 1.00 1.35 C ATOM 946 O LYS A 53 -14.832 4.905 4.897 1.00 1.57 O ATOM 947 CB LYS A 53 -12.813 3.021 3.784 1.00 1.20 C ATOM 948 CG LYS A 53 -12.332 1.570 3.798 1.00 1.31 C ATOM 949 CD LYS A 53 -10.916 1.547 4.376 1.00 1.89 C ATOM 950 CE LYS A 53 -9.973 2.303 3.443 1.00 2.23 C ATOM 951 NZ LYS A 53 -8.625 2.281 4.004 1.00 2.62 N ATOM 0 H LYS A 53 -13.817 2.380 1.651 1.00 1.08 H new ATOM 0 HA LYS A 53 -14.850 2.426 4.223 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -12.285 3.579 3.010 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -12.579 3.498 4.736 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -12.999 0.953 4.400 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -12.339 1.157 2.789 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -10.908 2.003 5.366 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -10.578 0.518 4.497 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -9.976 1.845 2.454 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -10.312 3.332 3.319 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -7.992 2.852 3.408 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -8.643 2.675 4.966 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -8.279 1.301 4.038 1.00 2.62 H new ATOM 965 N GLU A 54 -15.045 5.273 2.704 1.00 1.24 N ATOM 966 CA GLU A 54 -15.416 6.607 2.961 1.00 1.34 C ATOM 967 C GLU A 54 -16.868 6.738 2.908 1.00 1.32 C ATOM 968 O GLU A 54 -17.458 7.454 3.743 1.00 1.39 O ATOM 969 CB GLU A 54 -14.764 7.532 1.931 1.00 1.34 C ATOM 970 CG GLU A 54 -13.276 7.193 1.854 1.00 1.18 C ATOM 971 CD GLU A 54 -12.511 8.336 1.366 1.00 1.29 C ATOM 972 OE1 GLU A 54 -12.436 9.370 2.065 1.00 1.87 O ATOM 973 OE2 GLU A 54 -11.919 8.275 0.266 1.00 1.61 O ATOM 0 H GLU A 54 -15.020 5.006 1.720 1.00 1.24 H new ATOM 0 HA GLU A 54 -15.075 6.889 3.957 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -15.233 7.404 0.956 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -14.901 8.575 2.217 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -12.913 6.900 2.839 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -13.126 6.340 1.193 1.00 1.18 H new ATOM 980 N GLN A 55 -17.585 6.077 1.989 1.00 1.23 N ATOM 981 CA GLN A 55 -18.987 6.231 1.942 1.00 1.27 C ATOM 982 C GLN A 55 -19.639 5.509 3.036 1.00 1.33 C ATOM 983 O GLN A 55 -20.882 5.577 3.150 1.00 1.41 O ATOM 984 CB GLN A 55 -19.511 5.759 0.581 1.00 1.22 C ATOM 985 CG GLN A 55 -19.306 4.253 0.405 1.00 1.34 C ATOM 986 CD GLN A 55 -20.310 3.523 1.173 1.00 2.13 C ATOM 987 OE1 GLN A 55 -19.959 2.696 2.042 1.00 2.59 O ATOM 988 NE2 GLN A 55 -21.612 3.738 0.940 1.00 2.88 N ATOM 0 H GLN A 55 -17.194 5.445 1.290 1.00 1.23 H new ATOM 0 HA GLN A 55 -19.226 7.287 2.066 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -20.571 5.998 0.493 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -18.996 6.295 -0.216 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -19.378 3.988 -0.650 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -18.306 3.972 0.736 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -21.899 4.413 0.231 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -22.316 3.227 1.472 1.00 2.88 H new ATOM 997 N GLN A 56 -18.933 4.773 3.909 1.00 1.34 N ATOM 998 CA GLN A 56 -19.583 4.090 4.957 1.00 1.42 C ATOM 999 C GLN A 56 -19.945 4.978 6.061 1.00 1.54 C ATOM 1000 O GLN A 56 -21.115 4.954 6.500 1.00 1.59 O ATOM 1001 CB GLN A 56 -18.618 3.036 5.505 1.00 1.47 C ATOM 1002 CG GLN A 56 -19.298 2.257 6.632 1.00 1.66 C ATOM 1003 CD GLN A 56 -20.364 1.427 6.079 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -21.297 1.953 5.435 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -20.338 0.099 6.258 1.00 2.10 N ATOM 0 H GLN A 56 -17.920 4.657 3.882 1.00 1.34 H new ATOM 0 HA GLN A 56 -20.498 3.653 4.556 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -18.316 2.355 4.709 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -17.712 3.515 5.875 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -18.568 1.633 7.148 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -19.706 2.947 7.370 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -19.576 -0.330 6.784 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -21.080 -0.483 5.869 1.00 2.10 H new ATOM 1014 N ILE A 57 -19.049 5.804 6.624 1.00 1.64 N ATOM 1015 CA ILE A 57 -19.444 6.587 7.732 1.00 1.81 C ATOM 1016 C ILE A 57 -19.663 7.988 7.374 1.00 1.89 C ATOM 1017 O ILE A 57 -20.233 8.734 8.200 1.00 2.07 O ATOM 1018 CB ILE A 57 -18.428 6.475 8.871 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -17.285 7.470 8.666 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -17.872 5.050 8.902 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -17.736 8.840 9.182 1.00 2.66 C ATOM 0 H ILE A 57 -18.083 5.923 6.319 1.00 1.64 H new ATOM 0 HA ILE A 57 -20.399 6.189 8.075 1.00 1.81 H new ATOM 0 HB ILE A 57 -18.920 6.704 9.816 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -16.394 7.139 9.199 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -17.020 7.531 7.610 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -17.147 4.960 9.711 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -18.687 4.345 9.065 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -17.386 4.828 7.952 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -16.932 9.563 9.044 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -18.617 9.166 8.628 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -17.980 8.767 10.242 1.00 2.66 H new ATOM 1033 N GLY A 58 -19.240 8.506 6.210 1.00 1.79 N ATOM 1034 CA GLY A 58 -19.428 9.888 5.975 1.00 1.90 C ATOM 1035 C GLY A 58 -18.160 10.552 5.669 1.00 1.88 C ATOM 1036 O GLY A 58 -17.884 11.656 6.188 1.00 1.99 O ATOM 0 H GLY A 58 -18.785 7.985 5.460 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -20.123 10.027 5.147 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -19.881 10.350 6.852 1.00 1.90 H new ATOM 1040 N TRP A 59 -17.306 9.936 4.841 1.00 1.76 N ATOM 1041 CA TRP A 59 -16.084 10.490 4.391 1.00 1.74 C ATOM 1042 C TRP A 59 -15.099 10.716 5.448 1.00 1.84 C ATOM 1043 O TRP A 59 -14.528 11.825 5.535 1.00 1.91 O ATOM 1044 CB TRP A 59 -16.355 11.801 3.648 1.00 1.80 C ATOM 1045 CG TRP A 59 -15.110 12.303 3.075 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -14.468 11.815 1.941 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -14.355 13.380 3.513 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -13.367 12.553 1.712 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -13.284 13.505 2.653 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -14.537 14.240 4.584 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -12.333 14.499 2.828 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -13.588 15.244 4.769 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -12.499 15.371 3.902 1.00 3.69 C ATOM 0 H TRP A 59 -17.482 9.003 4.469 1.00 1.76 H new ATOM 0 HA TRP A 59 -15.644 9.748 3.725 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -17.091 11.639 2.860 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -16.776 12.538 4.331 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -14.800 10.980 1.342 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -12.705 12.412 0.949 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -15.381 14.136 5.250 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -11.493 14.594 2.156 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -13.696 15.933 5.594 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -11.776 16.156 4.067 1.00 3.69 H new ATOM 1064 N SER A 60 -14.784 9.741 6.313 1.00 1.88 N ATOM 1065 CA SER A 60 -13.763 9.942 7.268 1.00 1.98 C ATOM 1066 C SER A 60 -12.901 8.762 7.306 1.00 1.92 C ATOM 1067 O SER A 60 -12.005 8.698 8.174 1.00 1.98 O ATOM 1068 CB SER A 60 -14.364 10.156 8.657 1.00 2.09 C ATOM 1069 OG SER A 60 -15.238 11.276 8.633 1.00 2.15 O ATOM 0 H SER A 60 -15.234 8.826 6.346 1.00 1.88 H new ATOM 0 HA SER A 60 -13.189 10.825 6.986 1.00 1.98 H new ATOM 0 HB2 SER A 60 -14.908 9.265 8.970 1.00 2.09 H new ATOM 0 HB3 SER A 60 -13.570 10.317 9.386 1.00 2.09 H new ATOM 0 HG SER A 60 -15.623 11.410 9.524 1.00 2.15 H new ATOM 1075 N HIS A 61 -13.093 7.779 6.407 1.00 1.87 N ATOM 1076 CA HIS A 61 -12.353 6.567 6.364 1.00 1.91 C ATOM 1077 C HIS A 61 -11.740 6.116 7.615 1.00 1.97 C ATOM 1078 O HIS A 61 -10.497 5.996 7.691 1.00 2.60 O ATOM 1079 CB HIS A 61 -11.312 6.625 5.242 1.00 2.74 C ATOM 1080 CG HIS A 61 -10.518 7.848 5.307 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -10.673 8.923 4.521 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -9.490 8.127 6.196 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -9.773 9.845 4.894 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -9.050 9.362 5.916 1.00 4.06 N ATOM 0 H HIS A 61 -13.802 7.839 5.676 1.00 1.87 H new ATOM 0 HA HIS A 61 -13.107 5.806 6.165 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -10.653 5.759 5.311 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -11.814 6.568 4.276 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -11.356 9.022 3.770 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -9.115 7.472 6.969 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -9.650 10.819 4.444 1.00 4.69 H new ATOM 1093 N PRO A 62 -12.506 5.779 8.668 1.00 1.93 N ATOM 1094 CA PRO A 62 -11.975 5.234 9.858 1.00 2.45 C ATOM 1095 C PRO A 62 -11.918 3.804 9.754 1.00 2.07 C ATOM 1096 O PRO A 62 -11.643 3.131 10.733 1.00 2.31 O ATOM 1097 CB PRO A 62 -13.039 5.587 10.891 1.00 3.15 C ATOM 1098 CG PRO A 62 -14.322 5.445 10.076 1.00 2.98 C ATOM 1099 CD PRO A 62 -13.927 5.941 8.682 1.00 2.10 C ATOM 0 HA PRO A 62 -10.975 5.601 10.088 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -13.020 4.911 11.745 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -12.912 6.597 11.281 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -14.667 4.411 10.050 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -15.132 6.040 10.498 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -14.407 5.357 7.896 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -14.215 6.981 8.528 1.00 2.10 H new ATOM 1107 N GLN A 63 -12.185 3.222 8.610 1.00 1.69 N ATOM 1108 CA GLN A 63 -12.209 1.821 8.464 1.00 1.52 C ATOM 1109 C GLN A 63 -10.902 1.286 8.081 1.00 1.57 C ATOM 1110 O GLN A 63 -10.851 0.115 7.651 1.00 1.92 O ATOM 1111 CB GLN A 63 -13.209 1.496 7.353 1.00 1.70 C ATOM 1112 CG GLN A 63 -14.606 1.995 7.729 1.00 2.04 C ATOM 1113 CD GLN A 63 -15.098 1.286 8.906 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -15.392 1.920 9.942 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -15.255 -0.044 8.869 1.00 2.72 N ATOM 0 H GLN A 63 -12.392 3.733 7.752 1.00 1.69 H new ATOM 0 HA GLN A 63 -12.486 1.372 9.418 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -12.889 1.960 6.420 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -13.234 0.420 7.181 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -14.575 3.066 7.928 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -15.290 1.845 6.894 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -15.015 -0.563 8.024 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -15.614 -0.538 9.686 1.00 2.72 H new ATOM 1124 N PHE A 64 -9.788 2.034 8.158 1.00 1.51 N ATOM 1125 CA PHE A 64 -8.516 1.560 7.747 1.00 1.64 C ATOM 1126 C PHE A 64 -8.219 0.177 8.142 1.00 1.92 C ATOM 1127 O PHE A 64 -7.773 -0.602 7.271 1.00 2.61 O ATOM 1128 CB PHE A 64 -7.463 2.541 8.276 1.00 1.89 C ATOM 1129 CG PHE A 64 -7.511 2.642 9.733 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -8.511 3.394 10.337 1.00 3.73 C ATOM 1131 CD2 PHE A 64 -6.531 2.047 10.517 1.00 3.61 C ATOM 1132 CE1 PHE A 64 -8.554 3.518 11.721 1.00 4.94 C ATOM 1133 CE2 PHE A 64 -6.571 2.167 11.901 1.00 4.84 C ATOM 1134 CZ PHE A 64 -7.587 2.900 12.504 1.00 5.47 C ATOM 0 H PHE A 64 -9.777 2.989 8.515 1.00 1.51 H new ATOM 0 HA PHE A 64 -8.507 1.521 6.658 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -6.471 2.214 7.965 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -7.627 3.525 7.836 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -9.257 3.884 9.729 1.00 3.73 H new ATOM 0 HD2 PHE A 64 -5.734 1.488 10.049 1.00 3.61 H new ATOM 0 HE1 PHE A 64 -9.339 4.095 12.187 1.00 4.94 H new ATOM 0 HE2 PHE A 64 -5.814 1.692 12.507 1.00 4.84 H new ATOM 0 HZ PHE A 64 -7.624 2.989 13.580 1.00 5.47 H new ATOM 1144 N GLU A 65 -8.421 -0.300 9.381 1.00 2.15 N ATOM 1145 CA GLU A 65 -8.204 -1.675 9.640 1.00 3.00 C ATOM 1146 C GLU A 65 -9.453 -2.289 10.076 1.00 3.61 C ATOM 1147 O GLU A 65 -9.444 -3.112 11.016 1.00 4.51 O ATOM 1148 CB GLU A 65 -7.140 -1.936 10.710 1.00 3.51 C ATOM 1149 CG GLU A 65 -5.757 -1.521 10.210 1.00 3.70 C ATOM 1150 CD GLU A 65 -4.768 -1.811 11.245 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -4.889 -1.310 12.384 1.00 5.13 O ATOM 1152 OE2 GLU A 65 -3.805 -2.567 10.992 1.00 5.30 O ATOM 0 H GLU A 65 -8.727 0.254 10.181 1.00 2.15 H new ATOM 0 HA GLU A 65 -7.844 -2.110 8.708 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -7.385 -1.383 11.616 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -7.134 -2.994 10.974 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -5.511 -2.058 9.294 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -5.748 -0.458 9.968 1.00 3.70 H new ATOM 1159 N LYS A 66 -10.610 -1.941 9.499 1.00 3.38 N ATOM 1160 CA LYS A 66 -11.823 -2.508 9.934 1.00 4.28 C ATOM 1161 C LYS A 66 -12.521 -3.083 8.788 1.00 5.06 C ATOM 1162 O LYS A 66 -13.648 -2.652 8.461 1.00 5.16 O ATOM 1163 CB LYS A 66 -12.681 -1.411 10.565 1.00 4.09 C ATOM 1164 CG LYS A 66 -11.962 -0.859 11.798 1.00 3.93 C ATOM 1165 CD LYS A 66 -12.810 0.230 12.457 1.00 4.32 C ATOM 1166 CE LYS A 66 -12.059 0.779 13.673 1.00 4.83 C ATOM 1167 NZ LYS A 66 -12.862 1.811 14.328 1.00 5.28 N ATOM 1168 OXT LYS A 66 -11.991 -4.005 8.131 1.00 5.89 O ATOM 0 H LYS A 66 -10.697 -1.270 8.736 1.00 3.38 H new ATOM 0 HA LYS A 66 -11.632 -3.291 10.668 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -12.859 -0.612 9.845 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -13.655 -1.811 10.846 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -11.773 -1.663 12.509 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -10.992 -0.452 11.511 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -13.012 1.031 11.746 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -13.774 -0.177 12.762 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -11.845 -0.028 14.374 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -11.100 1.194 13.363 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -12.347 2.180 15.153 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -13.044 2.586 13.659 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -13.766 1.402 14.639 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 6.034 -16.053 -4.604 1.00 4.10 N ATOM 1184 CA MET B 1 4.776 -16.157 -3.867 1.00 3.64 C ATOM 1185 C MET B 1 4.065 -14.882 -3.964 1.00 3.21 C ATOM 1186 O MET B 1 3.672 -14.467 -5.076 1.00 3.62 O ATOM 1187 CB MET B 1 5.065 -16.464 -2.394 1.00 4.45 C ATOM 1188 CG MET B 1 5.688 -17.855 -2.259 1.00 5.33 C ATOM 1189 SD MET B 1 7.336 -17.843 -2.982 1.00 5.99 S ATOM 1190 CE MET B 1 7.607 -19.571 -2.560 1.00 6.70 C ATOM 0 H1 MET B 1 6.776 -16.580 -4.100 1.00 4.10 H new ATOM 0 H2 MET B 1 5.912 -16.452 -5.557 1.00 4.10 H new ATOM 0 H3 MET B 1 6.310 -15.053 -4.680 1.00 4.10 H new ATOM 0 HA MET B 1 4.168 -16.958 -4.289 1.00 3.64 H new ATOM 0 HB2 MET B 1 5.740 -15.713 -1.984 1.00 4.45 H new ATOM 0 HB3 MET B 1 4.142 -16.413 -1.816 1.00 4.45 H new ATOM 0 HG2 MET B 1 5.742 -18.141 -1.209 1.00 5.33 H new ATOM 0 HG3 MET B 1 5.064 -18.595 -2.760 1.00 5.33 H new ATOM 0 HE1 MET B 1 8.598 -19.877 -2.897 1.00 6.70 H new ATOM 0 HE2 MET B 1 7.536 -19.697 -1.480 1.00 6.70 H new ATOM 0 HE3 MET B 1 6.852 -20.187 -3.048 1.00 6.70 H new ATOM 1202 N GLU B 2 3.861 -14.156 -2.856 1.00 2.53 N ATOM 1203 CA GLU B 2 3.179 -12.922 -2.886 1.00 2.22 C ATOM 1204 C GLU B 2 3.308 -12.378 -1.538 1.00 1.85 C ATOM 1205 O GLU B 2 3.950 -11.325 -1.331 1.00 1.99 O ATOM 1206 CB GLU B 2 1.701 -13.128 -3.230 1.00 2.48 C ATOM 1207 CG GLU B 2 1.049 -11.773 -3.510 1.00 2.85 C ATOM 1208 CD GLU B 2 1.572 -11.244 -4.767 1.00 3.41 C ATOM 1209 OE1 GLU B 2 2.796 -11.021 -4.891 1.00 3.75 O ATOM 1210 OE2 GLU B 2 0.798 -11.027 -5.724 1.00 3.99 O ATOM 0 H GLU B 2 4.178 -14.437 -1.928 1.00 2.53 H new ATOM 0 HA GLU B 2 3.592 -12.254 -3.642 1.00 2.22 H new ATOM 0 HB2 GLU B 2 1.606 -13.776 -4.101 1.00 2.48 H new ATOM 0 HB3 GLU B 2 1.191 -13.626 -2.405 1.00 2.48 H new ATOM 0 HG2 GLU B 2 -0.034 -11.881 -3.569 1.00 2.85 H new ATOM 0 HG3 GLU B 2 1.256 -11.080 -2.695 1.00 2.85 H new ATOM 1217 N LYS B 3 2.741 -13.039 -0.520 1.00 1.85 N ATOM 1218 CA LYS B 3 2.959 -12.618 0.804 1.00 1.95 C ATOM 1219 C LYS B 3 4.350 -12.941 1.111 1.00 1.67 C ATOM 1220 O LYS B 3 4.792 -14.073 0.822 1.00 1.92 O ATOM 1221 CB LYS B 3 1.980 -13.347 1.729 1.00 2.60 C ATOM 1222 CG LYS B 3 2.238 -14.855 1.727 1.00 3.26 C ATOM 1223 CD LYS B 3 3.404 -15.185 2.661 1.00 3.92 C ATOM 1224 CE LYS B 3 3.029 -14.786 4.090 1.00 4.14 C ATOM 1225 NZ LYS B 3 4.126 -15.117 4.998 1.00 4.84 N ATOM 0 H LYS B 3 2.139 -13.856 -0.621 1.00 1.85 H new ATOM 0 HA LYS B 3 2.790 -11.550 0.940 1.00 1.95 H new ATOM 0 HB2 LYS B 3 2.077 -12.960 2.743 1.00 2.60 H new ATOM 0 HB3 LYS B 3 0.957 -13.150 1.409 1.00 2.60 H new ATOM 0 HG2 LYS B 3 1.342 -15.386 2.048 1.00 3.26 H new ATOM 0 HG3 LYS B 3 2.464 -15.193 0.716 1.00 3.26 H new ATOM 0 HD2 LYS B 3 3.632 -16.250 2.616 1.00 3.92 H new ATOM 0 HD3 LYS B 3 4.301 -14.653 2.345 1.00 3.92 H new ATOM 0 HE2 LYS B 3 2.816 -13.718 4.136 1.00 4.14 H new ATOM 0 HE3 LYS B 3 2.121 -15.305 4.397 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 3.842 -14.908 5.976 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 4.354 -16.128 4.913 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 4.963 -14.551 4.752 1.00 4.84 H new ATOM 1239 N ARG B 4 5.152 -12.032 1.683 1.00 1.50 N ATOM 1240 CA ARG B 4 6.516 -12.320 1.908 1.00 1.29 C ATOM 1241 C ARG B 4 6.700 -13.424 2.848 1.00 1.50 C ATOM 1242 O ARG B 4 6.225 -13.318 4.000 1.00 1.81 O ATOM 1243 CB ARG B 4 7.166 -11.082 2.525 1.00 1.45 C ATOM 1244 CG ARG B 4 8.602 -11.427 2.908 1.00 1.70 C ATOM 1245 CD ARG B 4 9.439 -11.669 1.652 1.00 2.72 C ATOM 1246 NE ARG B 4 10.571 -12.439 1.992 1.00 3.33 N ATOM 1247 CZ ARG B 4 11.429 -12.844 1.046 1.00 4.45 C ATOM 1248 NH1 ARG B 4 11.230 -12.508 -0.235 1.00 5.09 N ATOM 1249 NH2 ARG B 4 12.496 -13.581 1.384 1.00 5.20 N ATOM 0 H ARG B 4 4.852 -11.105 1.986 1.00 1.50 H new ATOM 0 HA ARG B 4 6.962 -12.598 0.953 1.00 1.29 H new ATOM 0 HB2 ARG B 4 7.152 -10.254 1.816 1.00 1.45 H new ATOM 0 HB3 ARG B 4 6.607 -10.759 3.403 1.00 1.45 H new ATOM 0 HG2 ARG B 4 9.035 -10.615 3.492 1.00 1.70 H new ATOM 0 HG3 ARG B 4 8.614 -12.316 3.539 1.00 1.70 H new ATOM 0 HD2 ARG B 4 8.845 -12.186 0.898 1.00 2.72 H new ATOM 0 HD3 ARG B 4 9.748 -10.718 1.217 1.00 2.72 H new ATOM 0 HE ARG B 4 10.738 -12.690 2.967 1.00 3.33 H new ATOM 0 HH11 ARG B 4 10.422 -11.941 -0.494 1.00 5.09 H new ATOM 0 HH12 ARG B 4 11.886 -12.819 -0.952 1.00 5.09 H new ATOM 0 HH21 ARG B 4 12.654 -13.833 2.360 1.00 5.20 H new ATOM 0 HH22 ARG B 4 13.150 -13.890 0.665 1.00 5.20 H new ATOM 1263 N PRO B 5 7.379 -14.529 2.489 1.00 1.56 N ATOM 1264 CA PRO B 5 7.625 -15.603 3.378 1.00 1.84 C ATOM 1265 C PRO B 5 8.196 -15.210 4.634 1.00 1.57 C ATOM 1266 O PRO B 5 7.678 -15.632 5.656 1.00 1.86 O ATOM 1267 CB PRO B 5 8.600 -16.488 2.600 1.00 2.15 C ATOM 1268 CG PRO B 5 8.202 -16.229 1.151 1.00 2.06 C ATOM 1269 CD PRO B 5 7.873 -14.738 1.165 1.00 1.65 C ATOM 0 HA PRO B 5 6.693 -16.094 3.660 1.00 1.84 H new ATOM 0 HB2 PRO B 5 9.637 -16.213 2.791 1.00 2.15 H new ATOM 0 HB3 PRO B 5 8.495 -17.539 2.867 1.00 2.15 H new ATOM 0 HG2 PRO B 5 9.012 -16.460 0.459 1.00 2.06 H new ATOM 0 HG3 PRO B 5 7.345 -16.832 0.851 1.00 2.06 H new ATOM 0 HD2 PRO B 5 8.754 -14.129 0.962 1.00 1.65 H new ATOM 0 HD3 PRO B 5 7.128 -14.482 0.411 1.00 1.65 H new ATOM 1277 N ARG B 6 9.242 -14.421 4.740 1.00 1.20 N ATOM 1278 CA ARG B 6 9.657 -14.080 6.048 1.00 1.13 C ATOM 1279 C ARG B 6 9.733 -12.630 6.233 1.00 1.07 C ATOM 1280 O ARG B 6 8.739 -12.042 6.711 1.00 1.45 O ATOM 1281 CB ARG B 6 11.072 -14.607 6.328 1.00 1.21 C ATOM 1282 CG ARG B 6 11.108 -16.114 6.605 1.00 1.55 C ATOM 1283 CD ARG B 6 11.141 -16.903 5.294 1.00 1.87 C ATOM 1284 NE ARG B 6 11.318 -18.276 5.567 1.00 2.69 N ATOM 1285 CZ ARG B 6 12.097 -19.020 4.770 1.00 3.24 C ATOM 1286 NH1 ARG B 6 12.727 -18.456 3.730 1.00 3.20 N ATOM 1287 NH2 ARG B 6 12.247 -20.329 5.011 1.00 4.21 N ATOM 0 H ARG B 6 9.785 -14.029 3.971 1.00 1.20 H new ATOM 0 HA ARG B 6 8.919 -14.521 6.717 1.00 1.13 H new ATOM 0 HB2 ARG B 6 11.712 -14.385 5.474 1.00 1.21 H new ATOM 0 HB3 ARG B 6 11.488 -14.076 7.184 1.00 1.21 H new ATOM 0 HG2 ARG B 6 11.985 -16.358 7.205 1.00 1.55 H new ATOM 0 HG3 ARG B 6 10.233 -16.403 7.188 1.00 1.55 H new ATOM 0 HD2 ARG B 6 10.213 -16.749 4.743 1.00 1.87 H new ATOM 0 HD3 ARG B 6 11.952 -16.541 4.661 1.00 1.87 H new ATOM 0 HE ARG B 6 10.854 -18.701 6.370 1.00 2.69 H new ATOM 0 HH11 ARG B 6 12.614 -17.459 3.545 1.00 3.20 H new ATOM 0 HH12 ARG B 6 13.320 -19.023 3.124 1.00 3.20 H new ATOM 0 HH21 ARG B 6 11.768 -20.760 5.802 1.00 4.21 H new ATOM 0 HH22 ARG B 6 12.840 -20.895 4.404 1.00 4.21 H new ATOM 1301 N THR B 7 10.822 -11.914 5.898 1.00 0.98 N ATOM 1302 CA THR B 7 10.827 -10.516 6.123 1.00 0.87 C ATOM 1303 C THR B 7 11.554 -9.753 5.107 1.00 0.88 C ATOM 1304 O THR B 7 12.316 -8.846 5.506 1.00 0.89 O ATOM 1305 CB THR B 7 11.488 -10.195 7.469 1.00 0.86 C ATOM 1306 OG1 THR B 7 12.801 -10.736 7.491 1.00 0.94 O ATOM 1307 CG2 THR B 7 10.681 -10.765 8.639 1.00 0.90 C ATOM 0 H THR B 7 11.672 -12.296 5.484 1.00 0.98 H new ATOM 0 HA THR B 7 9.777 -10.224 6.095 1.00 0.87 H new ATOM 0 HB THR B 7 11.526 -9.111 7.580 1.00 0.86 H new ATOM 0 HG1 THR B 7 13.225 -10.530 8.350 1.00 0.94 H new ATOM 0 HG21 THR B 7 11.178 -10.519 9.578 1.00 0.90 H new ATOM 0 HG22 THR B 7 9.680 -10.334 8.635 1.00 0.90 H new ATOM 0 HG23 THR B 7 10.610 -11.848 8.539 1.00 0.90 H new ATOM 1315 N GLU B 8 11.471 -9.972 3.788 1.00 0.91 N ATOM 1316 CA GLU B 8 12.216 -9.146 2.915 1.00 0.98 C ATOM 1317 C GLU B 8 11.382 -8.571 1.860 1.00 0.96 C ATOM 1318 O GLU B 8 11.680 -8.823 0.673 1.00 1.30 O ATOM 1319 CB GLU B 8 13.336 -9.943 2.243 1.00 1.20 C ATOM 1320 CG GLU B 8 14.375 -10.386 3.275 1.00 1.29 C ATOM 1321 CD GLU B 8 15.099 -9.226 3.790 1.00 1.75 C ATOM 1322 OE1 GLU B 8 14.908 -8.092 3.300 1.00 2.26 O ATOM 1323 OE2 GLU B 8 15.932 -9.373 4.711 1.00 2.23 O ATOM 0 H GLU B 8 10.907 -10.696 3.342 1.00 0.91 H new ATOM 0 HA GLU B 8 12.628 -8.344 3.527 1.00 0.98 H new ATOM 0 HB2 GLU B 8 12.918 -10.816 1.742 1.00 1.20 H new ATOM 0 HB3 GLU B 8 13.814 -9.333 1.476 1.00 1.20 H new ATOM 0 HG2 GLU B 8 13.884 -10.911 4.094 1.00 1.29 H new ATOM 0 HG3 GLU B 8 15.074 -11.088 2.820 1.00 1.29 H new ATOM 1330 N PHE B 9 10.346 -7.776 2.174 1.00 0.75 N ATOM 1331 CA PHE B 9 9.568 -7.069 1.219 1.00 0.68 C ATOM 1332 C PHE B 9 9.524 -7.628 -0.134 1.00 0.81 C ATOM 1333 O PHE B 9 10.318 -7.199 -0.998 1.00 0.93 O ATOM 1334 CB PHE B 9 10.008 -5.600 1.172 1.00 0.55 C ATOM 1335 CG PHE B 9 11.440 -5.492 0.906 1.00 0.57 C ATOM 1336 CD1 PHE B 9 11.932 -5.652 -0.383 1.00 0.87 C ATOM 1337 CD2 PHE B 9 12.316 -5.254 1.958 1.00 0.82 C ATOM 1338 CE1 PHE B 9 13.300 -5.577 -0.620 1.00 0.92 C ATOM 1339 CE2 PHE B 9 13.683 -5.167 1.721 1.00 0.89 C ATOM 1340 CZ PHE B 9 14.175 -5.331 0.431 1.00 0.72 C ATOM 0 H PHE B 9 10.041 -7.622 3.135 1.00 0.75 H new ATOM 0 HA PHE B 9 8.544 -7.168 1.578 1.00 0.68 H new ATOM 0 HB2 PHE B 9 9.450 -5.074 0.398 1.00 0.55 H new ATOM 0 HB3 PHE B 9 9.773 -5.115 2.120 1.00 0.55 H new ATOM 0 HD1 PHE B 9 11.252 -5.835 -1.202 1.00 0.87 H new ATOM 0 HD2 PHE B 9 11.934 -5.136 2.961 1.00 0.82 H new ATOM 0 HE1 PHE B 9 13.683 -5.710 -1.621 1.00 0.92 H new ATOM 0 HE2 PHE B 9 14.362 -4.972 2.538 1.00 0.89 H new ATOM 0 HZ PHE B 9 15.237 -5.267 0.246 1.00 0.72 H new ATOM 1350 N SER B 10 8.622 -8.561 -0.481 1.00 0.92 N ATOM 1351 CA SER B 10 8.573 -9.027 -1.815 1.00 1.07 C ATOM 1352 C SER B 10 7.743 -8.122 -2.606 1.00 0.95 C ATOM 1353 O SER B 10 7.141 -7.189 -2.038 1.00 0.79 O ATOM 1354 CB SER B 10 7.962 -10.428 -1.907 1.00 1.27 C ATOM 1355 OG SER B 10 8.801 -11.380 -1.275 1.00 1.65 O ATOM 0 H SER B 10 7.942 -8.981 0.153 1.00 0.92 H new ATOM 0 HA SER B 10 9.596 -9.064 -2.190 1.00 1.07 H new ATOM 0 HB2 SER B 10 6.978 -10.433 -1.437 1.00 1.27 H new ATOM 0 HB3 SER B 10 7.817 -10.700 -2.953 1.00 1.27 H new ATOM 0 HG SER B 10 8.395 -12.269 -1.342 1.00 1.65 H new ATOM 1361 N GLU B 11 7.647 -8.308 -3.932 1.00 1.08 N ATOM 1362 CA GLU B 11 6.912 -7.465 -4.803 1.00 1.08 C ATOM 1363 C GLU B 11 5.656 -6.939 -4.264 1.00 0.97 C ATOM 1364 O GLU B 11 5.394 -5.726 -4.418 1.00 0.94 O ATOM 1365 CB GLU B 11 6.587 -8.297 -6.043 1.00 1.26 C ATOM 1366 CG GLU B 11 7.868 -8.527 -6.849 1.00 1.21 C ATOM 1367 CD GLU B 11 8.822 -9.308 -6.068 1.00 1.81 C ATOM 1368 OE1 GLU B 11 8.488 -10.420 -5.605 1.00 2.60 O ATOM 1369 OE2 GLU B 11 9.979 -8.873 -5.881 1.00 2.29 O ATOM 0 H GLU B 11 8.104 -9.082 -4.413 1.00 1.08 H new ATOM 0 HA GLU B 11 7.532 -6.589 -4.995 1.00 1.08 H new ATOM 0 HB2 GLU B 11 6.152 -9.252 -5.750 1.00 1.26 H new ATOM 0 HB3 GLU B 11 5.846 -7.784 -6.655 1.00 1.26 H new ATOM 0 HG2 GLU B 11 7.634 -9.048 -7.777 1.00 1.21 H new ATOM 0 HG3 GLU B 11 8.310 -7.569 -7.124 1.00 1.21 H new ATOM 1376 N GLU B 12 4.777 -7.725 -3.628 1.00 0.93 N ATOM 1377 CA GLU B 12 3.575 -7.185 -3.115 1.00 0.82 C ATOM 1378 C GLU B 12 3.841 -6.258 -2.016 1.00 0.71 C ATOM 1379 O GLU B 12 3.157 -5.217 -1.903 1.00 0.70 O ATOM 1380 CB GLU B 12 2.700 -8.337 -2.620 1.00 0.86 C ATOM 1381 CG GLU B 12 1.396 -7.799 -2.025 1.00 1.17 C ATOM 1382 CD GLU B 12 0.650 -7.048 -3.031 1.00 2.12 C ATOM 1383 OE1 GLU B 12 0.393 -7.566 -4.139 1.00 2.45 O ATOM 1384 OE2 GLU B 12 0.271 -5.884 -2.778 1.00 2.73 O ATOM 0 H GLU B 12 4.901 -8.725 -3.472 1.00 0.93 H new ATOM 0 HA GLU B 12 3.066 -6.630 -3.903 1.00 0.82 H new ATOM 0 HB2 GLU B 12 2.479 -9.014 -3.445 1.00 0.86 H new ATOM 0 HB3 GLU B 12 3.239 -8.915 -1.869 1.00 0.86 H new ATOM 0 HG2 GLU B 12 0.789 -8.625 -1.655 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.616 -7.157 -1.172 1.00 1.17 H new ATOM 1391 N GLN B 13 4.819 -6.502 -1.132 1.00 0.67 N ATOM 1392 CA GLN B 13 5.064 -5.586 -0.087 1.00 0.57 C ATOM 1393 C GLN B 13 5.820 -4.445 -0.603 1.00 0.52 C ATOM 1394 O GLN B 13 5.805 -3.363 0.022 1.00 0.47 O ATOM 1395 CB GLN B 13 5.885 -6.252 1.016 1.00 0.62 C ATOM 1396 CG GLN B 13 5.097 -7.379 1.690 1.00 0.82 C ATOM 1397 CD GLN B 13 4.988 -8.523 0.791 1.00 1.47 C ATOM 1398 OE1 GLN B 13 6.011 -8.986 0.245 1.00 2.34 O ATOM 1399 NE2 GLN B 13 3.796 -9.083 0.550 1.00 2.04 N ATOM 0 H GLN B 13 5.427 -7.321 -1.145 1.00 0.67 H new ATOM 0 HA GLN B 13 4.107 -5.255 0.317 1.00 0.57 H new ATOM 0 HB2 GLN B 13 6.808 -6.651 0.595 1.00 0.62 H new ATOM 0 HB3 GLN B 13 6.170 -5.508 1.760 1.00 0.62 H new ATOM 0 HG2 GLN B 13 5.593 -7.678 2.613 1.00 0.82 H new ATOM 0 HG3 GLN B 13 4.103 -7.025 1.963 1.00 0.82 H new ATOM 0 HE21 GLN B 13 2.957 -8.708 0.994 1.00 2.04 H new ATOM 0 HE22 GLN B 13 3.726 -9.884 -0.077 1.00 2.04 H new ATOM 1408 N LYS B 14 6.539 -4.559 -1.731 1.00 0.57 N ATOM 1409 CA LYS B 14 7.230 -3.454 -2.272 1.00 0.57 C ATOM 1410 C LYS B 14 6.241 -2.487 -2.737 1.00 0.60 C ATOM 1411 O LYS B 14 6.376 -1.270 -2.485 1.00 0.60 O ATOM 1412 CB LYS B 14 8.061 -3.904 -3.478 1.00 0.65 C ATOM 1413 CG LYS B 14 9.244 -4.775 -3.046 1.00 0.67 C ATOM 1414 CD LYS B 14 9.999 -5.239 -4.297 1.00 1.04 C ATOM 1415 CE LYS B 14 11.183 -6.126 -3.909 1.00 1.36 C ATOM 1416 NZ LYS B 14 11.798 -6.677 -5.116 1.00 1.71 N ATOM 0 H LYS B 14 6.636 -5.423 -2.264 1.00 0.57 H new ATOM 0 HA LYS B 14 7.884 -3.020 -1.516 1.00 0.57 H new ATOM 0 HB2 LYS B 14 7.430 -4.462 -4.169 1.00 0.65 H new ATOM 0 HB3 LYS B 14 8.428 -3.030 -4.016 1.00 0.65 H new ATOM 0 HG2 LYS B 14 9.909 -4.211 -2.392 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.891 -5.635 -2.477 1.00 0.67 H new ATOM 0 HD2 LYS B 14 9.324 -5.789 -4.953 1.00 1.04 H new ATOM 0 HD3 LYS B 14 10.353 -4.374 -4.857 1.00 1.04 H new ATOM 0 HE2 LYS B 14 11.916 -5.547 -3.347 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.848 -6.934 -3.258 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 12.755 -7.017 -4.894 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 11.223 -7.468 -5.469 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 11.854 -5.938 -5.845 1.00 1.71 H new ATOM 1430 N LYS B 15 5.179 -2.930 -3.427 1.00 0.68 N ATOM 1431 CA LYS B 15 4.175 -2.044 -3.868 1.00 0.73 C ATOM 1432 C LYS B 15 3.451 -1.497 -2.722 1.00 0.66 C ATOM 1433 O LYS B 15 3.112 -0.295 -2.729 1.00 0.70 O ATOM 1434 CB LYS B 15 3.203 -2.785 -4.786 1.00 0.82 C ATOM 1435 CG LYS B 15 2.147 -1.798 -5.288 1.00 0.97 C ATOM 1436 CD LYS B 15 1.209 -2.513 -6.261 1.00 1.51 C ATOM 1437 CE LYS B 15 0.687 -3.774 -5.574 1.00 1.07 C ATOM 1438 NZ LYS B 15 0.098 -3.410 -4.288 1.00 1.94 N ATOM 0 H LYS B 15 5.024 -3.907 -3.676 1.00 0.68 H new ATOM 0 HA LYS B 15 4.639 -1.225 -4.418 1.00 0.73 H new ATOM 0 HB2 LYS B 15 3.739 -3.224 -5.627 1.00 0.82 H new ATOM 0 HB3 LYS B 15 2.727 -3.605 -4.248 1.00 0.82 H new ATOM 0 HG2 LYS B 15 1.581 -1.395 -4.448 1.00 0.97 H new ATOM 0 HG3 LYS B 15 2.628 -0.954 -5.782 1.00 0.97 H new ATOM 0 HD2 LYS B 15 0.381 -1.861 -6.541 1.00 1.51 H new ATOM 0 HD3 LYS B 15 1.737 -2.770 -7.179 1.00 1.51 H new ATOM 0 HE2 LYS B 15 -0.056 -4.264 -6.203 1.00 1.07 H new ATOM 0 HE3 LYS B 15 1.499 -4.486 -5.427 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 -0.334 -4.250 -3.854 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 0.839 -3.038 -3.660 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 -0.630 -2.682 -4.433 1.00 1.94 H new ATOM 1452 N ALA B 16 3.158 -2.267 -1.665 1.00 0.58 N ATOM 1453 CA ALA B 16 2.490 -1.729 -0.543 1.00 0.53 C ATOM 1454 C ALA B 16 3.233 -0.587 -0.009 1.00 0.50 C ATOM 1455 O ALA B 16 2.627 0.459 0.310 1.00 0.60 O ATOM 1456 CB ALA B 16 2.407 -2.810 0.538 1.00 0.46 C ATOM 0 H ALA B 16 3.386 -3.259 -1.593 1.00 0.58 H new ATOM 0 HA ALA B 16 1.494 -1.400 -0.840 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.893 -2.411 1.413 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.855 -3.668 0.153 1.00 0.46 H new ATOM 0 HB3 ALA B 16 3.413 -3.122 0.819 1.00 0.46 H new ATOM 1462 N LEU B 17 4.566 -0.649 0.129 1.00 0.44 N ATOM 1463 CA LEU B 17 5.280 0.457 0.635 1.00 0.46 C ATOM 1464 C LEU B 17 5.452 1.495 -0.382 1.00 0.57 C ATOM 1465 O LEU B 17 5.762 2.649 -0.018 1.00 0.71 O ATOM 1466 CB LEU B 17 6.648 -0.016 1.117 1.00 0.42 C ATOM 1467 CG LEU B 17 6.567 -0.478 2.573 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.368 -1.405 2.784 1.00 0.38 C ATOM 1469 CD2 LEU B 17 7.857 -1.222 2.917 1.00 0.38 C ATOM 0 H LEU B 17 5.137 -1.460 -0.109 1.00 0.44 H new ATOM 0 HA LEU B 17 4.712 0.887 1.460 1.00 0.46 H new ATOM 0 HB2 LEU B 17 7.000 -0.834 0.488 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.373 0.792 1.025 1.00 0.42 H new ATOM 0 HG LEU B 17 6.442 0.390 3.220 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.331 -1.721 3.827 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.449 -0.875 2.533 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.468 -2.281 2.143 1.00 0.38 H new ATOM 0 HD21 LEU B 17 7.817 -1.559 3.953 1.00 0.38 H new ATOM 0 HD22 LEU B 17 7.967 -2.084 2.259 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.708 -0.554 2.785 1.00 0.38 H new ATOM 1481 N ASP B 18 5.282 1.237 -1.686 1.00 0.59 N ATOM 1482 CA ASP B 18 5.330 2.274 -2.647 1.00 0.70 C ATOM 1483 C ASP B 18 4.256 3.227 -2.391 1.00 0.73 C ATOM 1484 O ASP B 18 4.422 4.446 -2.615 1.00 0.82 O ATOM 1485 CB ASP B 18 5.218 1.697 -4.060 1.00 0.76 C ATOM 1486 CG ASP B 18 4.909 2.750 -5.024 1.00 0.97 C ATOM 1487 OD1 ASP B 18 5.528 3.836 -5.041 1.00 1.25 O ATOM 1488 OD2 ASP B 18 3.951 2.578 -5.808 1.00 1.74 O ATOM 0 H ASP B 18 5.111 0.308 -2.070 1.00 0.59 H new ATOM 0 HA ASP B 18 6.286 2.792 -2.569 1.00 0.70 H new ATOM 0 HB2 ASP B 18 6.153 1.209 -4.334 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.440 0.934 -4.086 1.00 0.76 H new ATOM 1493 N LEU B 19 3.080 2.802 -1.912 1.00 0.67 N ATOM 1494 CA LEU B 19 2.066 3.743 -1.647 1.00 0.70 C ATOM 1495 C LEU B 19 2.329 4.468 -0.397 1.00 0.70 C ATOM 1496 O LEU B 19 1.568 5.400 -0.061 1.00 0.84 O ATOM 1497 CB LEU B 19 0.721 3.020 -1.559 1.00 0.60 C ATOM 1498 CG LEU B 19 0.170 2.753 -2.961 1.00 0.68 C ATOM 1499 CD1 LEU B 19 1.113 1.836 -3.739 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -1.198 2.081 -2.845 1.00 0.69 C ATOM 0 H LEU B 19 2.842 1.830 -1.715 1.00 0.67 H new ATOM 0 HA LEU B 19 2.044 4.471 -2.458 1.00 0.70 H new ATOM 0 HB2 LEU B 19 0.841 2.079 -1.022 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.013 3.623 -0.991 1.00 0.60 H new ATOM 0 HG LEU B 19 0.080 3.701 -3.491 1.00 0.68 H new ATOM 0 HD11 LEU B 19 0.706 1.656 -4.734 1.00 1.16 H new ATOM 0 HD12 LEU B 19 2.091 2.310 -3.827 1.00 1.16 H new ATOM 0 HD13 LEU B 19 1.215 0.887 -3.212 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -1.595 1.889 -3.842 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -1.096 1.138 -2.307 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -1.880 2.736 -2.303 1.00 0.69 H new ATOM 1512 N ALA B 20 3.376 4.183 0.396 1.00 0.62 N ATOM 1513 CA ALA B 20 3.595 4.915 1.584 1.00 0.69 C ATOM 1514 C ALA B 20 4.330 6.150 1.312 1.00 0.83 C ATOM 1515 O ALA B 20 4.660 6.885 2.270 1.00 1.20 O ATOM 1516 CB ALA B 20 4.407 4.069 2.569 1.00 0.72 C ATOM 0 H ALA B 20 4.061 3.450 0.209 1.00 0.62 H new ATOM 0 HA ALA B 20 2.623 5.166 2.009 1.00 0.69 H new ATOM 0 HB1 ALA B 20 4.574 4.637 3.484 1.00 0.72 H new ATOM 0 HB2 ALA B 20 3.859 3.156 2.803 1.00 0.72 H new ATOM 0 HB3 ALA B 20 5.367 3.811 2.122 1.00 0.72 H new ATOM 1522 N PHE B 21 4.664 6.499 0.060 1.00 0.88 N ATOM 1523 CA PHE B 21 5.356 7.705 -0.172 1.00 1.17 C ATOM 1524 C PHE B 21 4.446 8.836 -0.019 1.00 1.60 C ATOM 1525 O PHE B 21 3.216 8.636 0.064 1.00 2.21 O ATOM 1526 CB PHE B 21 5.978 7.694 -1.569 1.00 1.29 C ATOM 1527 CG PHE B 21 7.139 6.809 -1.559 1.00 1.15 C ATOM 1528 CD1 PHE B 21 6.982 5.457 -1.281 1.00 1.63 C ATOM 1529 CD2 PHE B 21 8.411 7.326 -1.781 1.00 1.40 C ATOM 1530 CE1 PHE B 21 8.089 4.619 -1.234 1.00 1.73 C ATOM 1531 CE2 PHE B 21 9.518 6.486 -1.739 1.00 1.60 C ATOM 1532 CZ PHE B 21 9.359 5.135 -1.460 1.00 1.50 C ATOM 0 H PHE B 21 4.455 5.950 -0.774 1.00 0.88 H new ATOM 0 HA PHE B 21 6.159 7.805 0.559 1.00 1.17 H new ATOM 0 HB2 PHE B 21 5.249 7.353 -2.304 1.00 1.29 H new ATOM 0 HB3 PHE B 21 6.274 8.702 -1.858 1.00 1.29 H new ATOM 0 HD1 PHE B 21 5.996 5.056 -1.101 1.00 1.63 H new ATOM 0 HD2 PHE B 21 8.539 8.379 -1.986 1.00 1.40 H new ATOM 0 HE1 PHE B 21 7.963 3.568 -1.022 1.00 1.73 H new ATOM 0 HE2 PHE B 21 10.504 6.885 -1.924 1.00 1.60 H new ATOM 0 HZ PHE B 21 10.221 4.486 -1.419 1.00 1.50 H new ATOM 1542 N TYR B 22 4.987 10.061 0.079 1.00 1.98 N ATOM 1543 CA TYR B 22 4.262 11.245 0.364 1.00 2.49 C ATOM 1544 C TYR B 22 4.156 11.443 1.805 1.00 2.37 C ATOM 1545 O TYR B 22 3.787 12.563 2.217 1.00 2.86 O ATOM 1546 CB TYR B 22 2.836 11.302 -0.188 1.00 3.05 C ATOM 1547 CG TYR B 22 2.252 12.549 0.297 1.00 4.38 C ATOM 1548 CD1 TYR B 22 2.730 13.773 -0.155 1.00 4.86 C ATOM 1549 CD2 TYR B 22 1.246 12.503 1.255 1.00 4.57 C ATOM 1550 CE1 TYR B 22 2.199 14.953 0.352 1.00 5.32 C ATOM 1551 CE2 TYR B 22 0.716 13.683 1.762 1.00 5.05 C ATOM 1552 CZ TYR B 22 1.195 14.908 1.313 1.00 5.69 C ATOM 1553 OH TYR B 22 0.677 16.052 1.806 1.00 5.95 O ATOM 0 H TYR B 22 5.985 10.228 -0.049 1.00 1.98 H new ATOM 0 HA TYR B 22 4.840 12.022 -0.136 1.00 2.49 H new ATOM 0 HB2 TYR B 22 2.841 11.274 -1.278 1.00 3.05 H new ATOM 0 HB3 TYR B 22 2.255 10.444 0.150 1.00 3.05 H new ATOM 0 HD1 TYR B 22 3.512 13.807 -0.899 1.00 4.86 H new ATOM 0 HD2 TYR B 22 0.876 11.550 1.605 1.00 4.57 H new ATOM 0 HE1 TYR B 22 2.566 15.905 -0.001 1.00 5.32 H new ATOM 0 HE2 TYR B 22 -0.068 13.648 2.504 1.00 5.05 H new ATOM 0 HH TYR B 22 -0.015 15.840 2.467 1.00 5.95 H new ATOM 1563 N PHE B 23 4.432 10.451 2.667 1.00 2.53 N ATOM 1564 CA PHE B 23 4.336 10.640 4.061 1.00 3.15 C ATOM 1565 C PHE B 23 3.003 11.080 4.463 1.00 3.06 C ATOM 1566 O PHE B 23 2.871 12.122 5.142 1.00 3.59 O ATOM 1567 CB PHE B 23 5.375 11.657 4.538 1.00 3.86 C ATOM 1568 CG PHE B 23 6.717 11.156 4.260 1.00 4.36 C ATOM 1569 CD1 PHE B 23 7.181 10.025 4.922 1.00 5.13 C ATOM 1570 CD2 PHE B 23 7.540 11.821 3.359 1.00 4.54 C ATOM 1571 CE1 PHE B 23 8.471 9.563 4.690 1.00 5.84 C ATOM 1572 CE2 PHE B 23 8.829 11.357 3.124 1.00 5.32 C ATOM 1573 CZ PHE B 23 9.295 10.232 3.793 1.00 6.77 C ATOM 0 H PHE B 23 4.723 9.515 2.386 1.00 2.53 H new ATOM 0 HA PHE B 23 4.529 9.674 4.527 1.00 3.15 H new ATOM 0 HB2 PHE B 23 5.221 12.612 4.035 1.00 3.86 H new ATOM 0 HB3 PHE B 23 5.258 11.837 5.607 1.00 3.86 H new ATOM 0 HD1 PHE B 23 6.538 9.505 5.617 1.00 5.13 H new ATOM 0 HD2 PHE B 23 7.178 12.697 2.842 1.00 4.54 H new ATOM 0 HE1 PHE B 23 8.832 8.686 5.206 1.00 5.84 H new ATOM 0 HE2 PHE B 23 9.468 11.871 2.421 1.00 5.32 H new ATOM 0 HZ PHE B 23 10.299 9.877 3.616 1.00 6.77 H new ATOM 1583 N ASP B 24 1.921 10.344 4.166 1.00 2.69 N ATOM 1584 CA ASP B 24 0.651 10.721 4.658 1.00 2.83 C ATOM 1585 C ASP B 24 0.576 10.298 6.052 1.00 2.45 C ATOM 1586 O ASP B 24 -0.203 9.375 6.371 1.00 2.75 O ATOM 1587 CB ASP B 24 -0.400 9.934 3.872 1.00 3.32 C ATOM 1588 CG ASP B 24 -1.682 9.988 4.565 1.00 3.96 C ATOM 1589 OD1 ASP B 24 -2.187 11.087 4.882 1.00 4.25 O ATOM 1590 OD2 ASP B 24 -2.242 8.918 4.894 1.00 4.51 O ATOM 0 H ASP B 24 1.931 9.500 3.593 1.00 2.69 H new ATOM 0 HA ASP B 24 0.490 11.795 4.564 1.00 2.83 H new ATOM 0 HB2 ASP B 24 -0.501 10.348 2.869 1.00 3.32 H new ATOM 0 HB3 ASP B 24 -0.081 8.898 3.759 1.00 3.32 H new ATOM 1595 N ARG B 25 1.350 10.897 6.972 1.00 2.47 N ATOM 1596 CA ARG B 25 1.427 10.447 8.309 1.00 2.98 C ATOM 1597 C ARG B 25 1.945 9.074 8.355 1.00 2.30 C ATOM 1598 O ARG B 25 1.947 8.465 9.446 1.00 2.72 O ATOM 1599 CB ARG B 25 0.043 10.502 8.965 1.00 4.08 C ATOM 1600 CG ARG B 25 0.172 10.226 10.464 1.00 4.68 C ATOM 1601 CD ARG B 25 0.701 11.469 11.182 1.00 5.32 C ATOM 1602 NE ARG B 25 2.063 11.664 10.869 1.00 5.75 N ATOM 1603 CZ ARG B 25 2.512 12.893 10.579 1.00 6.57 C ATOM 1604 NH1 ARG B 25 1.666 13.932 10.577 1.00 7.03 N ATOM 1605 NH2 ARG B 25 3.806 13.086 10.291 1.00 7.21 N ATOM 0 H ARG B 25 1.932 11.711 6.774 1.00 2.47 H new ATOM 0 HA ARG B 25 2.107 11.100 8.856 1.00 2.98 H new ATOM 0 HB2 ARG B 25 -0.408 11.481 8.803 1.00 4.08 H new ATOM 0 HB3 ARG B 25 -0.617 9.767 8.505 1.00 4.08 H new ATOM 0 HG2 ARG B 25 -0.797 9.944 10.875 1.00 4.68 H new ATOM 0 HG3 ARG B 25 0.846 9.386 10.631 1.00 4.68 H new ATOM 0 HD2 ARG B 25 0.122 12.344 10.886 1.00 5.32 H new ATOM 0 HD3 ARG B 25 0.579 11.356 12.259 1.00 5.32 H new ATOM 0 HE ARG B 25 2.705 10.871 10.863 1.00 5.75 H new ATOM 0 HH11 ARG B 25 0.680 13.788 10.796 1.00 7.03 H new ATOM 0 HH12 ARG B 25 2.008 14.867 10.356 1.00 7.03 H new ATOM 0 HH21 ARG B 25 4.452 12.297 10.292 1.00 7.21 H new ATOM 0 HH22 ARG B 25 4.145 14.022 10.071 1.00 7.21 H new ATOM 1619 N ARG B 26 2.421 8.459 7.258 1.00 1.75 N ATOM 1620 CA ARG B 26 2.842 7.117 7.312 1.00 1.34 C ATOM 1621 C ARG B 26 4.270 7.085 7.615 1.00 1.19 C ATOM 1622 O ARG B 26 4.910 8.158 7.652 1.00 2.05 O ATOM 1623 CB ARG B 26 2.658 6.479 5.929 1.00 2.02 C ATOM 1624 CG ARG B 26 1.235 6.688 5.398 1.00 2.50 C ATOM 1625 CD ARG B 26 0.173 6.024 6.275 1.00 2.91 C ATOM 1626 NE ARG B 26 -1.106 6.347 5.763 1.00 3.64 N ATOM 1627 CZ ARG B 26 -2.071 5.417 5.747 1.00 4.57 C ATOM 1628 NH1 ARG B 26 -1.810 4.189 6.210 1.00 5.01 N ATOM 1629 NH2 ARG B 26 -3.290 5.712 5.269 1.00 5.37 N ATOM 0 H ARG B 26 2.509 8.900 6.342 1.00 1.75 H new ATOM 0 HA ARG B 26 2.265 6.585 8.068 1.00 1.34 H new ATOM 0 HB2 ARG B 26 3.375 6.910 5.230 1.00 2.02 H new ATOM 0 HB3 ARG B 26 2.872 5.412 5.988 1.00 2.02 H new ATOM 0 HG2 ARG B 26 1.030 7.756 5.332 1.00 2.50 H new ATOM 0 HG3 ARG B 26 1.167 6.288 4.386 1.00 2.50 H new ATOM 0 HD2 ARG B 26 0.314 4.943 6.286 1.00 2.91 H new ATOM 0 HD3 ARG B 26 0.265 6.368 7.305 1.00 2.91 H new ATOM 0 HE ARG B 26 -1.293 7.285 5.407 1.00 3.64 H new ATOM 0 HH11 ARG B 26 -0.882 3.967 6.571 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -2.539 3.475 6.202 1.00 5.01 H new ATOM 0 HH21 ARG B 26 -3.486 6.648 4.915 1.00 5.37 H new ATOM 0 HH22 ARG B 26 -4.020 5.000 5.260 1.00 5.37 H new ATOM 1643 N LEU B 27 4.883 5.911 7.836 1.00 0.90 N ATOM 1644 CA LEU B 27 6.286 5.800 8.000 1.00 0.73 C ATOM 1645 C LEU B 27 6.776 6.286 9.294 1.00 0.77 C ATOM 1646 O LEU B 27 7.952 6.018 9.624 1.00 1.03 O ATOM 1647 CB LEU B 27 7.002 6.485 6.827 1.00 0.72 C ATOM 1648 CG LEU B 27 8.485 6.107 6.785 1.00 0.80 C ATOM 1649 CD1 LEU B 27 9.250 6.860 7.875 1.00 1.23 C ATOM 1650 CD2 LEU B 27 8.643 4.598 6.988 1.00 0.87 C ATOM 0 H LEU B 27 4.387 5.022 7.901 1.00 0.90 H new ATOM 0 HA LEU B 27 6.522 4.736 7.997 1.00 0.73 H new ATOM 0 HB2 LEU B 27 6.525 6.199 5.890 1.00 0.72 H new ATOM 0 HB3 LEU B 27 6.902 7.567 6.919 1.00 0.72 H new ATOM 0 HG LEU B 27 8.892 6.382 5.812 1.00 0.80 H new ATOM 0 HD11 LEU B 27 10.304 6.584 7.837 1.00 1.23 H new ATOM 0 HD12 LEU B 27 9.150 7.933 7.714 1.00 1.23 H new ATOM 0 HD13 LEU B 27 8.842 6.600 8.852 1.00 1.23 H new ATOM 0 HD21 LEU B 27 9.700 4.335 6.957 1.00 0.87 H new ATOM 0 HD22 LEU B 27 8.227 4.315 7.955 1.00 0.87 H new ATOM 0 HD23 LEU B 27 8.114 4.067 6.197 1.00 0.87 H new ATOM 1662 N THR B 28 6.012 7.013 10.124 1.00 0.82 N ATOM 1663 CA THR B 28 6.541 7.473 11.348 1.00 0.93 C ATOM 1664 C THR B 28 6.400 6.398 12.326 1.00 0.87 C ATOM 1665 O THR B 28 5.696 5.418 12.017 1.00 0.80 O ATOM 1666 CB THR B 28 5.772 8.724 11.780 1.00 1.12 C ATOM 1667 OG1 THR B 28 4.411 8.389 12.000 1.00 1.30 O ATOM 1668 CG2 THR B 28 5.859 9.779 10.676 1.00 1.25 C ATOM 0 H THR B 28 5.043 7.275 9.944 1.00 0.82 H new ATOM 0 HA THR B 28 7.594 7.738 11.257 1.00 0.93 H new ATOM 0 HB THR B 28 6.205 9.118 12.699 1.00 1.12 H new ATOM 0 HG1 THR B 28 3.918 9.189 12.278 1.00 1.30 H new ATOM 0 HG21 THR B 28 5.312 10.671 10.981 1.00 1.25 H new ATOM 0 HG22 THR B 28 6.903 10.036 10.500 1.00 1.25 H new ATOM 0 HG23 THR B 28 5.424 9.383 9.759 1.00 1.25 H new ATOM 1676 N PRO B 29 7.033 6.411 13.510 1.00 0.93 N ATOM 1677 CA PRO B 29 6.966 5.336 14.432 1.00 0.90 C ATOM 1678 C PRO B 29 5.658 4.819 14.712 1.00 0.82 C ATOM 1679 O PRO B 29 5.517 3.613 14.834 1.00 0.81 O ATOM 1680 CB PRO B 29 7.589 5.926 15.697 1.00 1.01 C ATOM 1681 CG PRO B 29 8.603 6.920 15.135 1.00 1.10 C ATOM 1682 CD PRO B 29 7.897 7.479 13.899 1.00 1.06 C ATOM 0 HA PRO B 29 7.474 4.465 14.018 1.00 0.90 H new ATOM 0 HB2 PRO B 29 6.845 6.417 16.325 1.00 1.01 H new ATOM 0 HB3 PRO B 29 8.067 5.161 16.308 1.00 1.01 H new ATOM 0 HG2 PRO B 29 8.838 7.705 15.854 1.00 1.10 H new ATOM 0 HG3 PRO B 29 9.543 6.433 14.876 1.00 1.10 H new ATOM 0 HD2 PRO B 29 7.338 8.386 14.129 1.00 1.06 H new ATOM 0 HD3 PRO B 29 8.605 7.733 13.110 1.00 1.06 H new ATOM 1690 N GLU B 30 4.608 5.596 14.826 1.00 0.82 N ATOM 1691 CA GLU B 30 3.360 5.017 15.143 1.00 0.81 C ATOM 1692 C GLU B 30 2.672 4.565 13.933 1.00 0.79 C ATOM 1693 O GLU B 30 1.647 3.856 14.035 1.00 0.84 O ATOM 1694 CB GLU B 30 2.500 6.033 15.895 1.00 0.88 C ATOM 1695 CG GLU B 30 3.193 6.420 17.203 1.00 1.45 C ATOM 1696 CD GLU B 30 3.378 5.235 18.034 1.00 2.08 C ATOM 1697 OE1 GLU B 30 2.392 4.547 18.374 1.00 2.61 O ATOM 1698 OE2 GLU B 30 4.527 4.908 18.402 1.00 2.70 O ATOM 0 H GLU B 30 4.607 6.609 14.704 1.00 0.82 H new ATOM 0 HA GLU B 30 3.529 4.147 15.778 1.00 0.81 H new ATOM 0 HB2 GLU B 30 2.342 6.918 15.279 1.00 0.88 H new ATOM 0 HB3 GLU B 30 1.517 5.610 16.103 1.00 0.88 H new ATOM 0 HG2 GLU B 30 4.158 6.881 16.991 1.00 1.45 H new ATOM 0 HG3 GLU B 30 2.596 7.160 17.736 1.00 1.45 H new ATOM 1705 N TRP B 31 3.133 4.899 12.719 1.00 0.77 N ATOM 1706 CA TRP B 31 2.539 4.375 11.552 1.00 0.78 C ATOM 1707 C TRP B 31 3.473 3.424 10.953 1.00 0.69 C ATOM 1708 O TRP B 31 3.183 2.807 9.905 1.00 0.70 O ATOM 1709 CB TRP B 31 2.152 5.477 10.567 1.00 0.92 C ATOM 1710 CG TRP B 31 0.842 6.001 10.948 1.00 1.37 C ATOM 1711 CD1 TRP B 31 -0.379 5.623 10.397 1.00 2.28 C ATOM 1712 CD2 TRP B 31 0.545 6.915 11.947 1.00 1.67 C ATOM 1713 NE1 TRP B 31 -1.367 6.280 11.029 1.00 2.57 N ATOM 1714 CE2 TRP B 31 -0.826 7.065 11.972 1.00 2.12 C ATOM 1715 CE3 TRP B 31 1.369 7.609 12.819 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 -1.442 7.917 12.876 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 0.762 8.474 13.728 1.00 3.12 C ATOM 1718 CH2 TRP B 31 -0.627 8.624 13.758 1.00 3.02 C ATOM 0 H TRP B 31 3.916 5.531 12.554 1.00 0.77 H new ATOM 0 HA TRP B 31 1.611 3.867 11.813 1.00 0.78 H new ATOM 0 HB2 TRP B 31 2.896 6.273 10.578 1.00 0.92 H new ATOM 0 HB3 TRP B 31 2.122 5.083 9.551 1.00 0.92 H new ATOM 0 HD1 TRP B 31 -0.511 4.916 9.592 1.00 2.28 H new ATOM 0 HE1 TRP B 31 -2.363 6.195 10.825 1.00 2.57 H new ATOM 0 HE3 TRP B 31 2.441 7.484 12.795 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 -2.516 8.029 12.896 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 1.373 9.036 14.418 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -1.075 9.297 14.474 1.00 3.02 H new ATOM 1729 N ARG B 32 4.641 3.205 11.566 1.00 0.68 N ATOM 1730 CA ARG B 32 5.567 2.260 11.091 1.00 0.61 C ATOM 1731 C ARG B 32 5.189 0.998 11.719 1.00 0.61 C ATOM 1732 O ARG B 32 5.107 -0.055 11.049 1.00 0.60 O ATOM 1733 CB ARG B 32 6.952 2.735 11.531 1.00 0.66 C ATOM 1734 CG ARG B 32 8.069 1.959 10.842 1.00 0.89 C ATOM 1735 CD ARG B 32 9.384 2.587 11.303 1.00 0.80 C ATOM 1736 NE ARG B 32 9.347 3.974 11.042 1.00 0.83 N ATOM 1737 CZ ARG B 32 10.254 4.793 11.591 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.217 4.306 12.386 1.00 0.82 N ATOM 1739 NH2 ARG B 32 10.185 6.107 11.340 1.00 0.97 N ATOM 0 H ARG B 32 4.940 3.698 12.407 1.00 0.68 H new ATOM 0 HA ARG B 32 5.579 2.139 10.008 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.058 3.797 11.309 1.00 0.66 H new ATOM 0 HB3 ARG B 32 7.047 2.624 12.611 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.029 0.903 11.109 1.00 0.89 H new ATOM 0 HG3 ARG B 32 7.970 2.018 9.758 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.534 2.408 12.368 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.224 2.128 10.781 1.00 0.80 H new ATOM 0 HE ARG B 32 8.625 4.355 10.431 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.263 3.305 12.577 1.00 0.82 H new ATOM 0 HH12 ARG B 32 11.904 4.936 12.800 1.00 0.82 H new ATOM 0 HH21 ARG B 32 9.448 6.473 10.737 1.00 0.97 H new ATOM 0 HH22 ARG B 32 10.869 6.741 11.752 1.00 0.97 H new ATOM 1753 N ARG B 33 4.884 1.000 13.027 1.00 0.66 N ATOM 1754 CA ARG B 33 4.402 -0.172 13.645 1.00 0.69 C ATOM 1755 C ARG B 33 3.064 -0.485 13.135 1.00 0.71 C ATOM 1756 O ARG B 33 2.610 -1.642 13.264 1.00 0.73 O ATOM 1757 CB ARG B 33 4.362 0.016 15.162 1.00 0.79 C ATOM 1758 CG ARG B 33 3.359 1.112 15.527 1.00 1.15 C ATOM 1759 CD ARG B 33 3.395 1.330 17.040 1.00 1.14 C ATOM 1760 NE ARG B 33 4.694 1.721 17.423 1.00 1.66 N ATOM 1761 CZ ARG B 33 5.019 1.788 18.721 1.00 2.23 C ATOM 1762 NH1 ARG B 33 4.111 1.479 19.656 1.00 2.27 N ATOM 1763 NH2 ARG B 33 6.253 2.162 19.086 1.00 3.10 N ATOM 0 H ARG B 33 4.973 1.808 13.643 1.00 0.66 H new ATOM 0 HA ARG B 33 5.071 -1.001 13.415 1.00 0.69 H new ATOM 0 HB2 ARG B 33 4.082 -0.920 15.645 1.00 0.79 H new ATOM 0 HB3 ARG B 33 5.353 0.281 15.530 1.00 0.79 H new ATOM 0 HG2 ARG B 33 3.605 2.037 15.007 1.00 1.15 H new ATOM 0 HG3 ARG B 33 2.356 0.826 15.211 1.00 1.15 H new ATOM 0 HD2 ARG B 33 2.673 2.095 17.326 1.00 1.14 H new ATOM 0 HD3 ARG B 33 3.111 0.414 17.558 1.00 1.14 H new ATOM 0 HE ARG B 33 5.387 1.953 16.711 1.00 1.66 H new ATOM 0 HH11 ARG B 33 3.172 1.193 19.380 1.00 2.27 H new ATOM 0 HH12 ARG B 33 4.359 1.530 20.644 1.00 2.27 H new ATOM 0 HH21 ARG B 33 6.946 2.396 18.375 1.00 3.10 H new ATOM 0 HH22 ARG B 33 6.499 2.213 20.075 1.00 3.10 H new ATOM 1777 N TYR B 34 2.336 0.475 12.543 1.00 0.73 N ATOM 1778 CA TYR B 34 1.072 0.233 11.959 1.00 0.76 C ATOM 1779 C TYR B 34 1.219 -0.610 10.780 1.00 0.64 C ATOM 1780 O TYR B 34 0.532 -1.648 10.668 1.00 0.67 O ATOM 1781 CB TYR B 34 0.508 1.580 11.510 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.695 1.442 10.697 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.903 1.056 11.262 1.00 1.23 C ATOM 1784 CD2 TYR B 34 -0.618 1.722 9.338 1.00 1.37 C ATOM 1785 CE1 TYR B 34 -3.040 0.979 10.466 1.00 1.18 C ATOM 1786 CE2 TYR B 34 -1.753 1.633 8.541 1.00 1.64 C ATOM 1787 CZ TYR B 34 -2.967 1.268 9.108 1.00 1.18 C ATOM 1788 OH TYR B 34 -4.074 1.204 8.338 1.00 1.42 O ATOM 0 H TYR B 34 2.642 1.445 12.472 1.00 0.73 H new ATOM 0 HA TYR B 34 0.419 -0.261 12.678 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.281 2.185 12.388 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.267 2.116 10.940 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.959 0.817 12.314 1.00 1.23 H new ATOM 0 HD2 TYR B 34 0.326 2.010 8.900 1.00 1.37 H new ATOM 0 HE1 TYR B 34 -3.985 0.693 10.905 1.00 1.18 H new ATOM 0 HE2 TYR B 34 -1.691 1.847 7.484 1.00 1.64 H new ATOM 0 HH TYR B 34 -3.907 1.659 7.486 1.00 1.42 H new ATOM 1798 N LEU B 35 2.084 -0.255 9.818 1.00 0.55 N ATOM 1799 CA LEU B 35 2.233 -1.047 8.661 1.00 0.49 C ATOM 1800 C LEU B 35 2.738 -2.369 9.015 1.00 0.45 C ATOM 1801 O LEU B 35 2.179 -3.395 8.572 1.00 0.46 O ATOM 1802 CB LEU B 35 3.248 -0.376 7.734 1.00 0.57 C ATOM 1803 CG LEU B 35 2.652 0.923 7.192 1.00 0.66 C ATOM 1804 CD1 LEU B 35 3.708 1.667 6.372 1.00 1.03 C ATOM 1805 CD2 LEU B 35 1.443 0.595 6.315 1.00 1.32 C ATOM 0 H LEU B 35 2.673 0.577 9.849 1.00 0.55 H new ATOM 0 HA LEU B 35 1.264 -1.148 8.171 1.00 0.49 H new ATOM 0 HB2 LEU B 35 4.171 -0.169 8.275 1.00 0.57 H new ATOM 0 HB3 LEU B 35 3.504 -1.044 6.911 1.00 0.57 H new ATOM 0 HG LEU B 35 2.335 1.557 8.020 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.283 2.593 5.986 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.565 1.898 7.005 1.00 1.03 H new ATOM 0 HD13 LEU B 35 4.030 1.041 5.540 1.00 1.03 H new ATOM 0 HD21 LEU B 35 1.014 1.519 5.926 1.00 1.32 H new ATOM 0 HD22 LEU B 35 1.757 -0.037 5.484 1.00 1.32 H new ATOM 0 HD23 LEU B 35 0.695 0.070 6.909 1.00 1.32 H new ATOM 1817 N SER B 36 3.781 -2.483 9.848 1.00 0.46 N ATOM 1818 CA SER B 36 4.301 -3.751 10.181 1.00 0.48 C ATOM 1819 C SER B 36 3.400 -4.531 11.033 1.00 0.59 C ATOM 1820 O SER B 36 3.726 -5.700 11.329 1.00 0.66 O ATOM 1821 CB SER B 36 5.645 -3.557 10.886 1.00 0.52 C ATOM 1822 OG SER B 36 5.452 -2.787 12.060 1.00 1.35 O ATOM 0 H SER B 36 4.258 -1.695 10.286 1.00 0.46 H new ATOM 0 HA SER B 36 4.422 -4.316 9.257 1.00 0.48 H new ATOM 0 HB2 SER B 36 6.079 -4.524 11.139 1.00 0.52 H new ATOM 0 HB3 SER B 36 6.349 -3.057 10.221 1.00 0.52 H new ATOM 0 HG SER B 36 5.471 -1.834 11.833 1.00 1.35 H new ATOM 1828 N GLN B 37 2.254 -4.020 11.514 1.00 0.67 N ATOM 1829 CA GLN B 37 1.384 -4.804 12.303 1.00 0.80 C ATOM 1830 C GLN B 37 0.790 -5.878 11.509 1.00 0.75 C ATOM 1831 O GLN B 37 0.774 -7.045 11.957 1.00 0.86 O ATOM 1832 CB GLN B 37 0.251 -3.920 12.828 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.663 -4.746 13.735 1.00 1.09 C ATOM 1834 CD GLN B 37 -1.748 -3.904 14.230 1.00 1.99 C ATOM 1835 OE1 GLN B 37 -1.823 -2.618 13.858 1.00 2.71 O flip ATOM 1836 NE2 GLN B 37 -2.609 -4.382 14.999 1.00 2.65 N flip ATOM 0 H GLN B 37 1.938 -3.064 11.352 1.00 0.67 H new ATOM 0 HA GLN B 37 1.958 -5.235 13.123 1.00 0.80 H new ATOM 0 HB2 GLN B 37 0.661 -3.075 13.380 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.320 -3.510 11.995 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.069 -5.594 13.184 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.093 -5.152 14.571 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -2.553 -5.360 15.283 1.00 2.65 H new ATOM 0 HE22 GLN B 37 -3.368 -3.794 15.343 1.00 2.65 H new ATOM 1845 N ARG B 38 0.250 -5.616 10.309 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.356 -6.659 9.576 1.00 0.68 C ATOM 1847 C ARG B 38 0.311 -6.854 8.291 1.00 0.59 C ATOM 1848 O ARG B 38 -0.136 -7.715 7.502 1.00 0.65 O ATOM 1849 CB ARG B 38 -1.824 -6.313 9.325 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.548 -6.155 10.664 1.00 1.20 C ATOM 1851 CD ARG B 38 -4.051 -6.020 10.421 1.00 1.55 C ATOM 1852 NE ARG B 38 -4.292 -4.934 9.554 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.157 -5.079 8.542 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -5.813 -6.237 8.393 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -5.373 -4.074 7.682 1.00 3.07 N ATOM 0 H ARG B 38 0.236 -4.700 9.860 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.274 -7.578 10.156 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -1.898 -5.391 8.749 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.297 -7.097 8.734 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.348 -7.017 11.301 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -2.174 -5.277 11.190 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -4.444 -6.939 9.987 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -4.571 -5.866 11.367 1.00 1.55 H new ATOM 0 HE ARG B 38 -3.812 -4.046 9.697 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -5.652 -7.002 9.048 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -6.473 -6.354 7.624 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -4.877 -3.190 7.796 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -6.034 -4.193 6.914 1.00 3.07 H new ATOM 1869 N LEU B 39 1.390 -6.130 7.957 1.00 0.55 N ATOM 1870 CA LEU B 39 2.054 -6.352 6.730 1.00 0.47 C ATOM 1871 C LEU B 39 2.777 -7.619 6.785 1.00 0.51 C ATOM 1872 O LEU B 39 2.623 -8.477 5.888 1.00 0.53 O ATOM 1873 CB LEU B 39 3.063 -5.227 6.499 1.00 0.36 C ATOM 1874 CG LEU B 39 3.806 -5.442 5.181 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.812 -5.415 4.020 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.812 -4.308 5.000 1.00 0.24 C ATOM 0 H LEU B 39 1.795 -5.396 8.538 1.00 0.55 H new ATOM 0 HA LEU B 39 1.322 -6.379 5.923 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.549 -4.266 6.482 1.00 0.36 H new ATOM 0 HB3 LEU B 39 3.775 -5.193 7.324 1.00 0.36 H new ATOM 0 HG LEU B 39 4.316 -6.405 5.198 1.00 0.30 H new ATOM 0 HD11 LEU B 39 3.345 -5.569 3.081 1.00 0.34 H new ATOM 0 HD12 LEU B 39 2.075 -6.207 4.153 1.00 0.34 H new ATOM 0 HD13 LEU B 39 2.306 -4.450 3.996 1.00 0.34 H new ATOM 0 HD21 LEU B 39 5.352 -4.446 4.063 1.00 0.24 H new ATOM 0 HD22 LEU B 39 4.285 -3.354 4.978 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.519 -4.313 5.830 1.00 0.24 H new ATOM 1888 N GLY B 40 3.615 -7.849 7.804 1.00 0.56 N ATOM 1889 CA GLY B 40 4.341 -9.054 7.875 1.00 0.64 C ATOM 1890 C GLY B 40 5.768 -8.748 7.856 1.00 0.60 C ATOM 1891 O GLY B 40 6.604 -9.672 7.948 1.00 0.68 O ATOM 0 H GLY B 40 3.784 -7.199 8.572 1.00 0.56 H new ATOM 0 HA2 GLY B 40 4.084 -9.596 8.785 1.00 0.64 H new ATOM 0 HA3 GLY B 40 4.083 -9.700 7.036 1.00 0.64 H new ATOM 1895 N LEU B 41 6.174 -7.476 7.751 1.00 0.54 N ATOM 1896 CA LEU B 41 7.549 -7.166 7.758 1.00 0.54 C ATOM 1897 C LEU B 41 7.869 -6.514 9.022 1.00 0.50 C ATOM 1898 O LEU B 41 6.960 -6.285 9.847 1.00 0.59 O ATOM 1899 CB LEU B 41 7.911 -6.227 6.607 1.00 0.56 C ATOM 1900 CG LEU B 41 7.512 -6.840 5.265 1.00 0.59 C ATOM 1901 CD1 LEU B 41 7.878 -5.853 4.157 1.00 0.60 C ATOM 1902 CD2 LEU B 41 8.258 -8.156 5.045 1.00 1.25 C ATOM 0 H LEU B 41 5.551 -6.674 7.662 1.00 0.54 H new ATOM 0 HA LEU B 41 8.118 -8.088 7.638 1.00 0.54 H new ATOM 0 HB2 LEU B 41 7.407 -5.270 6.740 1.00 0.56 H new ATOM 0 HB3 LEU B 41 8.982 -6.027 6.617 1.00 0.56 H new ATOM 0 HG LEU B 41 6.441 -7.042 5.255 1.00 0.59 H new ATOM 0 HD11 LEU B 41 7.601 -6.273 3.190 1.00 0.60 H new ATOM 0 HD12 LEU B 41 7.343 -4.916 4.313 1.00 0.60 H new ATOM 0 HD13 LEU B 41 8.952 -5.665 4.177 1.00 0.60 H new ATOM 0 HD21 LEU B 41 7.966 -8.584 4.086 1.00 1.25 H new ATOM 0 HD22 LEU B 41 9.332 -7.970 5.048 1.00 1.25 H new ATOM 0 HD23 LEU B 41 8.009 -8.854 5.844 1.00 1.25 H new ATOM 1914 N ASN B 42 9.135 -6.177 9.304 1.00 0.51 N ATOM 1915 CA ASN B 42 9.437 -5.529 10.519 1.00 0.53 C ATOM 1916 C ASN B 42 9.559 -4.099 10.259 1.00 0.44 C ATOM 1917 O ASN B 42 9.693 -3.701 9.083 1.00 0.38 O ATOM 1918 CB ASN B 42 10.744 -6.075 11.098 1.00 0.66 C ATOM 1919 CG ASN B 42 10.558 -7.467 11.500 1.00 0.81 C ATOM 1920 OD1 ASN B 42 9.408 -7.952 11.560 1.00 1.11 O ATOM 1921 ND2 ASN B 42 11.617 -8.216 11.835 1.00 1.45 N ATOM 0 H ASN B 42 9.934 -6.353 8.695 1.00 0.51 H new ATOM 0 HA ASN B 42 8.644 -5.709 11.245 1.00 0.53 H new ATOM 0 HB2 ASN B 42 11.540 -6.003 10.357 1.00 0.66 H new ATOM 0 HB3 ASN B 42 11.052 -5.476 11.955 1.00 0.66 H new ATOM 0 HD21 ASN B 42 11.484 -9.181 12.138 1.00 1.45 H new ATOM 0 HD22 ASN B 42 12.556 -7.822 11.787 1.00 1.45 H new ATOM 1928 N GLU B 43 9.518 -3.223 11.275 1.00 0.47 N ATOM 1929 CA GLU B 43 9.610 -1.831 11.049 1.00 0.45 C ATOM 1930 C GLU B 43 10.859 -1.508 10.364 1.00 0.40 C ATOM 1931 O GLU B 43 10.886 -0.588 9.518 1.00 0.38 O ATOM 1932 CB GLU B 43 9.581 -1.115 12.400 1.00 0.56 C ATOM 1933 CG GLU B 43 8.197 -1.275 13.031 1.00 0.67 C ATOM 1934 CD GLU B 43 8.167 -0.585 14.317 1.00 0.87 C ATOM 1935 OE1 GLU B 43 8.405 0.640 14.375 1.00 1.77 O ATOM 1936 OE2 GLU B 43 7.899 -1.220 15.360 1.00 1.31 O ATOM 0 H GLU B 43 9.420 -3.488 12.255 1.00 0.47 H new ATOM 0 HA GLU B 43 8.774 -1.511 10.427 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.343 -1.529 13.060 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.813 -0.058 12.269 1.00 0.56 H new ATOM 0 HG2 GLU B 43 7.434 -0.866 12.369 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.968 -2.332 13.168 1.00 0.67 H new ATOM 1943 N GLU B 44 11.961 -2.222 10.630 1.00 0.46 N ATOM 1944 CA GLU B 44 13.175 -1.989 9.953 1.00 0.46 C ATOM 1945 C GLU B 44 13.007 -2.226 8.521 1.00 0.40 C ATOM 1946 O GLU B 44 13.570 -1.479 7.693 1.00 0.43 O ATOM 1947 CB GLU B 44 14.220 -2.964 10.498 1.00 0.60 C ATOM 1948 CG GLU B 44 15.567 -2.703 9.821 1.00 1.05 C ATOM 1949 CD GLU B 44 16.564 -3.626 10.357 1.00 1.49 C ATOM 1950 OE1 GLU B 44 16.818 -3.628 11.581 1.00 1.77 O ATOM 1951 OE2 GLU B 44 17.163 -4.413 9.593 1.00 2.32 O ATOM 0 H GLU B 44 12.002 -2.968 11.324 1.00 0.46 H new ATOM 0 HA GLU B 44 13.489 -0.956 10.106 1.00 0.46 H new ATOM 0 HB2 GLU B 44 14.315 -2.845 11.577 1.00 0.60 H new ATOM 0 HB3 GLU B 44 13.903 -3.991 10.317 1.00 0.60 H new ATOM 0 HG2 GLU B 44 15.476 -2.834 8.743 1.00 1.05 H new ATOM 0 HG3 GLU B 44 15.879 -1.673 9.992 1.00 1.05 H new ATOM 1958 N GLN B 45 12.239 -3.237 8.089 1.00 0.40 N ATOM 1959 CA GLN B 45 12.096 -3.495 6.710 1.00 0.41 C ATOM 1960 C GLN B 45 11.201 -2.520 6.087 1.00 0.35 C ATOM 1961 O GLN B 45 11.129 -2.464 4.840 1.00 0.41 O ATOM 1962 CB GLN B 45 11.507 -4.896 6.550 1.00 0.51 C ATOM 1963 CG GLN B 45 12.445 -5.916 7.198 1.00 0.60 C ATOM 1964 CD GLN B 45 13.675 -6.019 6.418 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.771 -5.691 6.921 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.619 -6.483 5.162 1.00 0.97 N ATOM 0 H GLN B 45 11.722 -3.870 8.699 1.00 0.40 H new ATOM 0 HA GLN B 45 13.069 -3.422 6.224 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.522 -4.944 7.015 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.373 -5.128 5.493 1.00 0.51 H new ATOM 0 HG2 GLN B 45 12.675 -5.615 8.220 1.00 0.60 H new ATOM 0 HG3 GLN B 45 11.957 -6.889 7.255 1.00 0.60 H new ATOM 0 HE21 GLN B 45 12.722 -6.749 4.756 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.474 -6.570 4.612 1.00 0.97 H new ATOM 1975 N ILE B 46 10.467 -1.686 6.840 1.00 0.29 N ATOM 1976 CA ILE B 46 9.656 -0.704 6.235 1.00 0.30 C ATOM 1977 C ILE B 46 10.546 0.390 5.864 1.00 0.39 C ATOM 1978 O ILE B 46 10.498 0.897 4.722 1.00 0.52 O ATOM 1979 CB ILE B 46 8.630 -0.163 7.236 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.746 -1.289 7.778 1.00 0.36 C ATOM 1981 CG2 ILE B 46 7.748 0.877 6.541 1.00 0.45 C ATOM 1982 CD1 ILE B 46 6.989 -1.970 6.638 1.00 0.38 C ATOM 0 H ILE B 46 10.441 -1.698 7.860 1.00 0.29 H new ATOM 0 HA ILE B 46 9.124 -1.124 5.381 1.00 0.30 H new ATOM 0 HB ILE B 46 9.166 0.290 8.070 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.360 -2.021 8.303 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.039 -0.887 8.503 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.016 1.265 7.249 1.00 0.45 H new ATOM 0 HG22 ILE B 46 8.369 1.695 6.176 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.230 0.412 5.702 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.365 -2.768 7.041 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.360 -1.239 6.131 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.701 -2.390 5.928 1.00 0.38 H new ATOM 1994 N GLU B 47 11.428 0.810 6.782 1.00 0.38 N ATOM 1995 CA GLU B 47 12.335 1.859 6.526 1.00 0.47 C ATOM 1996 C GLU B 47 13.243 1.506 5.439 1.00 0.51 C ATOM 1997 O GLU B 47 13.520 2.368 4.579 1.00 0.62 O ATOM 1998 CB GLU B 47 13.187 2.056 7.781 1.00 0.50 C ATOM 1999 CG GLU B 47 12.315 2.560 8.931 1.00 0.51 C ATOM 2000 CD GLU B 47 13.140 2.697 10.128 1.00 0.55 C ATOM 2001 OE1 GLU B 47 14.138 3.449 10.116 1.00 1.11 O ATOM 2002 OE2 GLU B 47 12.844 2.069 11.168 1.00 1.19 O ATOM 0 H GLU B 47 11.506 0.409 7.716 1.00 0.38 H new ATOM 0 HA GLU B 47 11.775 2.755 6.257 1.00 0.47 H new ATOM 0 HB2 GLU B 47 13.662 1.115 8.059 1.00 0.50 H new ATOM 0 HB3 GLU B 47 13.986 2.770 7.580 1.00 0.50 H new ATOM 0 HG2 GLU B 47 11.866 3.519 8.671 1.00 0.51 H new ATOM 0 HG3 GLU B 47 11.496 1.865 9.116 1.00 0.51 H new ATOM 2009 N ARG B 48 13.774 0.275 5.389 1.00 0.48 N ATOM 2010 CA ARG B 48 14.686 -0.110 4.381 1.00 0.55 C ATOM 2011 C ARG B 48 14.123 -0.047 3.037 1.00 0.60 C ATOM 2012 O ARG B 48 14.699 0.662 2.189 1.00 0.68 O ATOM 2013 CB ARG B 48 15.187 -1.529 4.651 1.00 0.56 C ATOM 2014 CG ARG B 48 16.561 -1.453 5.322 1.00 0.62 C ATOM 2015 CD ARG B 48 16.474 -0.665 6.629 1.00 0.60 C ATOM 2016 NE ARG B 48 17.748 -0.620 7.232 1.00 0.71 N ATOM 2017 CZ ARG B 48 17.924 0.068 8.368 1.00 0.80 C ATOM 2018 NH1 ARG B 48 16.895 0.727 8.918 1.00 0.79 N ATOM 2019 NH2 ARG B 48 19.130 0.100 8.951 1.00 0.94 N ATOM 0 H ARG B 48 13.562 -0.460 6.063 1.00 0.48 H new ATOM 0 HA ARG B 48 15.508 0.605 4.418 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.484 -2.061 5.292 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.254 -2.089 3.718 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.932 -2.459 5.520 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.275 -0.977 4.650 1.00 0.62 H new ATOM 0 HD2 ARG B 48 16.115 0.346 6.434 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.757 -1.134 7.303 1.00 0.60 H new ATOM 0 HE ARG B 48 18.534 -1.110 6.804 1.00 0.71 H new ATOM 0 HH11 ARG B 48 15.978 0.705 8.472 1.00 0.79 H new ATOM 0 HH12 ARG B 48 17.029 1.251 9.783 1.00 0.79 H new ATOM 0 HH21 ARG B 48 19.913 -0.399 8.530 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.265 0.624 9.816 1.00 0.94 H new ATOM 2033 N TRP B 49 13.053 -0.764 2.669 1.00 0.56 N ATOM 2034 CA TRP B 49 12.597 -0.694 1.332 1.00 0.64 C ATOM 2035 C TRP B 49 12.248 0.675 0.953 1.00 0.69 C ATOM 2036 O TRP B 49 12.571 1.109 -0.176 1.00 0.81 O ATOM 2037 CB TRP B 49 11.361 -1.575 1.165 1.00 0.75 C ATOM 2038 CG TRP B 49 10.909 -1.473 -0.219 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.694 -0.968 -0.670 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.621 -1.830 -1.352 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.665 -1.033 -2.012 1.00 1.29 N ATOM 2042 CE2 TRP B 49 10.824 -1.555 -2.442 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.893 -2.360 -1.490 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 11.259 -1.817 -3.732 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 13.343 -2.623 -2.782 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.534 -2.357 -3.890 1.00 3.63 C ATOM 0 H TRP B 49 12.518 -1.377 3.284 1.00 0.56 H new ATOM 0 HA TRP B 49 13.406 -1.039 0.689 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.596 -2.610 1.412 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.572 -1.256 1.846 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.902 -0.586 -0.043 1.00 0.90 H new ATOM 0 HE1 TRP B 49 8.891 -0.735 -2.605 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.513 -2.562 -0.629 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 10.631 -1.610 -4.586 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 14.329 -3.038 -2.929 1.00 3.66 H new ATOM 0 HH2 TRP B 49 12.902 -2.573 -4.882 1.00 3.63 H new ATOM 2057 N PHE B 50 11.567 1.439 1.819 1.00 0.65 N ATOM 2058 CA PHE B 50 11.172 2.759 1.509 1.00 0.72 C ATOM 2059 C PHE B 50 12.322 3.603 1.175 1.00 0.78 C ATOM 2060 O PHE B 50 12.295 4.323 0.153 1.00 0.89 O ATOM 2061 CB PHE B 50 10.486 3.333 2.752 1.00 0.72 C ATOM 2062 CG PHE B 50 9.941 4.659 2.475 1.00 0.86 C ATOM 2063 CD1 PHE B 50 10.764 5.779 2.476 1.00 1.33 C ATOM 2064 CD2 PHE B 50 8.574 4.803 2.266 1.00 1.66 C ATOM 2065 CE1 PHE B 50 10.224 7.038 2.241 1.00 1.54 C ATOM 2066 CE2 PHE B 50 8.034 6.063 2.040 1.00 2.06 C ATOM 2067 CZ PHE B 50 8.859 7.180 2.021 1.00 1.68 C ATOM 0 H PHE B 50 11.289 1.128 2.750 1.00 0.65 H new ATOM 0 HA PHE B 50 10.508 2.742 0.645 1.00 0.72 H new ATOM 0 HB2 PHE B 50 9.686 2.666 3.073 1.00 0.72 H new ATOM 0 HB3 PHE B 50 11.200 3.392 3.573 1.00 0.72 H new ATOM 0 HD1 PHE B 50 11.823 5.671 2.659 1.00 1.33 H new ATOM 0 HD2 PHE B 50 7.932 3.935 2.279 1.00 1.66 H new ATOM 0 HE1 PHE B 50 10.866 7.907 2.229 1.00 1.54 H new ATOM 0 HE2 PHE B 50 6.972 6.174 1.879 1.00 2.06 H new ATOM 0 HZ PHE B 50 8.440 8.158 1.835 1.00 1.68 H new ATOM 2077 N ARG B 51 13.393 3.635 1.983 1.00 0.75 N ATOM 2078 CA ARG B 51 14.480 4.494 1.704 1.00 0.82 C ATOM 2079 C ARG B 51 15.331 3.963 0.641 1.00 0.87 C ATOM 2080 O ARG B 51 15.997 4.769 -0.042 1.00 0.99 O ATOM 2081 CB ARG B 51 15.288 4.785 2.974 1.00 0.80 C ATOM 2082 CG ARG B 51 16.040 3.546 3.464 1.00 0.78 C ATOM 2083 CD ARG B 51 17.429 3.500 2.825 1.00 1.15 C ATOM 2084 NE ARG B 51 18.094 2.323 3.223 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.357 2.383 3.665 1.00 1.92 C ATOM 2086 NH1 ARG B 51 19.984 3.565 3.746 1.00 2.22 N ATOM 2087 NH2 ARG B 51 19.996 1.262 4.025 1.00 2.46 N ATOM 0 H ARG B 51 13.499 3.067 2.823 1.00 0.75 H new ATOM 0 HA ARG B 51 14.069 5.437 1.344 1.00 0.82 H new ATOM 0 HB2 ARG B 51 15.999 5.588 2.777 1.00 0.80 H new ATOM 0 HB3 ARG B 51 14.618 5.138 3.758 1.00 0.80 H new ATOM 0 HG2 ARG B 51 16.129 3.569 4.550 1.00 0.78 H new ATOM 0 HG3 ARG B 51 15.482 2.645 3.209 1.00 0.78 H new ATOM 0 HD2 ARG B 51 17.342 3.531 1.739 1.00 1.15 H new ATOM 0 HD3 ARG B 51 18.007 4.375 3.123 1.00 1.15 H new ATOM 0 HE ARG B 51 17.613 1.425 3.174 1.00 1.48 H new ATOM 0 HH11 ARG B 51 19.499 4.419 3.471 1.00 2.22 H new ATOM 0 HH12 ARG B 51 20.946 3.610 4.083 1.00 2.22 H new ATOM 0 HH21 ARG B 51 19.521 0.362 3.963 1.00 2.46 H new ATOM 0 HH22 ARG B 51 20.958 1.309 4.361 1.00 2.46 H new ATOM 2101 N ARG B 52 15.423 2.642 0.418 1.00 0.84 N ATOM 2102 CA ARG B 52 16.285 2.111 -0.572 1.00 0.98 C ATOM 2103 C ARG B 52 15.930 2.601 -1.898 1.00 1.11 C ATOM 2104 O ARG B 52 16.835 2.953 -2.688 1.00 1.27 O ATOM 2105 CB ARG B 52 16.191 0.584 -0.579 1.00 1.02 C ATOM 2106 CG ARG B 52 17.058 0.005 0.542 1.00 1.23 C ATOM 2107 CD ARG B 52 18.535 0.183 0.184 1.00 1.31 C ATOM 2108 NE ARG B 52 18.820 -0.545 -0.990 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.890 -1.350 -1.042 1.00 2.25 C ATOM 2110 NH1 ARG B 52 20.690 -1.476 0.026 1.00 2.15 N ATOM 2111 NH2 ARG B 52 20.161 -2.031 -2.164 1.00 3.07 N ATOM 0 H ARG B 52 14.891 1.940 0.933 1.00 0.84 H new ATOM 0 HA ARG B 52 17.300 2.430 -0.333 1.00 0.98 H new ATOM 0 HB2 ARG B 52 15.154 0.274 -0.446 1.00 1.02 H new ATOM 0 HB3 ARG B 52 16.519 0.195 -1.543 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.837 0.507 1.484 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.831 -1.052 0.683 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.760 1.239 0.035 1.00 1.31 H new ATOM 0 HD3 ARG B 52 19.164 -0.165 1.003 1.00 1.31 H new ATOM 0 HE ARG B 52 18.209 -0.458 -1.802 1.00 1.79 H new ATOM 0 HH11 ARG B 52 20.485 -0.959 0.881 1.00 2.15 H new ATOM 0 HH12 ARG B 52 21.504 -2.089 -0.016 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.553 -1.936 -2.977 1.00 3.07 H new ATOM 0 HH22 ARG B 52 20.975 -2.644 -2.204 1.00 3.07 H new ATOM 2125 N LYS B 53 14.649 2.690 -2.280 1.00 1.08 N ATOM 2126 CA LYS B 53 14.346 3.168 -3.573 1.00 1.25 C ATOM 2127 C LYS B 53 14.779 4.554 -3.753 1.00 1.35 C ATOM 2128 O LYS B 53 14.856 5.015 -4.911 1.00 1.57 O ATOM 2129 CB LYS B 53 12.841 3.110 -3.829 1.00 1.20 C ATOM 2130 CG LYS B 53 12.362 1.659 -3.870 1.00 1.31 C ATOM 2131 CD LYS B 53 10.945 1.646 -4.447 1.00 1.89 C ATOM 2132 CE LYS B 53 10.003 2.378 -3.494 1.00 2.23 C ATOM 2133 NZ LYS B 53 8.653 2.363 -4.051 1.00 2.62 N ATOM 0 H LYS B 53 13.845 2.436 -1.705 1.00 1.08 H new ATOM 0 HA LYS B 53 14.879 2.527 -4.275 1.00 1.25 H new ATOM 0 HB2 LYS B 53 12.311 3.652 -3.046 1.00 1.20 H new ATOM 0 HB3 LYS B 53 12.607 3.603 -4.772 1.00 1.20 H new ATOM 0 HG2 LYS B 53 13.029 1.054 -4.484 1.00 1.31 H new ATOM 0 HG3 LYS B 53 12.370 1.226 -2.870 1.00 1.31 H new ATOM 0 HD2 LYS B 53 10.935 2.125 -5.426 1.00 1.89 H new ATOM 0 HD3 LYS B 53 10.609 0.619 -4.591 1.00 1.89 H new ATOM 0 HE2 LYS B 53 10.011 1.898 -2.515 1.00 2.23 H new ATOM 0 HE3 LYS B 53 10.338 3.405 -3.349 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 8.027 2.946 -3.459 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 8.672 2.747 -5.017 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 8.298 1.386 -4.073 1.00 2.62 H new ATOM 2147 N GLU B 54 15.063 5.352 -2.713 1.00 1.24 N ATOM 2148 CA GLU B 54 15.432 6.690 -2.951 1.00 1.34 C ATOM 2149 C GLU B 54 16.883 6.823 -2.893 1.00 1.32 C ATOM 2150 O GLU B 54 17.473 7.549 -3.721 1.00 1.39 O ATOM 2151 CB GLU B 54 14.775 7.601 -1.912 1.00 1.34 C ATOM 2152 CG GLU B 54 13.287 7.263 -1.843 1.00 1.18 C ATOM 2153 CD GLU B 54 12.520 8.400 -1.345 1.00 1.29 C ATOM 2154 OE1 GLU B 54 12.450 9.443 -2.031 1.00 1.87 O ATOM 2155 OE2 GLU B 54 11.924 8.327 -0.249 1.00 1.61 O ATOM 0 H GLU B 54 15.036 5.071 -1.733 1.00 1.24 H new ATOM 0 HA GLU B 54 15.092 6.985 -3.944 1.00 1.34 H new ATOM 0 HB2 GLU B 54 15.241 7.461 -0.937 1.00 1.34 H new ATOM 0 HB3 GLU B 54 14.914 8.647 -2.184 1.00 1.34 H new ATOM 0 HG2 GLU B 54 12.927 6.981 -2.833 1.00 1.18 H new ATOM 0 HG3 GLU B 54 13.135 6.402 -1.192 1.00 1.18 H new ATOM 2162 N GLN B 55 17.600 6.155 -1.979 1.00 1.24 N ATOM 2163 CA GLN B 55 19.002 6.313 -1.928 1.00 1.27 C ATOM 2164 C GLN B 55 19.660 5.606 -3.028 1.00 1.34 C ATOM 2165 O GLN B 55 20.902 5.683 -3.141 1.00 1.42 O ATOM 2166 CB GLN B 55 19.525 5.827 -0.571 1.00 1.22 C ATOM 2167 CG GLN B 55 19.325 4.319 -0.412 1.00 1.35 C ATOM 2168 CD GLN B 55 20.334 3.601 -1.185 1.00 2.14 C ATOM 2169 OE1 GLN B 55 19.988 2.785 -2.066 1.00 2.60 O ATOM 2170 NE2 GLN B 55 21.635 3.813 -0.942 1.00 2.89 N ATOM 0 H GLN B 55 17.210 5.515 -1.287 1.00 1.24 H new ATOM 0 HA GLN B 55 19.237 7.371 -2.041 1.00 1.27 H new ATOM 0 HB2 GLN B 55 20.584 6.068 -0.478 1.00 1.22 H new ATOM 0 HB3 GLN B 55 19.007 6.352 0.231 1.00 1.22 H new ATOM 0 HG2 GLN B 55 19.395 4.043 0.640 1.00 1.35 H new ATOM 0 HG3 GLN B 55 18.327 4.038 -0.749 1.00 1.35 H new ATOM 0 HE21 GLN B 55 21.918 4.479 -0.223 1.00 2.89 H new ATOM 0 HE22 GLN B 55 22.342 3.308 -1.476 1.00 2.89 H new ATOM 2179 N GLN B 56 18.958 4.875 -3.909 1.00 1.34 N ATOM 2180 CA GLN B 56 19.612 4.206 -4.963 1.00 1.42 C ATOM 2181 C GLN B 56 19.975 5.108 -6.055 1.00 1.55 C ATOM 2182 O GLN B 56 21.145 5.090 -6.494 1.00 1.60 O ATOM 2183 CB GLN B 56 18.649 3.158 -5.528 1.00 1.47 C ATOM 2184 CG GLN B 56 19.335 2.395 -6.662 1.00 1.65 C ATOM 2185 CD GLN B 56 20.399 1.558 -6.115 1.00 1.83 C ATOM 2186 OE1 GLN B 56 21.329 2.076 -5.461 1.00 2.40 O ATOM 2187 NE2 GLN B 56 20.375 0.233 -6.311 1.00 2.08 N ATOM 0 H GLN B 56 17.946 4.754 -3.884 1.00 1.34 H new ATOM 0 HA GLN B 56 20.526 3.765 -4.565 1.00 1.42 H new ATOM 0 HB2 GLN B 56 18.345 2.467 -4.742 1.00 1.47 H new ATOM 0 HB3 GLN B 56 17.744 3.641 -5.896 1.00 1.47 H new ATOM 0 HG2 GLN B 56 18.608 1.778 -7.191 1.00 1.65 H new ATOM 0 HG3 GLN B 56 19.747 3.096 -7.389 1.00 1.65 H new ATOM 0 HE21 GLN B 56 19.616 -0.190 -6.845 1.00 2.08 H new ATOM 0 HE22 GLN B 56 21.116 -0.353 -5.926 1.00 2.08 H new ATOM 2196 N ILE B 57 19.080 5.942 -6.608 1.00 1.64 N ATOM 2197 CA ILE B 57 19.476 6.739 -7.704 1.00 1.81 C ATOM 2198 C ILE B 57 19.691 8.136 -7.328 1.00 1.89 C ATOM 2199 O ILE B 57 20.260 8.894 -8.142 1.00 2.07 O ATOM 2200 CB ILE B 57 18.462 6.640 -8.847 1.00 1.88 C ATOM 2201 CG1 ILE B 57 17.317 7.630 -8.631 1.00 2.08 C ATOM 2202 CG2 ILE B 57 17.909 5.214 -8.899 1.00 1.87 C ATOM 2203 CD1 ILE B 57 17.767 9.007 -9.126 1.00 2.66 C ATOM 0 H ILE B 57 18.114 6.058 -6.303 1.00 1.64 H new ATOM 0 HA ILE B 57 20.433 6.347 -8.049 1.00 1.81 H new ATOM 0 HB ILE B 57 18.956 6.882 -9.788 1.00 1.88 H new ATOM 0 HG12 ILE B 57 16.428 7.305 -9.171 1.00 2.08 H new ATOM 0 HG13 ILE B 57 17.049 7.676 -7.575 1.00 2.08 H new ATOM 0 HG21 ILE B 57 17.186 5.134 -9.710 1.00 1.87 H new ATOM 0 HG22 ILE B 57 18.726 4.513 -9.070 1.00 1.87 H new ATOM 0 HG23 ILE B 57 17.421 4.978 -7.953 1.00 1.87 H new ATOM 0 HD11 ILE B 57 16.962 9.727 -8.980 1.00 2.66 H new ATOM 0 HD12 ILE B 57 18.646 9.326 -8.565 1.00 2.66 H new ATOM 0 HD13 ILE B 57 18.014 8.950 -10.186 1.00 2.66 H new ATOM 2215 N GLY B 58 19.265 8.637 -6.157 1.00 1.79 N ATOM 2216 CA GLY B 58 19.449 10.016 -5.903 1.00 1.90 C ATOM 2217 C GLY B 58 18.181 10.675 -5.587 1.00 1.88 C ATOM 2218 O GLY B 58 17.905 11.786 -6.090 1.00 1.99 O ATOM 0 H GLY B 58 18.810 8.105 -5.415 1.00 1.79 H new ATOM 0 HA2 GLY B 58 20.144 10.145 -5.074 1.00 1.90 H new ATOM 0 HA3 GLY B 58 19.900 10.491 -6.774 1.00 1.90 H new ATOM 2222 N TRP B 59 17.327 10.047 -4.767 1.00 1.76 N ATOM 2223 CA TRP B 59 16.105 10.594 -4.310 1.00 1.74 C ATOM 2224 C TRP B 59 15.119 10.833 -5.363 1.00 1.83 C ATOM 2225 O TRP B 59 14.547 11.942 -5.435 1.00 1.90 O ATOM 2226 CB TRP B 59 16.375 11.896 -3.550 1.00 1.80 C ATOM 2227 CG TRP B 59 15.128 12.388 -2.972 1.00 2.05 C ATOM 2228 CD1 TRP B 59 14.485 11.884 -1.845 1.00 2.09 C ATOM 2229 CD2 TRP B 59 14.372 13.470 -3.395 1.00 2.50 C ATOM 2230 NE1 TRP B 59 13.383 12.618 -1.607 1.00 2.57 N ATOM 2231 CE2 TRP B 59 13.300 13.583 -2.535 1.00 2.86 C ATOM 2232 CE3 TRP B 59 14.554 14.345 -4.456 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 12.350 14.579 -2.696 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 13.605 15.351 -4.627 1.00 3.32 C ATOM 2235 CH2 TRP B 59 12.517 15.466 -3.759 1.00 3.70 C ATOM 0 H TRP B 59 17.503 9.109 -4.407 1.00 1.76 H new ATOM 0 HA TRP B 59 15.666 9.842 -3.654 1.00 1.74 H new ATOM 0 HB2 TRP B 59 17.110 11.725 -2.764 1.00 1.80 H new ATOM 0 HB3 TRP B 59 16.796 12.643 -4.224 1.00 1.80 H new ATOM 0 HD1 TRP B 59 14.817 11.041 -1.257 1.00 2.09 H new ATOM 0 HE1 TRP B 59 12.720 12.466 -0.847 1.00 2.57 H new ATOM 0 HE3 TRP B 59 15.398 14.250 -5.123 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 11.510 14.665 -2.022 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 13.712 16.051 -5.442 1.00 3.32 H new ATOM 0 HH2 TRP B 59 11.794 16.254 -3.913 1.00 3.70 H new ATOM 2246 N SER B 60 14.809 9.869 -6.241 1.00 1.88 N ATOM 2247 CA SER B 60 13.789 10.080 -7.195 1.00 1.98 C ATOM 2248 C SER B 60 12.928 8.900 -7.254 1.00 1.92 C ATOM 2249 O SER B 60 12.038 8.849 -8.130 1.00 1.97 O ATOM 2250 CB SER B 60 14.395 10.317 -8.579 1.00 2.09 C ATOM 2251 OG SER B 60 15.271 11.435 -8.535 1.00 2.16 O ATOM 0 H SER B 60 15.262 8.956 -6.286 1.00 1.88 H new ATOM 0 HA SER B 60 13.211 10.956 -6.900 1.00 1.98 H new ATOM 0 HB2 SER B 60 14.938 9.430 -8.905 1.00 2.09 H new ATOM 0 HB3 SER B 60 13.604 10.492 -9.308 1.00 2.09 H new ATOM 0 HG SER B 60 15.658 11.582 -9.423 1.00 2.16 H new ATOM 2257 N HIS B 61 13.113 7.903 -6.369 1.00 1.87 N ATOM 2258 CA HIS B 61 12.371 6.693 -6.349 1.00 1.91 C ATOM 2259 C HIS B 61 11.766 6.261 -7.611 1.00 1.97 C ATOM 2260 O HIS B 61 10.522 6.144 -7.697 1.00 2.60 O ATOM 2261 CB HIS B 61 11.323 6.732 -5.232 1.00 2.75 C ATOM 2262 CG HIS B 61 10.529 7.955 -5.280 1.00 3.15 C ATOM 2263 ND1 HIS B 61 10.683 9.020 -4.479 1.00 4.13 N ATOM 2264 CD2 HIS B 61 9.501 8.247 -6.166 1.00 3.11 C ATOM 2265 CE1 HIS B 61 9.783 9.946 -4.840 1.00 4.69 C ATOM 2266 NE2 HIS B 61 9.061 9.477 -5.869 1.00 4.06 N ATOM 0 H HIS B 61 13.817 7.950 -5.633 1.00 1.87 H new ATOM 0 HA HIS B 61 13.124 5.929 -6.157 1.00 1.91 H new ATOM 0 HB2 HIS B 61 10.665 5.867 -5.320 1.00 2.75 H new ATOM 0 HB3 HIS B 61 11.819 6.658 -4.264 1.00 2.75 H new ATOM 0 HD1 HIS B 61 11.366 9.110 -3.727 1.00 4.13 H new ATOM 0 HD2 HIS B 61 9.126 7.603 -6.948 1.00 3.11 H new ATOM 0 HE1 HIS B 61 9.659 10.914 -4.377 1.00 4.69 H new ATOM 2275 N PRO B 62 12.536 5.938 -8.664 1.00 1.93 N ATOM 2276 CA PRO B 62 12.011 5.410 -9.865 1.00 2.45 C ATOM 2277 C PRO B 62 11.955 3.980 -9.782 1.00 2.06 C ATOM 2278 O PRO B 62 11.694 3.319 -10.773 1.00 2.31 O ATOM 2279 CB PRO B 62 13.080 5.777 -10.888 1.00 3.15 C ATOM 2280 CG PRO B 62 14.359 5.619 -10.068 1.00 2.98 C ATOM 2281 CD PRO B 62 13.958 6.096 -8.669 1.00 2.10 C ATOM 0 HA PRO B 62 11.012 5.780 -10.094 1.00 2.45 H new ATOM 0 HB2 PRO B 62 13.064 5.114 -11.753 1.00 3.15 H new ATOM 0 HB3 PRO B 62 12.957 6.793 -11.263 1.00 3.15 H new ATOM 0 HG2 PRO B 62 14.700 4.584 -10.055 1.00 2.98 H new ATOM 0 HG3 PRO B 62 15.173 6.218 -10.477 1.00 2.98 H new ATOM 0 HD2 PRO B 62 14.432 5.500 -7.889 1.00 2.10 H new ATOM 0 HD3 PRO B 62 14.248 7.133 -8.499 1.00 2.10 H new ATOM 2289 N GLN B 63 12.216 3.385 -8.644 1.00 1.69 N ATOM 2290 CA GLN B 63 12.243 1.983 -8.513 1.00 1.51 C ATOM 2291 C GLN B 63 10.933 1.444 -8.145 1.00 1.56 C ATOM 2292 O GLN B 63 10.880 0.270 -7.721 1.00 1.92 O ATOM 2293 CB GLN B 63 13.239 1.651 -7.400 1.00 1.70 C ATOM 2294 CG GLN B 63 14.636 2.157 -7.767 1.00 2.04 C ATOM 2295 CD GLN B 63 15.133 1.456 -8.947 1.00 2.56 C ATOM 2296 OE1 GLN B 63 15.420 2.097 -9.982 1.00 3.20 O ATOM 2297 NE2 GLN B 63 15.303 0.128 -8.914 1.00 2.72 N ATOM 0 H GLN B 63 12.417 3.887 -7.779 1.00 1.69 H new ATOM 0 HA GLN B 63 12.527 1.541 -9.468 1.00 1.51 H new ATOM 0 HB2 GLN B 63 12.914 2.107 -6.465 1.00 1.70 H new ATOM 0 HB3 GLN B 63 13.266 0.574 -7.237 1.00 1.70 H new ATOM 0 HG2 GLN B 63 14.603 3.229 -7.959 1.00 2.04 H new ATOM 0 HG3 GLN B 63 15.318 2.004 -6.930 1.00 2.04 H new ATOM 0 HE21 GLN B 63 15.069 -0.395 -8.070 1.00 2.72 H new ATOM 0 HE22 GLN B 63 15.666 -0.360 -9.733 1.00 2.72 H new ATOM 2306 N PHE B 64 9.819 2.190 -8.229 1.00 1.50 N ATOM 2307 CA PHE B 64 8.545 1.715 -7.825 1.00 1.63 C ATOM 2308 C PHE B 64 8.252 0.332 -8.223 1.00 1.91 C ATOM 2309 O PHE B 64 7.805 -0.449 -7.354 1.00 2.60 O ATOM 2310 CB PHE B 64 7.488 2.692 -8.357 1.00 1.89 C ATOM 2311 CG PHE B 64 7.533 2.786 -9.815 1.00 3.00 C ATOM 2312 CD1 PHE B 64 8.532 3.534 -10.425 1.00 3.73 C ATOM 2313 CD2 PHE B 64 6.550 2.187 -10.593 1.00 3.61 C ATOM 2314 CE1 PHE B 64 8.574 3.646 -11.810 1.00 4.94 C ATOM 2315 CE2 PHE B 64 6.590 2.296 -11.978 1.00 4.84 C ATOM 2316 CZ PHE B 64 7.607 3.021 -12.588 1.00 5.47 C ATOM 0 H PHE B 64 9.809 3.145 -8.587 1.00 1.50 H new ATOM 0 HA PHE B 64 8.533 1.679 -6.736 1.00 1.63 H new ATOM 0 HB2 PHE B 64 6.497 2.365 -8.043 1.00 1.89 H new ATOM 0 HB3 PHE B 64 7.651 3.678 -7.922 1.00 1.89 H new ATOM 0 HD1 PHE B 64 9.278 4.030 -9.822 1.00 3.73 H new ATOM 0 HD2 PHE B 64 5.752 1.635 -10.120 1.00 3.61 H new ATOM 0 HE1 PHE B 64 9.359 4.219 -12.282 1.00 4.94 H new ATOM 0 HE2 PHE B 64 5.831 1.818 -12.580 1.00 4.84 H new ATOM 0 HZ PHE B 64 7.646 3.098 -13.665 1.00 5.47 H new ATOM 2326 N GLU B 65 8.458 -0.142 -9.461 1.00 2.14 N ATOM 2327 CA GLU B 65 8.243 -1.517 -9.722 1.00 2.99 C ATOM 2328 C GLU B 65 9.493 -2.126 -10.162 1.00 3.60 C ATOM 2329 O GLU B 65 9.486 -2.944 -11.107 1.00 4.49 O ATOM 2330 CB GLU B 65 7.177 -1.776 -10.790 1.00 3.51 C ATOM 2331 CG GLU B 65 5.792 -1.371 -10.286 1.00 3.70 C ATOM 2332 CD GLU B 65 4.808 -1.653 -11.326 1.00 4.67 C ATOM 2333 OE1 GLU B 65 4.930 -1.139 -12.459 1.00 5.13 O ATOM 2334 OE2 GLU B 65 3.847 -2.416 -11.085 1.00 5.30 O ATOM 0 H GLU B 65 8.765 0.414 -10.259 1.00 2.14 H new ATOM 0 HA GLU B 65 7.886 -1.956 -8.791 1.00 2.99 H new ATOM 0 HB2 GLU B 65 7.418 -1.216 -11.694 1.00 3.51 H new ATOM 0 HB3 GLU B 65 7.176 -2.832 -11.060 1.00 3.51 H new ATOM 0 HG2 GLU B 65 5.547 -1.920 -9.377 1.00 3.70 H new ATOM 0 HG3 GLU B 65 5.779 -0.311 -10.032 1.00 3.70 H new ATOM 2341 N LYS B 66 10.649 -1.774 -9.585 1.00 3.37 N ATOM 2342 CA LYS B 66 11.865 -2.332 -10.024 1.00 4.26 C ATOM 2343 C LYS B 66 12.563 -2.916 -8.883 1.00 5.05 C ATOM 2344 O LYS B 66 13.687 -2.480 -8.548 1.00 5.15 O ATOM 2345 CB LYS B 66 12.718 -1.223 -10.639 1.00 4.08 C ATOM 2346 CG LYS B 66 11.998 -0.661 -11.867 1.00 3.92 C ATOM 2347 CD LYS B 66 12.840 0.442 -12.513 1.00 4.31 C ATOM 2348 CE LYS B 66 12.091 0.993 -13.729 1.00 4.82 C ATOM 2349 NZ LYS B 66 12.888 2.037 -14.372 1.00 5.28 N ATOM 2350 OXT LYS B 66 12.037 -3.847 -8.237 1.00 5.88 O ATOM 0 H LYS B 66 10.733 -1.106 -8.819 1.00 3.37 H new ATOM 0 HA LYS B 66 11.679 -3.108 -10.767 1.00 4.26 H new ATOM 0 HB2 LYS B 66 12.890 -0.432 -9.909 1.00 4.08 H new ATOM 0 HB3 LYS B 66 13.696 -1.613 -10.922 1.00 4.08 H new ATOM 0 HG2 LYS B 66 11.815 -1.458 -12.587 1.00 3.92 H new ATOM 0 HG3 LYS B 66 11.025 -0.264 -11.577 1.00 3.92 H new ATOM 0 HD2 LYS B 66 13.030 1.240 -11.795 1.00 4.31 H new ATOM 0 HD3 LYS B 66 13.810 0.047 -12.815 1.00 4.31 H new ATOM 0 HE2 LYS B 66 11.888 0.190 -14.437 1.00 4.82 H new ATOM 0 HE3 LYS B 66 11.127 1.397 -13.421 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 12.374 2.407 -15.197 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 13.060 2.809 -13.696 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 13.798 1.639 -14.681 1.00 5.28 H new TER 2364 LYS B 66