USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=26 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 Set 1.1: B 56 GLN : amide:sc= 0.43 K(o=0.12,f=-6.3!) USER MOD Set 1.2: B 63 GLN : amide:sc= -0.31 K(o=0.12,f=-4.1!) USER MOD Set 2.1: B 53 LYS NZ :NH3+ 179:sc= 2.13 (180deg=2.12) USER MOD Set 2.2: B 61 HIS : no HE2:sc= -1.85! C(o=0.29!,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 139:sc= -0.355 (180deg=-2.19!) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.118 (180deg=-0.737) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= -0.0724 (180deg=-0.698) USER MOD Single : A 7 THR OG1 : rot 66:sc= 0.2 USER MOD Single : A 10 SER OG : rot -172:sc= 0.433 USER MOD Single : A 13 GLN : amide:sc= 0.544 K(o=0.54,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= -4! (180deg=-6.99!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 124:sc= 0.731 USER MOD Single : A 34 TYR OH : rot 50:sc= 0 USER MOD Single : A 36 SER OG : rot -51:sc= -0.309 USER MOD Single : A 37 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.23) USER MOD Single : A 42 ASN : amide:sc= -0.773 K(o=-0.77,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.14) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 2.2 (180deg=2.18) USER MOD Single : A 55 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.24) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.58! C(o=-1.6!,f=-6.2!) USER MOD Single : A 63 GLN : amide:sc= -2.23! C(o=-2.2!,f=-6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 148:sc= -0.469 (180deg=-2.26!) USER MOD Single : B 1 MET N :NH3+ -154:sc= -0.133 (180deg=-0.809) USER MOD Single : B 3 LYS NZ :NH3+ -156:sc= -0.0792 (180deg=-0.714) USER MOD Single : B 7 THR OG1 : rot 65:sc= 0.158 USER MOD Single : B 10 SER OG : rot -171:sc= 0.594 USER MOD Single : B 13 GLN : amide:sc= 0.54 K(o=0.54,f=-3.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 148:sc= -3.37! (180deg=-7.14!) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 123:sc= 0.974 USER MOD Single : B 34 TYR OH : rot 50:sc= -0.024 USER MOD Single : B 36 SER OG : rot -53:sc= -0.563 USER MOD Single : B 37 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.23) USER MOD Single : B 42 ASN : amide:sc= -0.773 K(o=-0.77,f=-1.4) USER MOD Single : B 45 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.23) USER MOD Single : B 55 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.19) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.414 -15.309 6.870 1.00 4.10 N ATOM 2 CA MET A 1 -9.884 -14.560 5.732 1.00 3.64 C ATOM 3 C MET A 1 -8.640 -13.911 6.137 1.00 3.20 C ATOM 4 O MET A 1 -8.667 -12.992 6.985 1.00 3.61 O ATOM 5 CB MET A 1 -10.908 -13.501 5.316 1.00 4.44 C ATOM 6 CG MET A 1 -12.175 -14.195 4.810 1.00 5.32 C ATOM 7 SD MET A 1 -13.444 -12.969 4.453 1.00 5.98 S ATOM 8 CE MET A 1 -12.514 -12.294 3.069 1.00 6.70 C ATOM 0 H1 MET A 1 -11.030 -16.073 6.526 1.00 4.10 H new ATOM 0 H2 MET A 1 -9.627 -15.717 7.414 1.00 4.10 H new ATOM 0 H3 MET A 1 -10.963 -14.671 7.481 1.00 4.10 H new ATOM 0 HA MET A 1 -9.692 -15.228 4.892 1.00 3.64 H new ATOM 0 HB2 MET A 1 -11.146 -12.856 6.162 1.00 4.44 H new ATOM 0 HB3 MET A 1 -10.492 -12.863 4.536 1.00 4.44 H new ATOM 0 HG2 MET A 1 -11.951 -14.771 3.912 1.00 5.32 H new ATOM 0 HG3 MET A 1 -12.538 -14.899 5.558 1.00 5.32 H new ATOM 0 HE1 MET A 1 -13.194 -12.077 2.245 1.00 6.70 H new ATOM 0 HE2 MET A 1 -12.015 -11.376 3.379 1.00 6.70 H new ATOM 0 HE3 MET A 1 -11.769 -13.020 2.743 1.00 6.70 H new ATOM 20 N GLU A 2 -7.469 -14.317 5.627 1.00 2.52 N ATOM 21 CA GLU A 2 -6.267 -13.701 6.036 1.00 2.21 C ATOM 22 C GLU A 2 -5.615 -13.045 4.908 1.00 1.84 C ATOM 23 O GLU A 2 -5.242 -11.855 5.005 1.00 1.98 O ATOM 24 CB GLU A 2 -5.326 -14.766 6.601 1.00 2.47 C ATOM 25 CG GLU A 2 -4.040 -14.097 7.090 1.00 2.84 C ATOM 26 CD GLU A 2 -3.149 -15.105 7.655 1.00 3.40 C ATOM 27 OE1 GLU A 2 -3.535 -15.816 8.609 1.00 3.98 O ATOM 28 OE2 GLU A 2 -2.002 -15.262 7.184 1.00 3.74 O ATOM 0 H GLU A 2 -7.362 -15.063 4.940 1.00 2.52 H new ATOM 0 HA GLU A 2 -6.497 -12.953 6.795 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -5.809 -15.296 7.422 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -5.096 -15.507 5.836 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -3.548 -13.584 6.264 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -4.274 -13.342 7.840 1.00 2.84 H new ATOM 35 N LYS A 3 -5.444 -13.711 3.758 1.00 1.84 N ATOM 36 CA LYS A 3 -4.755 -13.104 2.690 1.00 1.95 C ATOM 37 C LYS A 3 -5.696 -12.739 1.639 1.00 1.67 C ATOM 38 O LYS A 3 -6.914 -12.961 1.803 1.00 1.92 O ATOM 39 CB LYS A 3 -3.721 -14.088 2.139 1.00 2.60 C ATOM 40 CG LYS A 3 -2.761 -14.499 3.257 1.00 3.26 C ATOM 41 CD LYS A 3 -2.016 -13.268 3.775 1.00 3.92 C ATOM 42 CE LYS A 3 -1.123 -12.707 2.667 1.00 4.14 C ATOM 43 NZ LYS A 3 -0.116 -13.702 2.302 1.00 4.84 N ATOM 0 H LYS A 3 -5.781 -14.657 3.577 1.00 1.84 H new ATOM 0 HA LYS A 3 -4.253 -12.203 3.043 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -4.221 -14.967 1.733 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -3.167 -13.629 1.320 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -3.314 -14.970 4.070 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -2.050 -15.237 2.886 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -2.728 -12.510 4.101 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -1.413 -13.534 4.643 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -1.725 -12.447 1.796 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -0.639 -11.791 3.005 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 0.700 -13.227 1.866 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 0.195 -14.210 3.154 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -0.525 -14.378 1.626 1.00 4.84 H new ATOM 57 N ARG A 4 -5.236 -12.170 0.515 1.00 1.50 N ATOM 58 CA ARG A 4 -6.103 -11.729 -0.510 1.00 1.29 C ATOM 59 C ARG A 4 -6.910 -12.832 -1.029 1.00 1.50 C ATOM 60 O ARG A 4 -6.338 -13.761 -1.640 1.00 1.81 O ATOM 61 CB ARG A 4 -5.246 -11.182 -1.652 1.00 1.45 C ATOM 62 CG ARG A 4 -6.133 -10.632 -2.772 1.00 1.70 C ATOM 63 CD ARG A 4 -5.245 -10.261 -3.961 1.00 2.73 C ATOM 64 NE ARG A 4 -4.623 -11.431 -4.445 1.00 3.33 N ATOM 65 CZ ARG A 4 -3.287 -11.504 -4.534 1.00 4.45 C ATOM 66 NH1 ARG A 4 -2.528 -10.463 -4.169 1.00 5.09 N ATOM 67 NH2 ARG A 4 -2.709 -12.625 -4.988 1.00 5.20 N ATOM 0 H ARG A 4 -4.246 -12.017 0.321 1.00 1.50 H new ATOM 0 HA ARG A 4 -6.771 -10.968 -0.106 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -4.592 -10.394 -1.278 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -4.604 -11.971 -2.043 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -6.872 -11.376 -3.069 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -6.683 -9.758 -2.424 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -5.841 -9.797 -4.747 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -4.494 -9.532 -3.658 1.00 2.73 H new ATOM 0 HE ARG A 4 -5.194 -12.227 -4.729 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -2.966 -9.610 -3.821 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -1.512 -10.523 -4.238 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -3.285 -13.420 -5.265 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -1.693 -12.683 -5.057 1.00 5.20 H new ATOM 81 N PRO A 5 -8.235 -12.884 -0.813 1.00 1.56 N ATOM 82 CA PRO A 5 -9.053 -13.914 -1.324 1.00 1.84 C ATOM 83 C PRO A 5 -9.213 -13.749 -2.737 1.00 1.57 C ATOM 84 O PRO A 5 -8.672 -12.817 -3.310 1.00 1.86 O ATOM 85 CB PRO A 5 -10.403 -13.728 -0.630 1.00 2.15 C ATOM 86 CG PRO A 5 -10.118 -12.736 0.499 1.00 2.06 C ATOM 87 CD PRO A 5 -8.962 -11.914 -0.064 1.00 1.65 C ATOM 0 HA PRO A 5 -8.629 -14.903 -1.149 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -11.154 -13.341 -1.319 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -10.784 -14.673 -0.242 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -10.986 -12.115 0.722 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -9.842 -13.243 1.424 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -9.313 -11.095 -0.692 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -8.355 -11.472 0.726 1.00 1.65 H new ATOM 95 N ARG A 6 -9.960 -14.581 -3.417 1.00 1.20 N ATOM 96 CA ARG A 6 -10.083 -14.444 -4.816 1.00 1.13 C ATOM 97 C ARG A 6 -10.536 -13.102 -5.181 1.00 1.07 C ATOM 98 O ARG A 6 -11.701 -12.743 -4.906 1.00 1.44 O ATOM 99 CB ARG A 6 -11.102 -15.457 -5.341 1.00 1.21 C ATOM 100 CG ARG A 6 -10.577 -16.884 -5.168 1.00 1.55 C ATOM 101 CD ARG A 6 -10.479 -17.231 -3.681 1.00 1.87 C ATOM 102 NE ARG A 6 -11.756 -17.142 -3.090 1.00 2.69 N ATOM 103 CZ ARG A 6 -11.909 -17.377 -1.779 1.00 3.24 C ATOM 104 NH1 ARG A 6 -10.850 -17.707 -1.027 1.00 3.20 N ATOM 105 NH2 ARG A 6 -13.123 -17.284 -1.219 1.00 4.22 N ATOM 0 H ARG A 6 -10.486 -15.355 -3.010 1.00 1.20 H new ATOM 0 HA ARG A 6 -9.101 -14.619 -5.256 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -12.045 -15.343 -4.807 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -11.307 -15.264 -6.394 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -11.241 -17.588 -5.671 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -9.598 -16.979 -5.637 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -10.079 -18.238 -3.558 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -9.788 -16.550 -3.183 1.00 1.87 H new ATOM 0 HE ARG A 6 -12.565 -16.898 -3.661 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -9.926 -17.780 -1.452 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -10.968 -17.885 -0.030 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -13.930 -17.034 -1.790 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -13.240 -17.463 -0.222 1.00 4.22 H new ATOM 119 N THR A 7 -9.674 -12.293 -5.821 1.00 0.98 N ATOM 120 CA THR A 7 -9.994 -10.998 -6.295 1.00 0.88 C ATOM 121 C THR A 7 -10.884 -10.213 -5.438 1.00 0.88 C ATOM 122 O THR A 7 -11.915 -9.713 -5.939 1.00 0.89 O ATOM 123 CB THR A 7 -10.611 -11.107 -7.691 1.00 0.87 C ATOM 124 OG1 THR A 7 -11.813 -11.860 -7.632 1.00 0.95 O ATOM 125 CG2 THR A 7 -9.617 -11.793 -8.631 1.00 0.90 C ATOM 0 H THR A 7 -8.709 -12.562 -6.013 1.00 0.98 H new ATOM 0 HA THR A 7 -9.048 -10.456 -6.305 1.00 0.88 H new ATOM 0 HB THR A 7 -10.838 -10.108 -8.065 1.00 0.87 H new ATOM 0 HG1 THR A 7 -12.479 -11.372 -7.104 1.00 0.95 H new ATOM 0 HG21 THR A 7 -10.053 -11.872 -9.627 1.00 0.90 H new ATOM 0 HG22 THR A 7 -8.700 -11.206 -8.682 1.00 0.90 H new ATOM 0 HG23 THR A 7 -9.389 -12.790 -8.254 1.00 0.90 H new ATOM 133 N GLU A 8 -10.614 -9.986 -4.144 1.00 0.91 N ATOM 134 CA GLU A 8 -11.501 -9.174 -3.403 1.00 0.98 C ATOM 135 C GLU A 8 -10.824 -8.493 -2.301 1.00 0.96 C ATOM 136 O GLU A 8 -11.526 -7.999 -1.396 1.00 1.30 O ATOM 137 CB GLU A 8 -12.699 -9.975 -2.892 1.00 1.20 C ATOM 138 CG GLU A 8 -12.244 -11.067 -1.930 1.00 1.29 C ATOM 139 CD GLU A 8 -13.415 -11.825 -1.497 1.00 1.75 C ATOM 140 OE1 GLU A 8 -14.337 -11.249 -0.879 1.00 2.27 O ATOM 141 OE2 GLU A 8 -13.505 -13.045 -1.754 1.00 2.22 O ATOM 0 H GLU A 8 -9.811 -10.352 -3.632 1.00 0.91 H new ATOM 0 HA GLU A 8 -11.873 -8.409 -4.084 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -13.401 -9.309 -2.389 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -13.230 -10.422 -3.733 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -11.526 -11.726 -2.418 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -11.739 -10.627 -1.070 1.00 1.29 H new ATOM 148 N PHE A 9 -9.481 -8.405 -2.309 1.00 0.75 N ATOM 149 CA PHE A 9 -8.686 -7.667 -1.389 1.00 0.68 C ATOM 150 C PHE A 9 -8.876 -7.925 0.044 1.00 0.81 C ATOM 151 O PHE A 9 -9.977 -7.764 0.611 1.00 0.93 O ATOM 152 CB PHE A 9 -8.749 -6.151 -1.653 1.00 0.55 C ATOM 153 CG PHE A 9 -10.081 -5.567 -1.529 1.00 0.57 C ATOM 154 CD1 PHE A 9 -10.652 -5.375 -0.277 1.00 0.87 C ATOM 155 CD2 PHE A 9 -10.796 -5.229 -2.673 1.00 0.82 C ATOM 156 CE1 PHE A 9 -11.925 -4.828 -0.167 1.00 0.92 C ATOM 157 CE2 PHE A 9 -12.068 -4.683 -2.565 1.00 0.89 C ATOM 158 CZ PHE A 9 -12.632 -4.478 -1.311 1.00 0.72 C ATOM 0 H PHE A 9 -8.917 -8.885 -3.010 1.00 0.75 H new ATOM 0 HA PHE A 9 -7.693 -8.062 -1.604 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.079 -5.646 -0.957 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.373 -5.954 -2.657 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -10.106 -5.651 0.613 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -10.361 -5.392 -3.648 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -12.365 -4.675 0.808 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -12.619 -4.418 -3.455 1.00 0.89 H new ATOM 0 HZ PHE A 9 -13.619 -4.047 -1.226 1.00 0.72 H new ATOM 168 N SER A 10 -7.791 -8.257 0.764 1.00 0.92 N ATOM 169 CA SER A 10 -7.841 -8.404 2.170 1.00 1.07 C ATOM 170 C SER A 10 -7.283 -7.191 2.760 1.00 0.95 C ATOM 171 O SER A 10 -6.947 -6.258 2.001 1.00 0.79 O ATOM 172 CB SER A 10 -6.989 -9.595 2.612 1.00 1.27 C ATOM 173 OG SER A 10 -7.122 -9.784 4.014 1.00 1.65 O ATOM 0 H SER A 10 -6.870 -8.424 0.358 1.00 0.92 H new ATOM 0 HA SER A 10 -8.871 -8.569 2.488 1.00 1.07 H new ATOM 0 HB2 SER A 10 -7.302 -10.495 2.083 1.00 1.27 H new ATOM 0 HB3 SER A 10 -5.944 -9.422 2.356 1.00 1.27 H new ATOM 0 HG SER A 10 -6.481 -10.461 4.315 1.00 1.65 H new ATOM 179 N GLU A 11 -7.087 -7.078 4.083 1.00 1.08 N ATOM 180 CA GLU A 11 -6.546 -5.887 4.625 1.00 1.08 C ATOM 181 C GLU A 11 -5.185 -5.651 4.151 1.00 0.96 C ATOM 182 O GLU A 11 -4.721 -4.490 4.151 1.00 0.94 O ATOM 183 CB GLU A 11 -6.540 -5.966 6.153 1.00 1.26 C ATOM 184 CG GLU A 11 -5.667 -7.138 6.610 1.00 1.21 C ATOM 185 CD GLU A 11 -5.647 -7.170 8.069 1.00 1.81 C ATOM 186 OE1 GLU A 11 -6.720 -7.227 8.707 1.00 2.29 O ATOM 187 OE2 GLU A 11 -4.560 -7.112 8.684 1.00 2.60 O ATOM 0 H GLU A 11 -7.302 -7.805 4.766 1.00 1.08 H new ATOM 0 HA GLU A 11 -7.173 -5.059 4.295 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -6.162 -5.034 6.573 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -7.557 -6.093 6.523 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -6.059 -8.076 6.217 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -4.655 -7.028 6.221 1.00 1.21 H new ATOM 194 N GLU A 12 -4.451 -6.674 3.695 1.00 0.93 N ATOM 195 CA GLU A 12 -3.155 -6.484 3.178 1.00 0.82 C ATOM 196 C GLU A 12 -3.223 -5.666 1.971 1.00 0.71 C ATOM 197 O GLU A 12 -2.356 -4.796 1.738 1.00 0.70 O ATOM 198 CB GLU A 12 -2.609 -7.857 2.790 1.00 0.85 C ATOM 199 CG GLU A 12 -1.231 -7.693 2.149 1.00 1.17 C ATOM 200 CD GLU A 12 -0.753 -9.005 1.730 1.00 2.13 C ATOM 201 OE1 GLU A 12 -1.435 -9.682 0.931 1.00 2.73 O ATOM 202 OE2 GLU A 12 0.339 -9.436 2.156 1.00 2.46 O ATOM 0 H GLU A 12 -4.769 -7.643 3.688 1.00 0.93 H new ATOM 0 HA GLU A 12 -2.523 -5.993 3.918 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -2.539 -8.495 3.671 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -3.290 -8.348 2.094 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -1.290 -7.021 1.293 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -0.535 -7.246 2.858 1.00 1.17 H new ATOM 209 N GLN A 13 -4.233 -5.887 1.120 1.00 0.67 N ATOM 210 CA GLN A 13 -4.347 -5.197 -0.100 1.00 0.57 C ATOM 211 C GLN A 13 -4.956 -3.886 0.135 1.00 0.52 C ATOM 212 O GLN A 13 -4.570 -2.891 -0.516 1.00 0.47 O ATOM 213 CB GLN A 13 -5.315 -6.033 -0.937 1.00 0.62 C ATOM 214 CG GLN A 13 -4.826 -7.480 -1.064 1.00 0.82 C ATOM 215 CD GLN A 13 -3.531 -7.565 -1.729 1.00 1.48 C ATOM 216 OE1 GLN A 13 -3.385 -7.071 -2.865 1.00 2.34 O ATOM 217 NE2 GLN A 13 -2.505 -8.203 -1.148 1.00 2.04 N ATOM 0 H GLN A 13 -4.980 -6.560 1.291 1.00 0.67 H new ATOM 0 HA GLN A 13 -3.379 -5.055 -0.580 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -6.303 -6.019 -0.478 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -5.418 -5.592 -1.929 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -4.754 -7.926 -0.072 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -5.559 -8.062 -1.623 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -2.617 -8.609 -0.219 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -1.612 -8.282 -1.635 1.00 2.04 H new ATOM 226 N LYS A 14 -5.912 -3.772 1.071 1.00 0.57 N ATOM 227 CA LYS A 14 -6.589 -2.560 1.340 1.00 0.57 C ATOM 228 C LYS A 14 -5.673 -1.494 1.745 1.00 0.60 C ATOM 229 O LYS A 14 -5.900 -0.325 1.363 1.00 0.60 O ATOM 230 CB LYS A 14 -7.589 -2.833 2.468 1.00 0.65 C ATOM 231 CG LYS A 14 -8.742 -3.679 1.918 1.00 0.67 C ATOM 232 CD LYS A 14 -9.579 -4.295 3.046 1.00 1.04 C ATOM 233 CE LYS A 14 -10.214 -3.213 3.918 1.00 1.36 C ATOM 234 NZ LYS A 14 -10.994 -3.838 4.986 1.00 1.71 N ATOM 0 H LYS A 14 -6.218 -4.551 1.654 1.00 0.57 H new ATOM 0 HA LYS A 14 -7.088 -2.222 0.432 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -7.097 -3.355 3.289 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.969 -1.894 2.870 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -9.380 -3.060 1.288 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.343 -4.472 1.286 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -10.359 -4.927 2.620 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -8.949 -4.938 3.661 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -9.440 -2.575 4.345 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.856 -2.573 3.312 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -11.425 -3.100 5.578 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -11.742 -4.429 4.570 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -10.370 -4.430 5.570 1.00 1.71 H new ATOM 248 N LYS A 15 -4.597 -1.744 2.504 1.00 0.68 N ATOM 249 CA LYS A 15 -3.709 -0.701 2.859 1.00 0.73 C ATOM 250 C LYS A 15 -3.154 -0.015 1.690 1.00 0.66 C ATOM 251 O LYS A 15 -2.913 1.210 1.756 1.00 0.70 O ATOM 252 CB LYS A 15 -2.552 -1.298 3.660 1.00 0.82 C ATOM 253 CG LYS A 15 -3.059 -1.749 5.031 1.00 0.97 C ATOM 254 CD LYS A 15 -1.904 -2.330 5.851 1.00 1.51 C ATOM 255 CE LYS A 15 -1.559 -3.735 5.350 1.00 1.07 C ATOM 256 NZ LYS A 15 -1.154 -3.681 3.946 1.00 1.94 N ATOM 0 H LYS A 15 -4.347 -2.664 2.867 1.00 0.68 H new ATOM 0 HA LYS A 15 -4.272 0.029 3.440 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -2.122 -2.144 3.123 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -1.759 -0.560 3.779 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -3.503 -0.905 5.559 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -3.843 -2.497 4.910 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -1.030 -1.683 5.773 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -2.179 -2.368 6.905 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -0.755 -4.158 5.953 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -2.421 -4.392 5.463 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 -0.500 -4.464 3.743 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -1.994 -3.765 3.339 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -0.679 -2.775 3.756 1.00 1.94 H new ATOM 270 N ALA A 16 -2.918 -0.657 0.535 1.00 0.58 N ATOM 271 CA ALA A 16 -2.359 0.047 -0.557 1.00 0.53 C ATOM 272 C ALA A 16 -3.374 0.842 -1.248 1.00 0.50 C ATOM 273 O ALA A 16 -3.030 1.628 -2.158 1.00 0.60 O ATOM 274 CB ALA A 16 -1.744 -0.946 -1.545 1.00 0.46 C ATOM 0 H ALA A 16 -3.112 -1.644 0.365 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.593 0.720 -0.171 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.313 -0.403 -2.386 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -0.963 -1.520 -1.046 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.517 -1.624 -1.908 1.00 0.46 H new ATOM 280 N LEU A 17 -4.668 0.717 -0.919 1.00 0.44 N ATOM 281 CA LEU A 17 -5.672 1.489 -1.541 1.00 0.46 C ATOM 282 C LEU A 17 -6.064 2.533 -0.598 1.00 0.57 C ATOM 283 O LEU A 17 -6.902 3.399 -0.929 1.00 0.71 O ATOM 284 CB LEU A 17 -6.881 0.601 -1.848 1.00 0.42 C ATOM 285 CG LEU A 17 -6.779 -0.070 -3.220 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.414 -0.732 -3.405 1.00 0.39 C ATOM 287 CD2 LEU A 17 -7.860 -1.148 -3.313 1.00 0.38 C ATOM 0 H LEU A 17 -5.014 0.069 -0.211 1.00 0.44 H new ATOM 0 HA LEU A 17 -5.308 1.922 -2.472 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.971 -0.165 -1.078 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.789 1.202 -1.807 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.909 0.687 -3.993 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.367 -1.201 -4.388 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.630 0.021 -3.325 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.269 -1.489 -2.634 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -7.803 -1.638 -4.285 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -7.707 -1.886 -2.525 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.842 -0.690 -3.195 1.00 0.38 H new ATOM 299 N ASP A 18 -5.525 2.538 0.630 1.00 0.59 N ATOM 300 CA ASP A 18 -5.834 3.532 1.582 1.00 0.70 C ATOM 301 C ASP A 18 -4.928 4.659 1.381 1.00 0.73 C ATOM 302 O ASP A 18 -5.369 5.825 1.310 1.00 0.82 O ATOM 303 CB ASP A 18 -5.659 2.950 2.988 1.00 0.76 C ATOM 304 CG ASP A 18 -6.042 3.946 3.986 1.00 0.97 C ATOM 305 OD1 ASP A 18 -5.466 5.056 4.012 1.00 1.76 O ATOM 306 OD2 ASP A 18 -6.951 3.704 4.810 1.00 1.24 O ATOM 0 H ASP A 18 -4.863 1.835 0.960 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.864 3.870 1.468 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -6.271 2.055 3.100 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.623 2.648 3.141 1.00 0.76 H new ATOM 311 N LEU A 19 -3.613 4.426 1.272 1.00 0.68 N ATOM 312 CA LEU A 19 -2.681 5.466 1.050 1.00 0.70 C ATOM 313 C LEU A 19 -2.674 5.957 -0.335 1.00 0.71 C ATOM 314 O LEU A 19 -1.626 6.493 -0.756 1.00 0.85 O ATOM 315 CB LEU A 19 -1.294 4.878 1.319 1.00 0.60 C ATOM 316 CG LEU A 19 -1.003 4.770 2.818 1.00 0.67 C ATOM 317 CD1 LEU A 19 -2.088 3.968 3.537 1.00 1.15 C ATOM 318 CD2 LEU A 19 0.342 4.066 3.013 1.00 0.69 C ATOM 0 H LEU A 19 -3.195 3.498 1.340 1.00 0.68 H new ATOM 0 HA LEU A 19 -2.949 6.301 1.698 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -1.223 3.891 0.863 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -0.536 5.503 0.846 1.00 0.60 H new ATOM 0 HG LEU A 19 -0.980 5.776 3.238 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -1.853 3.909 4.600 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -3.052 4.460 3.405 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -2.134 2.962 3.119 1.00 1.15 H new ATOM 0 HD21 LEU A 19 0.559 3.984 4.078 1.00 0.69 H new ATOM 0 HD22 LEU A 19 0.298 3.069 2.574 1.00 0.69 H new ATOM 0 HD23 LEU A 19 1.128 4.643 2.526 1.00 0.69 H new ATOM 330 N ALA A 20 -3.717 5.848 -1.174 1.00 0.62 N ATOM 331 CA ALA A 20 -3.584 6.245 -2.526 1.00 0.70 C ATOM 332 C ALA A 20 -4.424 7.381 -2.921 1.00 0.84 C ATOM 333 O ALA A 20 -4.459 7.704 -4.128 1.00 1.21 O ATOM 334 CB ALA A 20 -3.961 5.048 -3.398 1.00 0.72 C ATOM 0 H ALA A 20 -4.636 5.490 -0.916 1.00 0.62 H new ATOM 0 HA ALA A 20 -2.552 6.572 -2.656 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -3.869 5.320 -4.449 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -3.294 4.214 -3.180 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -4.989 4.754 -3.188 1.00 0.72 H new ATOM 340 N PHE A 21 -5.161 8.071 -2.038 1.00 0.88 N ATOM 341 CA PHE A 21 -5.984 9.149 -2.456 1.00 1.18 C ATOM 342 C PHE A 21 -5.238 10.314 -2.930 1.00 1.61 C ATOM 343 O PHE A 21 -5.130 11.309 -2.179 1.00 2.22 O ATOM 344 CB PHE A 21 -6.833 9.591 -1.266 1.00 1.29 C ATOM 345 CG PHE A 21 -7.788 8.535 -0.966 1.00 1.16 C ATOM 346 CD1 PHE A 21 -7.337 7.318 -0.472 1.00 1.41 C ATOM 347 CD2 PHE A 21 -9.148 8.755 -1.149 1.00 1.63 C ATOM 348 CE1 PHE A 21 -8.243 6.303 -0.197 1.00 1.60 C ATOM 349 CE2 PHE A 21 -10.056 7.743 -0.865 1.00 1.73 C ATOM 350 CZ PHE A 21 -9.601 6.516 -0.400 1.00 1.50 C ATOM 0 H PHE A 21 -5.185 7.880 -1.036 1.00 0.88 H new ATOM 0 HA PHE A 21 -6.580 8.785 -3.293 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -6.200 9.787 -0.401 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -7.355 10.520 -1.496 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -6.282 7.161 -0.302 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -9.498 9.710 -1.511 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -7.894 5.351 0.174 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -11.114 7.910 -1.006 1.00 1.73 H new ATOM 0 HZ PHE A 21 -10.306 5.724 -0.195 1.00 1.50 H new ATOM 360 N TYR A 22 -4.728 10.330 -4.171 1.00 1.98 N ATOM 361 CA TYR A 22 -4.061 11.456 -4.710 1.00 2.50 C ATOM 362 C TYR A 22 -2.839 11.762 -3.972 1.00 2.37 C ATOM 363 O TYR A 22 -2.620 12.934 -3.589 1.00 2.86 O ATOM 364 CB TYR A 22 -4.981 12.682 -4.724 1.00 3.05 C ATOM 365 CG TYR A 22 -4.274 13.822 -5.306 1.00 4.37 C ATOM 366 CD1 TYR A 22 -3.908 13.813 -6.646 1.00 4.86 C ATOM 367 CD2 TYR A 22 -3.945 14.911 -4.507 1.00 4.57 C ATOM 368 CE1 TYR A 22 -3.219 14.891 -7.189 1.00 5.31 C ATOM 369 CE2 TYR A 22 -3.262 15.994 -5.050 1.00 5.05 C ATOM 370 CZ TYR A 22 -2.898 15.984 -6.392 1.00 5.70 C ATOM 371 OH TYR A 22 -2.233 17.033 -6.921 1.00 5.94 O ATOM 0 H TYR A 22 -4.784 9.538 -4.811 1.00 1.98 H new ATOM 0 HA TYR A 22 -3.787 11.206 -5.735 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -5.881 12.467 -5.300 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -5.302 12.920 -3.710 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -4.159 12.966 -7.267 1.00 4.86 H new ATOM 0 HD2 TYR A 22 -4.220 14.916 -3.463 1.00 4.57 H new ATOM 0 HE1 TYR A 22 -2.933 14.880 -8.230 1.00 5.31 H new ATOM 0 HE2 TYR A 22 -3.014 16.843 -4.430 1.00 5.05 H new ATOM 0 HH TYR A 22 -2.089 17.712 -6.229 1.00 5.94 H new ATOM 381 N PHE A 23 -1.939 10.805 -3.720 1.00 2.53 N ATOM 382 CA PHE A 23 -0.754 11.132 -3.031 1.00 3.15 C ATOM 383 C PHE A 23 0.406 10.814 -3.853 1.00 3.06 C ATOM 384 O PHE A 23 1.389 11.586 -3.884 1.00 3.59 O ATOM 385 CB PHE A 23 -0.676 10.288 -1.764 1.00 3.86 C ATOM 386 CG PHE A 23 -1.764 10.628 -0.853 1.00 4.35 C ATOM 387 CD1 PHE A 23 -1.887 11.928 -0.378 1.00 4.54 C ATOM 388 CD2 PHE A 23 -2.667 9.652 -0.452 1.00 5.12 C ATOM 389 CE1 PHE A 23 -2.903 12.245 0.516 1.00 5.32 C ATOM 390 CE2 PHE A 23 -3.680 9.968 0.444 1.00 5.84 C ATOM 391 CZ PHE A 23 -3.796 11.264 0.931 1.00 6.77 C ATOM 0 H PHE A 23 -2.033 9.826 -3.989 1.00 2.53 H new ATOM 0 HA PHE A 23 -0.761 12.196 -2.796 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -0.727 9.230 -2.021 1.00 3.86 H new ATOM 0 HB3 PHE A 23 0.283 10.450 -1.271 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -1.195 12.691 -0.703 1.00 4.54 H new ATOM 0 HD2 PHE A 23 -2.581 8.647 -0.837 1.00 5.12 H new ATOM 0 HE1 PHE A 23 -2.999 13.254 0.888 1.00 5.32 H new ATOM 0 HE2 PHE A 23 -4.377 9.207 0.762 1.00 5.84 H new ATOM 0 HZ PHE A 23 -4.580 11.509 1.632 1.00 6.77 H new ATOM 401 N ASP A 24 0.387 9.711 -4.610 1.00 2.69 N ATOM 402 CA ASP A 24 1.483 9.410 -5.441 1.00 2.83 C ATOM 403 C ASP A 24 1.076 9.686 -6.812 1.00 2.45 C ATOM 404 O ASP A 24 1.897 10.138 -7.639 1.00 2.75 O ATOM 405 CB ASP A 24 1.815 7.924 -5.291 1.00 3.31 C ATOM 406 CG ASP A 24 0.619 7.148 -5.599 1.00 3.96 C ATOM 407 OD1 ASP A 24 -0.415 7.288 -4.911 1.00 4.25 O ATOM 408 OD2 ASP A 24 0.623 6.370 -6.575 1.00 4.50 O ATOM 0 H ASP A 24 -0.380 9.040 -4.642 1.00 2.69 H new ATOM 0 HA ASP A 24 2.359 10.002 -5.177 1.00 2.83 H new ATOM 0 HB2 ASP A 24 2.628 7.648 -5.962 1.00 3.31 H new ATOM 0 HB3 ASP A 24 2.153 7.712 -4.277 1.00 3.31 H new ATOM 413 N ARG A 25 -0.210 9.511 -7.138 1.00 2.47 N ATOM 414 CA ARG A 25 -0.688 9.809 -8.427 1.00 2.98 C ATOM 415 C ARG A 25 -2.066 10.268 -8.253 1.00 2.31 C ATOM 416 O ARG A 25 -2.274 11.392 -7.750 1.00 2.72 O ATOM 417 CB ARG A 25 -0.641 8.511 -9.241 1.00 4.09 C ATOM 418 CG ARG A 25 -1.044 8.748 -10.700 1.00 4.69 C ATOM 419 CD ARG A 25 0.076 9.483 -11.440 1.00 5.33 C ATOM 420 NE ARG A 25 -0.316 9.681 -12.781 1.00 5.75 N ATOM 421 CZ ARG A 25 0.482 10.332 -13.639 1.00 6.57 C ATOM 422 NH1 ARG A 25 1.669 10.809 -13.238 1.00 7.02 N ATOM 423 NH2 ARG A 25 0.088 10.504 -14.910 1.00 7.21 N ATOM 0 H ARG A 25 -0.919 9.159 -6.495 1.00 2.47 H new ATOM 0 HA ARG A 25 -0.103 10.571 -8.943 1.00 2.98 H new ATOM 0 HB2 ARG A 25 0.365 8.093 -9.204 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -1.309 7.775 -8.793 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -1.250 7.795 -11.188 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -1.963 9.332 -10.742 1.00 4.69 H new ATOM 0 HD2 ARG A 25 0.279 10.441 -10.961 1.00 5.33 H new ATOM 0 HD3 ARG A 25 0.999 8.904 -11.398 1.00 5.33 H new ATOM 0 HE ARG A 25 -1.217 9.325 -13.101 1.00 5.75 H new ATOM 0 HH11 ARG A 25 1.972 10.678 -12.273 1.00 7.02 H new ATOM 0 HH12 ARG A 25 2.269 11.303 -13.898 1.00 7.02 H new ATOM 0 HH21 ARG A 25 -0.814 10.140 -15.218 1.00 7.21 H new ATOM 0 HH22 ARG A 25 0.690 10.998 -15.568 1.00 7.21 H new ATOM 437 N ARG A 26 -3.093 9.462 -8.557 1.00 1.76 N ATOM 438 CA ARG A 26 -4.435 9.823 -8.313 1.00 1.34 C ATOM 439 C ARG A 26 -5.213 8.635 -8.645 1.00 1.20 C ATOM 440 O ARG A 26 -4.876 7.963 -9.643 1.00 2.05 O ATOM 441 CB ARG A 26 -4.852 11.042 -9.148 1.00 2.02 C ATOM 442 CG ARG A 26 -6.108 11.679 -8.540 1.00 2.50 C ATOM 443 CD ARG A 26 -7.386 11.106 -9.154 1.00 2.91 C ATOM 444 NE ARG A 26 -8.508 11.573 -8.437 1.00 3.64 N ATOM 445 CZ ARG A 26 -9.002 12.798 -8.668 1.00 4.57 C ATOM 446 NH1 ARG A 26 -8.426 13.594 -9.579 1.00 5.01 N ATOM 447 NH2 ARG A 26 -10.072 13.227 -7.985 1.00 5.37 N ATOM 0 H ARG A 26 -2.981 8.541 -8.981 1.00 1.76 H new ATOM 0 HA ARG A 26 -4.595 10.126 -7.278 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -4.041 11.770 -9.177 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -5.047 10.741 -10.177 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -6.115 11.513 -7.463 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -6.081 12.757 -8.696 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -7.462 11.401 -10.201 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -7.355 10.017 -9.131 1.00 2.91 H new ATOM 0 HE ARG A 26 -8.947 10.974 -7.738 1.00 3.64 H new ATOM 0 HH11 ARG A 26 -7.611 13.268 -10.098 1.00 5.01 H new ATOM 0 HH12 ARG A 26 -8.803 14.526 -9.754 1.00 5.01 H new ATOM 0 HH21 ARG A 26 -10.510 12.622 -7.290 1.00 5.37 H new ATOM 0 HH22 ARG A 26 -10.449 14.159 -8.160 1.00 5.37 H new ATOM 461 N LEU A 27 -6.261 8.232 -7.916 1.00 0.90 N ATOM 462 CA LEU A 27 -6.943 7.065 -8.316 1.00 0.73 C ATOM 463 C LEU A 27 -7.677 7.304 -9.557 1.00 0.78 C ATOM 464 O LEU A 27 -8.782 7.888 -9.550 1.00 1.03 O ATOM 465 CB LEU A 27 -7.895 6.658 -7.192 1.00 0.72 C ATOM 466 CG LEU A 27 -8.625 5.352 -7.515 1.00 0.80 C ATOM 467 CD1 LEU A 27 -9.700 5.602 -8.573 1.00 1.23 C ATOM 468 CD2 LEU A 27 -7.637 4.301 -8.021 1.00 0.86 C ATOM 0 H LEU A 27 -6.621 8.697 -7.083 1.00 0.90 H new ATOM 0 HA LEU A 27 -6.232 6.261 -8.505 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -7.335 6.542 -6.264 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -8.624 7.451 -7.027 1.00 0.72 H new ATOM 0 HG LEU A 27 -9.096 4.983 -6.604 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -10.214 4.667 -8.797 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -10.418 6.331 -8.197 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -9.235 5.986 -9.481 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -8.171 3.378 -8.246 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -7.147 4.667 -8.924 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -6.887 4.108 -7.254 1.00 0.86 H new ATOM 480 N THR A 28 -7.122 6.880 -10.702 1.00 0.82 N ATOM 481 CA THR A 28 -7.759 7.015 -11.952 1.00 0.94 C ATOM 482 C THR A 28 -7.722 5.692 -12.563 1.00 0.88 C ATOM 483 O THR A 28 -7.073 4.803 -11.975 1.00 0.81 O ATOM 484 CB THR A 28 -6.949 7.984 -12.818 1.00 1.13 C ATOM 485 OG1 THR A 28 -5.665 7.422 -13.049 1.00 1.31 O ATOM 486 CG2 THR A 28 -6.803 9.334 -12.119 1.00 1.26 C ATOM 0 H THR A 28 -6.206 6.433 -10.751 1.00 0.82 H new ATOM 0 HA THR A 28 -8.778 7.390 -11.853 1.00 0.94 H new ATOM 0 HB THR A 28 -7.466 8.143 -13.764 1.00 1.13 H new ATOM 0 HG1 THR A 28 -5.503 7.362 -14.014 1.00 1.31 H new ATOM 0 HG21 THR A 28 -6.225 10.009 -12.749 1.00 1.26 H new ATOM 0 HG22 THR A 28 -7.790 9.760 -11.941 1.00 1.26 H new ATOM 0 HG23 THR A 28 -6.290 9.197 -11.167 1.00 1.26 H new ATOM 494 N PRO A 29 -8.336 5.403 -13.722 1.00 0.93 N ATOM 495 CA PRO A 29 -8.243 4.124 -14.320 1.00 0.90 C ATOM 496 C PRO A 29 -6.885 3.704 -14.516 1.00 0.83 C ATOM 497 O PRO A 29 -6.622 2.511 -14.513 1.00 0.82 O ATOM 498 CB PRO A 29 -8.943 4.304 -15.668 1.00 1.01 C ATOM 499 CG PRO A 29 -9.917 5.452 -15.412 1.00 1.11 C ATOM 500 CD PRO A 29 -9.155 6.337 -14.425 1.00 1.07 C ATOM 0 HA PRO A 29 -8.690 3.354 -13.691 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -8.234 4.548 -16.459 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -9.463 3.397 -15.975 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -10.160 5.988 -16.330 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -10.858 5.097 -14.992 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -8.558 7.092 -14.937 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -9.830 6.867 -13.753 1.00 1.07 H new ATOM 508 N GLU A 30 -5.931 4.585 -14.692 1.00 0.83 N ATOM 509 CA GLU A 30 -4.591 4.179 -14.861 1.00 0.81 C ATOM 510 C GLU A 30 -4.059 3.695 -13.591 1.00 0.79 C ATOM 511 O GLU A 30 -3.328 2.682 -13.562 1.00 0.85 O ATOM 512 CB GLU A 30 -3.753 5.378 -15.308 1.00 0.89 C ATOM 513 CG GLU A 30 -4.180 5.827 -16.706 1.00 1.46 C ATOM 514 CD GLU A 30 -5.546 6.339 -16.671 1.00 2.09 C ATOM 515 OE1 GLU A 30 -5.846 7.271 -15.894 1.00 2.72 O ATOM 516 OE2 GLU A 30 -6.411 5.861 -17.437 1.00 2.62 O ATOM 0 H GLU A 30 -6.078 5.594 -14.719 1.00 0.83 H new ATOM 0 HA GLU A 30 -4.551 3.386 -15.608 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -3.874 6.199 -14.601 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -2.696 5.112 -15.310 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -3.503 6.599 -17.071 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -4.114 4.990 -17.401 1.00 1.46 H new ATOM 523 N TRP A 31 -4.359 4.324 -12.447 1.00 0.78 N ATOM 524 CA TRP A 31 -3.850 3.832 -11.229 1.00 0.79 C ATOM 525 C TRP A 31 -4.522 2.578 -10.895 1.00 0.70 C ATOM 526 O TRP A 31 -3.919 1.714 -10.222 1.00 0.71 O ATOM 527 CB TRP A 31 -4.063 4.870 -10.125 1.00 0.93 C ATOM 528 CG TRP A 31 -3.337 4.457 -8.928 1.00 1.38 C ATOM 529 CD1 TRP A 31 -3.878 4.137 -7.686 1.00 2.29 C ATOM 530 CD2 TRP A 31 -1.966 4.291 -8.805 1.00 1.67 C ATOM 531 NE1 TRP A 31 -2.879 3.793 -6.854 1.00 2.57 N ATOM 532 CE2 TRP A 31 -1.716 3.870 -7.517 1.00 2.12 C ATOM 533 CE3 TRP A 31 -0.944 4.481 -9.723 1.00 2.37 C ATOM 534 CZ2 TRP A 31 -0.428 3.595 -7.085 1.00 2.59 C ATOM 535 CZ3 TRP A 31 0.357 4.221 -9.297 1.00 3.11 C ATOM 536 CH2 TRP A 31 0.610 3.776 -7.997 1.00 3.01 C ATOM 0 H TRP A 31 -4.943 5.157 -12.373 1.00 0.78 H new ATOM 0 HA TRP A 31 -2.781 3.643 -11.324 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -3.714 5.848 -10.457 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -5.126 4.969 -9.904 1.00 0.93 H new ATOM 0 HD1 TRP A 31 -4.927 4.161 -7.432 1.00 2.29 H new ATOM 0 HE1 TRP A 31 -2.988 3.518 -5.878 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -1.148 4.817 -10.729 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 -0.236 3.253 -6.079 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 1.181 4.365 -9.981 1.00 3.11 H new ATOM 0 HH2 TRP A 31 1.626 3.569 -7.694 1.00 3.01 H new ATOM 547 N ARG A 32 -5.785 2.365 -11.302 1.00 0.69 N ATOM 548 CA ARG A 32 -6.449 1.153 -11.019 1.00 0.62 C ATOM 549 C ARG A 32 -5.782 0.050 -11.703 1.00 0.61 C ATOM 550 O ARG A 32 -5.560 -1.017 -11.090 1.00 0.60 O ATOM 551 CB ARG A 32 -7.871 1.184 -11.582 1.00 0.66 C ATOM 552 CG ARG A 32 -8.746 2.209 -10.864 1.00 0.89 C ATOM 553 CD ARG A 32 -10.133 2.180 -11.508 1.00 0.80 C ATOM 554 NE ARG A 32 -10.898 3.275 -11.060 1.00 0.83 N ATOM 555 CZ ARG A 32 -11.716 3.903 -11.916 1.00 0.85 C ATOM 556 NH1 ARG A 32 -11.801 3.482 -13.185 1.00 0.82 N ATOM 557 NH2 ARG A 32 -12.454 4.943 -11.506 1.00 0.97 N ATOM 0 H ARG A 32 -6.339 3.041 -11.828 1.00 0.69 H new ATOM 0 HA ARG A 32 -6.447 1.024 -9.937 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.835 1.419 -12.646 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -8.320 0.195 -11.489 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.814 1.974 -9.802 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -8.310 3.205 -10.943 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -10.039 2.212 -12.593 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.639 1.247 -11.259 1.00 0.80 H new ATOM 0 HE ARG A 32 -10.830 3.587 -10.091 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.244 2.686 -13.497 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -12.422 3.957 -13.839 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -12.395 5.260 -10.538 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -13.075 5.418 -12.161 1.00 0.97 H new ATOM 571 N ARG A 33 -5.427 0.167 -12.993 1.00 0.66 N ATOM 572 CA ARG A 33 -4.818 -0.931 -13.633 1.00 0.69 C ATOM 573 C ARG A 33 -3.416 -1.032 -13.237 1.00 0.72 C ATOM 574 O ARG A 33 -2.838 -2.133 -13.369 1.00 0.73 O ATOM 575 CB ARG A 33 -4.983 -0.851 -15.156 1.00 0.80 C ATOM 576 CG ARG A 33 -4.417 0.452 -15.726 1.00 1.16 C ATOM 577 CD ARG A 33 -2.915 0.319 -15.985 1.00 1.14 C ATOM 578 NE ARG A 33 -2.395 1.588 -16.311 1.00 1.66 N ATOM 579 CZ ARG A 33 -1.092 1.735 -16.583 1.00 2.23 C ATOM 580 NH1 ARG A 33 -0.274 0.675 -16.556 1.00 2.26 N ATOM 581 NH2 ARG A 33 -0.609 2.949 -16.883 1.00 3.10 N ATOM 0 H ARG A 33 -5.560 0.998 -13.569 1.00 0.66 H new ATOM 0 HA ARG A 33 -5.321 -1.843 -13.313 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -4.479 -1.699 -15.620 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -6.040 -0.929 -15.411 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -4.931 0.703 -16.654 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -4.600 1.270 -15.029 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -2.414 -0.079 -15.102 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -2.733 -0.383 -16.798 1.00 1.14 H new ATOM 0 HE ARG A 33 -3.014 2.398 -16.340 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -0.643 -0.248 -16.328 1.00 2.26 H new ATOM 0 HH12 ARG A 33 0.718 0.791 -16.764 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -1.233 3.755 -16.903 1.00 3.10 H new ATOM 0 HH22 ARG A 33 0.383 3.066 -17.091 1.00 3.10 H new ATOM 595 N TYR A 34 -2.770 0.022 -12.711 1.00 0.74 N ATOM 596 CA TYR A 34 -1.435 -0.100 -12.271 1.00 0.77 C ATOM 597 C TYR A 34 -1.406 -1.031 -11.151 1.00 0.65 C ATOM 598 O TYR A 34 -0.530 -1.922 -11.090 1.00 0.68 O ATOM 599 CB TYR A 34 -0.913 1.240 -11.751 1.00 0.84 C ATOM 600 CG TYR A 34 0.467 1.046 -11.312 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.482 0.928 -12.254 1.00 1.24 C ATOM 602 CD2 TYR A 34 0.766 0.954 -9.957 1.00 1.37 C ATOM 603 CE1 TYR A 34 2.794 0.726 -11.843 1.00 1.18 C ATOM 604 CE2 TYR A 34 2.078 0.746 -9.545 1.00 1.65 C ATOM 605 CZ TYR A 34 3.092 0.631 -10.489 1.00 1.19 C ATOM 606 OH TYR A 34 4.366 0.427 -10.094 1.00 1.43 O ATOM 0 H TYR A 34 -3.177 0.950 -12.595 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.822 -0.439 -13.106 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.961 1.998 -12.533 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.530 1.595 -10.925 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.251 0.993 -13.307 1.00 1.24 H new ATOM 0 HD2 TYR A 34 -0.022 1.044 -9.224 1.00 1.37 H new ATOM 0 HE1 TYR A 34 3.583 0.643 -12.576 1.00 1.18 H new ATOM 0 HE2 TYR A 34 2.309 0.674 -8.492 1.00 1.65 H new ATOM 0 HH TYR A 34 4.954 1.072 -10.540 1.00 1.43 H new ATOM 616 N LEU A 35 -2.323 -0.887 -10.185 1.00 0.56 N ATOM 617 CA LEU A 35 -2.345 -1.751 -9.076 1.00 0.49 C ATOM 618 C LEU A 35 -2.781 -3.089 -9.459 1.00 0.45 C ATOM 619 O LEU A 35 -2.073 -4.060 -9.130 1.00 0.46 O ATOM 620 CB LEU A 35 -3.356 -1.217 -8.062 1.00 0.58 C ATOM 621 CG LEU A 35 -2.842 0.079 -7.437 1.00 0.66 C ATOM 622 CD1 LEU A 35 -3.926 0.646 -6.520 1.00 1.03 C ATOM 623 CD2 LEU A 35 -1.579 -0.217 -6.625 1.00 1.32 C ATOM 0 H LEU A 35 -3.046 -0.168 -10.181 1.00 0.56 H new ATOM 0 HA LEU A 35 -1.338 -1.801 -8.663 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -4.313 -1.039 -8.552 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -3.529 -1.961 -7.284 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.604 0.803 -8.216 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.572 1.572 -6.067 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -4.826 0.848 -7.101 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -4.155 -0.077 -5.737 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -1.210 0.706 -6.178 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -1.812 -0.934 -5.838 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -0.814 -0.634 -7.280 1.00 1.32 H new ATOM 635 N SER A 36 -3.913 -3.266 -10.158 1.00 0.47 N ATOM 636 CA SER A 36 -4.434 -4.550 -10.456 1.00 0.48 C ATOM 637 C SER A 36 -3.425 -5.511 -10.895 1.00 0.59 C ATOM 638 O SER A 36 -3.357 -6.634 -10.347 1.00 0.66 O ATOM 639 CB SER A 36 -5.445 -4.421 -11.595 1.00 0.52 C ATOM 640 OG SER A 36 -4.766 -4.160 -12.815 1.00 1.35 O ATOM 0 H SER A 36 -4.475 -2.497 -10.522 1.00 0.47 H new ATOM 0 HA SER A 36 -4.874 -4.919 -9.529 1.00 0.48 H new ATOM 0 HB2 SER A 36 -6.028 -5.338 -11.682 1.00 0.52 H new ATOM 0 HB3 SER A 36 -6.148 -3.616 -11.380 1.00 0.52 H new ATOM 0 HG SER A 36 -4.152 -3.406 -12.693 1.00 1.35 H new ATOM 646 N GLN A 37 -2.573 -5.174 -11.874 1.00 0.67 N ATOM 647 CA GLN A 37 -1.622 -6.088 -12.372 1.00 0.80 C ATOM 648 C GLN A 37 -0.699 -6.543 -11.337 1.00 0.75 C ATOM 649 O GLN A 37 -0.239 -7.704 -11.385 1.00 0.86 O ATOM 650 CB GLN A 37 -0.809 -5.369 -13.450 1.00 0.92 C ATOM 651 CG GLN A 37 0.189 -6.344 -14.074 1.00 1.09 C ATOM 652 CD GLN A 37 -0.536 -7.410 -14.760 1.00 2.00 C ATOM 653 OE1 GLN A 37 -1.350 -7.128 -15.665 1.00 2.72 O ATOM 654 NE2 GLN A 37 -0.339 -8.689 -14.414 1.00 2.66 N ATOM 0 H GLN A 37 -2.550 -4.257 -12.319 1.00 0.67 H new ATOM 0 HA GLN A 37 -2.151 -6.959 -12.758 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -1.474 -4.972 -14.217 1.00 0.92 H new ATOM 0 HB3 GLN A 37 -0.281 -4.520 -13.016 1.00 0.92 H new ATOM 0 HG2 GLN A 37 0.836 -5.819 -14.777 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.833 -6.766 -13.302 1.00 1.09 H new ATOM 0 HE21 GLN A 37 0.325 -8.921 -13.675 1.00 2.66 H new ATOM 0 HE22 GLN A 37 -0.853 -9.431 -14.889 1.00 2.66 H new ATOM 663 N ARG A 38 -0.318 -5.717 -10.355 1.00 0.65 N ATOM 664 CA ARG A 38 0.639 -6.131 -9.410 1.00 0.68 C ATOM 665 C ARG A 38 0.028 -6.265 -8.088 1.00 0.59 C ATOM 666 O ARG A 38 0.747 -6.527 -7.099 1.00 0.65 O ATOM 667 CB ARG A 38 1.728 -5.054 -9.395 1.00 0.74 C ATOM 668 CG ARG A 38 2.250 -4.876 -10.825 1.00 1.20 C ATOM 669 CD ARG A 38 3.392 -3.857 -10.868 1.00 1.55 C ATOM 670 NE ARG A 38 4.529 -4.374 -10.213 1.00 1.76 N ATOM 671 CZ ARG A 38 5.625 -3.616 -10.068 1.00 2.41 C ATOM 672 NH1 ARG A 38 5.650 -2.358 -10.527 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.706 -4.124 -9.463 1.00 3.06 N ATOM 0 H ARG A 38 -0.674 -4.771 -10.223 1.00 0.65 H new ATOM 0 HA ARG A 38 1.055 -7.104 -9.670 1.00 0.68 H new ATOM 0 HB2 ARG A 38 1.326 -4.113 -9.018 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.540 -5.344 -8.728 1.00 0.74 H new ATOM 0 HG2 ARG A 38 2.598 -5.834 -11.211 1.00 1.20 H new ATOM 0 HG3 ARG A 38 1.439 -4.546 -11.474 1.00 1.20 H new ATOM 0 HD2 ARG A 38 3.637 -3.617 -11.903 1.00 1.55 H new ATOM 0 HD3 ARG A 38 3.079 -2.928 -10.391 1.00 1.55 H new ATOM 0 HE ARG A 38 4.517 -5.327 -9.849 1.00 1.76 H new ATOM 0 HH11 ARG A 38 4.830 -1.968 -10.992 1.00 2.88 H new ATOM 0 HH12 ARG A 38 6.489 -1.790 -10.412 1.00 2.88 H new ATOM 0 HH21 ARG A 38 6.693 -5.083 -9.115 1.00 3.06 H new ATOM 0 HH22 ARG A 38 7.543 -3.552 -9.350 1.00 3.06 H new ATOM 687 N LEU A 39 -1.294 -6.107 -7.929 1.00 0.55 N ATOM 688 CA LEU A 39 -1.872 -6.183 -6.645 1.00 0.47 C ATOM 689 C LEU A 39 -2.570 -7.463 -6.538 1.00 0.51 C ATOM 690 O LEU A 39 -2.377 -8.185 -5.536 1.00 0.53 O ATOM 691 CB LEU A 39 -2.811 -4.986 -6.457 1.00 0.36 C ATOM 692 CG LEU A 39 -3.317 -4.907 -5.017 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.130 -4.674 -4.081 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.274 -3.723 -4.877 1.00 0.24 C ATOM 0 H LEU A 39 -1.951 -5.928 -8.688 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.121 -6.138 -5.856 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.287 -4.065 -6.713 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.657 -5.072 -7.139 1.00 0.36 H new ATOM 0 HG LEU A 39 -3.828 -5.836 -4.764 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -2.484 -4.617 -3.052 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -1.424 -5.499 -4.176 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -1.635 -3.740 -4.347 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -4.635 -3.666 -3.850 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -3.751 -2.801 -5.129 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.119 -3.857 -5.552 1.00 0.24 H new ATOM 706 N GLY A 40 -3.366 -7.894 -7.531 1.00 0.56 N ATOM 707 CA GLY A 40 -3.958 -9.176 -7.456 1.00 0.64 C ATOM 708 C GLY A 40 -5.409 -9.136 -7.629 1.00 0.60 C ATOM 709 O GLY A 40 -6.046 -10.208 -7.707 1.00 0.69 O ATOM 0 H GLY A 40 -3.592 -7.359 -8.370 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -3.522 -9.819 -8.221 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.723 -9.625 -6.491 1.00 0.64 H new ATOM 713 N LEU A 41 -6.063 -7.970 -7.707 1.00 0.54 N ATOM 714 CA LEU A 41 -7.460 -7.946 -7.917 1.00 0.54 C ATOM 715 C LEU A 41 -7.743 -7.089 -9.066 1.00 0.50 C ATOM 716 O LEU A 41 -6.799 -6.507 -9.641 1.00 0.59 O ATOM 717 CB LEU A 41 -8.231 -7.504 -6.670 1.00 0.56 C ATOM 718 CG LEU A 41 -7.609 -6.263 -6.028 1.00 0.59 C ATOM 719 CD1 LEU A 41 -6.416 -6.686 -5.170 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.137 -5.296 -7.114 1.00 1.25 C ATOM 0 H LEU A 41 -5.624 -7.053 -7.625 1.00 0.54 H new ATOM 0 HA LEU A 41 -7.804 -8.959 -8.125 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.266 -7.294 -6.938 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.248 -8.318 -5.946 1.00 0.56 H new ATOM 0 HG LEU A 41 -8.354 -5.766 -5.407 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -5.968 -5.805 -4.710 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -6.752 -7.371 -4.392 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -5.676 -7.184 -5.796 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -6.695 -4.415 -6.649 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.393 -5.788 -7.740 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -7.986 -4.995 -7.728 1.00 1.25 H new ATOM 732 N ASN A 42 -8.989 -6.961 -9.544 1.00 0.51 N ATOM 733 CA ASN A 42 -9.225 -6.225 -10.727 1.00 0.53 C ATOM 734 C ASN A 42 -9.460 -4.807 -10.453 1.00 0.43 C ATOM 735 O ASN A 42 -9.612 -4.409 -9.279 1.00 0.38 O ATOM 736 CB ASN A 42 -10.454 -6.835 -11.409 1.00 0.66 C ATOM 737 CG ASN A 42 -10.583 -6.359 -12.783 1.00 0.81 C ATOM 738 OD1 ASN A 42 -9.585 -6.337 -13.534 1.00 1.11 O ATOM 739 ND2 ASN A 42 -11.767 -5.918 -13.231 1.00 1.45 N ATOM 0 H ASN A 42 -9.821 -7.365 -9.113 1.00 0.51 H new ATOM 0 HA ASN A 42 -8.345 -6.280 -11.368 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -10.375 -7.922 -11.403 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -11.351 -6.578 -10.846 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -11.852 -5.565 -14.184 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -12.583 -5.935 -12.619 1.00 1.45 H new ATOM 746 N GLU A 43 -9.511 -3.938 -11.476 1.00 0.47 N ATOM 747 CA GLU A 43 -9.716 -2.553 -11.277 1.00 0.45 C ATOM 748 C GLU A 43 -10.971 -2.307 -10.574 1.00 0.40 C ATOM 749 O GLU A 43 -11.080 -1.323 -9.811 1.00 0.38 O ATOM 750 CB GLU A 43 -9.817 -1.879 -12.646 1.00 0.57 C ATOM 751 CG GLU A 43 -8.504 -2.047 -13.410 1.00 0.68 C ATOM 752 CD GLU A 43 -8.620 -1.368 -14.697 1.00 0.88 C ATOM 753 OE1 GLU A 43 -8.862 -0.143 -14.737 1.00 1.78 O ATOM 754 OE2 GLU A 43 -8.471 -2.010 -15.760 1.00 1.31 O ATOM 0 H GLU A 43 -9.407 -4.209 -12.454 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.887 -2.160 -10.689 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.637 -2.316 -13.216 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -10.043 -0.820 -12.523 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -7.677 -1.629 -12.836 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -8.287 -3.105 -13.559 1.00 0.68 H new ATOM 761 N GLU A 44 -12.001 -3.148 -10.740 1.00 0.46 N ATOM 762 CA GLU A 44 -13.217 -2.949 -10.061 1.00 0.46 C ATOM 763 C GLU A 44 -13.002 -3.064 -8.620 1.00 0.40 C ATOM 764 O GLU A 44 -13.632 -2.326 -7.833 1.00 0.43 O ATOM 765 CB GLU A 44 -14.181 -4.050 -10.507 1.00 0.60 C ATOM 766 CG GLU A 44 -14.509 -3.864 -11.990 1.00 1.05 C ATOM 767 CD GLU A 44 -15.099 -2.545 -12.204 1.00 1.48 C ATOM 768 OE1 GLU A 44 -16.143 -2.220 -11.598 1.00 1.78 O ATOM 769 OE2 GLU A 44 -14.570 -1.750 -13.010 1.00 2.31 O ATOM 0 H GLU A 44 -11.982 -3.966 -11.349 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.618 -1.960 -10.284 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -13.734 -5.030 -10.342 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -15.094 -4.012 -9.913 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -13.604 -3.969 -12.588 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -15.200 -4.640 -12.319 1.00 1.05 H new ATOM 776 N GLN A 45 -12.102 -3.938 -8.146 1.00 0.40 N ATOM 777 CA GLN A 45 -11.903 -4.078 -6.758 1.00 0.41 C ATOM 778 C GLN A 45 -11.080 -2.987 -6.241 1.00 0.34 C ATOM 779 O GLN A 45 -10.944 -2.850 -5.006 1.00 0.41 O ATOM 780 CB GLN A 45 -11.207 -5.412 -6.498 1.00 0.51 C ATOM 781 CG GLN A 45 -12.045 -6.546 -7.091 1.00 0.60 C ATOM 782 CD GLN A 45 -13.389 -6.515 -6.523 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.380 -6.368 -7.272 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.564 -6.634 -5.200 1.00 0.97 N ATOM 0 H GLN A 45 -11.519 -4.541 -8.727 1.00 0.40 H new ATOM 0 HA GLN A 45 -12.868 -4.048 -6.252 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.212 -5.409 -6.944 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -11.076 -5.564 -5.427 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -12.096 -6.445 -8.175 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.574 -7.507 -6.882 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -12.757 -6.754 -4.588 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.504 -6.605 -4.805 1.00 0.97 H new ATOM 793 N ILE A 46 -10.472 -2.136 -7.081 1.00 0.28 N ATOM 794 CA ILE A 46 -9.753 -1.036 -6.577 1.00 0.30 C ATOM 795 C ILE A 46 -10.749 -0.058 -6.163 1.00 0.39 C ATOM 796 O ILE A 46 -10.658 0.511 -5.054 1.00 0.52 O ATOM 797 CB ILE A 46 -8.885 -0.408 -7.673 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.852 -1.408 -8.194 1.00 0.36 C ATOM 799 CG2 ILE A 46 -8.152 0.802 -7.092 1.00 0.45 C ATOM 800 CD1 ILE A 46 -6.897 -1.794 -7.065 1.00 0.38 C ATOM 0 H ILE A 46 -10.483 -2.216 -8.098 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.102 -1.347 -5.760 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.530 -0.109 -8.500 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.353 -2.296 -8.580 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.294 -0.972 -9.023 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.531 1.256 -7.864 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -8.879 1.531 -6.735 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.522 0.482 -6.262 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.162 -2.507 -7.438 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.386 -0.903 -6.700 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.461 -2.248 -6.250 1.00 0.38 H new ATOM 812 N GLU A 47 -11.773 0.190 -6.992 1.00 0.38 N ATOM 813 CA GLU A 47 -12.777 1.127 -6.670 1.00 0.47 C ATOM 814 C GLU A 47 -13.500 0.753 -5.455 1.00 0.51 C ATOM 815 O GLU A 47 -13.870 1.662 -4.683 1.00 0.61 O ATOM 816 CB GLU A 47 -13.778 1.164 -7.825 1.00 0.50 C ATOM 817 CG GLU A 47 -13.081 1.682 -9.082 1.00 0.52 C ATOM 818 CD GLU A 47 -14.040 1.725 -10.183 1.00 0.56 C ATOM 819 OE1 GLU A 47 -15.071 2.425 -10.084 1.00 1.11 O ATOM 820 OE2 GLU A 47 -13.824 1.072 -11.226 1.00 1.21 O ATOM 0 H GLU A 47 -11.899 -0.269 -7.894 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.304 2.095 -6.505 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -14.181 0.167 -8.004 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.620 1.808 -7.571 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.672 2.676 -8.902 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -12.243 1.035 -9.340 1.00 0.52 H new ATOM 827 N ARG A 48 -13.777 -0.532 -5.177 1.00 0.47 N ATOM 828 CA ARG A 48 -14.492 -0.886 -4.007 1.00 0.55 C ATOM 829 C ARG A 48 -13.828 -0.452 -2.780 1.00 0.60 C ATOM 830 O ARG A 48 -14.446 0.298 -1.994 1.00 0.68 O ATOM 831 CB ARG A 48 -14.716 -2.398 -3.941 1.00 0.56 C ATOM 832 CG ARG A 48 -16.070 -2.721 -4.577 1.00 0.63 C ATOM 833 CD ARG A 48 -16.018 -2.431 -6.076 1.00 0.60 C ATOM 834 NE ARG A 48 -17.289 -2.630 -6.651 1.00 0.71 N ATOM 835 CZ ARG A 48 -17.446 -2.467 -7.971 1.00 0.80 C ATOM 836 NH1 ARG A 48 -16.390 -2.138 -8.728 1.00 0.80 N ATOM 837 NH2 ARG A 48 -18.651 -2.637 -8.532 1.00 0.94 N ATOM 0 H ARG A 48 -13.504 -1.319 -5.765 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.448 -0.367 -4.074 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -13.917 -2.922 -4.466 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -14.694 -2.739 -2.906 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.321 -3.768 -4.408 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -16.854 -2.126 -4.109 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -15.690 -1.405 -6.245 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.287 -3.082 -6.555 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.082 -2.896 -6.067 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -15.473 -2.013 -8.298 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -16.503 -2.012 -9.734 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -19.452 -2.891 -7.953 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -18.768 -2.512 -9.538 1.00 0.94 H new ATOM 851 N TRP A 49 -12.602 -0.872 -2.434 1.00 0.56 N ATOM 852 CA TRP A 49 -12.068 -0.404 -1.213 1.00 0.64 C ATOM 853 C TRP A 49 -11.773 1.024 -1.282 1.00 0.69 C ATOM 854 O TRP A 49 -11.820 1.697 -0.232 1.00 0.81 O ATOM 855 CB TRP A 49 -10.803 -1.140 -0.777 1.00 0.75 C ATOM 856 CG TRP A 49 -10.409 -0.559 0.504 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.220 0.095 0.811 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.182 -0.501 1.652 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.267 0.519 2.087 1.00 1.29 N ATOM 860 CE2 TRP A 49 -10.451 0.170 2.610 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.458 -0.977 1.906 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -10.964 0.398 3.878 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -12.985 -0.753 3.177 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.247 -0.074 4.149 1.00 3.63 C ATOM 0 H TRP A 49 -12.010 -1.504 -2.973 1.00 0.56 H new ATOM 0 HA TRP A 49 -12.842 -0.600 -0.470 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -10.990 -2.209 -0.677 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.011 -1.023 -1.517 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.392 0.239 0.133 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -8.526 1.022 2.575 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.022 -1.501 1.149 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -10.390 0.922 4.628 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -13.977 -1.109 3.413 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -12.677 0.088 5.126 1.00 3.63 H new ATOM 875 N PHE A 50 -11.416 1.595 -2.441 1.00 0.65 N ATOM 876 CA PHE A 50 -11.100 2.969 -2.514 1.00 0.72 C ATOM 877 C PHE A 50 -12.225 3.779 -2.041 1.00 0.78 C ATOM 878 O PHE A 50 -12.031 4.703 -1.223 1.00 0.89 O ATOM 879 CB PHE A 50 -10.806 3.326 -3.973 1.00 0.72 C ATOM 880 CG PHE A 50 -10.366 4.713 -4.073 1.00 0.86 C ATOM 881 CD1 PHE A 50 -9.078 5.055 -3.677 1.00 1.66 C ATOM 882 CD2 PHE A 50 -11.223 5.688 -4.570 1.00 1.33 C ATOM 883 CE1 PHE A 50 -8.641 6.369 -3.791 1.00 2.06 C ATOM 884 CE2 PHE A 50 -10.789 7.004 -4.674 1.00 1.54 C ATOM 885 CZ PHE A 50 -9.498 7.344 -4.288 1.00 1.68 C ATOM 0 H PHE A 50 -11.348 1.096 -3.328 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.232 3.172 -1.886 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.037 2.663 -4.369 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -11.699 3.176 -4.579 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -8.417 4.299 -3.280 1.00 1.66 H new ATOM 0 HD2 PHE A 50 -12.225 5.423 -4.875 1.00 1.33 H new ATOM 0 HE1 PHE A 50 -7.637 6.632 -3.494 1.00 2.06 H new ATOM 0 HE2 PHE A 50 -11.456 7.763 -5.055 1.00 1.54 H new ATOM 0 HZ PHE A 50 -9.160 8.366 -4.374 1.00 1.68 H new ATOM 895 N ARG A 51 -13.468 3.559 -2.492 1.00 0.74 N ATOM 896 CA ARG A 51 -14.527 4.366 -2.023 1.00 0.81 C ATOM 897 C ARG A 51 -14.941 3.948 -0.682 1.00 0.87 C ATOM 898 O ARG A 51 -15.282 4.822 0.142 1.00 0.99 O ATOM 899 CB ARG A 51 -15.683 4.389 -3.030 1.00 0.79 C ATOM 900 CG ARG A 51 -16.343 3.020 -3.209 1.00 0.78 C ATOM 901 CD ARG A 51 -17.560 2.911 -2.287 1.00 1.14 C ATOM 902 NE ARG A 51 -18.209 1.679 -2.511 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.527 1.648 -2.754 1.00 1.92 C ATOM 904 NH1 ARG A 51 -20.231 2.788 -2.790 1.00 2.21 N ATOM 905 NH2 ARG A 51 -20.142 0.476 -2.961 1.00 2.45 N ATOM 0 H ARG A 51 -13.729 2.839 -3.165 1.00 0.74 H new ATOM 0 HA ARG A 51 -14.177 5.394 -1.934 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -16.433 5.108 -2.699 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -15.312 4.737 -3.994 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -16.647 2.885 -4.247 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -15.629 2.228 -2.981 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -17.249 2.986 -1.245 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -18.247 3.736 -2.475 1.00 1.14 H new ATOM 0 HE ARG A 51 -17.675 0.810 -2.488 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -19.764 3.681 -2.632 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -21.234 2.763 -2.975 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -19.607 -0.392 -2.934 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -21.145 0.452 -3.146 1.00 2.45 H new ATOM 919 N ARG A 52 -14.937 2.659 -0.301 1.00 0.83 N ATOM 920 CA ARG A 52 -15.321 2.312 1.018 1.00 0.98 C ATOM 921 C ARG A 52 -14.351 2.786 2.005 1.00 1.11 C ATOM 922 O ARG A 52 -14.667 2.824 3.212 1.00 1.27 O ATOM 923 CB ARG A 52 -15.412 0.790 1.146 1.00 1.02 C ATOM 924 CG ARG A 52 -16.561 0.226 0.310 1.00 1.24 C ATOM 925 CD ARG A 52 -17.882 0.384 1.069 1.00 1.32 C ATOM 926 NE ARG A 52 -18.330 1.719 1.034 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.309 2.110 1.862 1.00 2.26 C ATOM 928 NH1 ARG A 52 -19.823 1.243 2.746 1.00 2.17 N ATOM 929 NH2 ARG A 52 -19.780 3.363 1.805 1.00 3.08 N ATOM 0 H ARG A 52 -14.672 1.875 -0.898 1.00 0.83 H new ATOM 0 HA ARG A 52 -16.286 2.782 1.208 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -14.472 0.340 0.826 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -15.555 0.520 2.192 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.616 0.746 -0.646 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.381 -0.826 0.091 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.637 -0.268 0.630 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -17.750 0.068 2.104 1.00 1.32 H new ATOM 0 HE ARG A 52 -17.912 2.384 0.383 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -19.469 0.287 2.788 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -20.568 1.539 3.377 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.394 4.023 1.130 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -20.525 3.657 2.437 1.00 3.08 H new ATOM 943 N LYS A 53 -13.121 3.174 1.645 1.00 1.08 N ATOM 944 CA LYS A 53 -12.214 3.679 2.600 1.00 1.25 C ATOM 945 C LYS A 53 -12.693 4.976 3.077 1.00 1.35 C ATOM 946 O LYS A 53 -12.487 5.322 4.260 1.00 1.57 O ATOM 947 CB LYS A 53 -10.852 3.794 1.909 1.00 1.20 C ATOM 948 CG LYS A 53 -9.741 4.313 2.828 1.00 1.31 C ATOM 949 CD LYS A 53 -9.901 5.824 3.000 1.00 1.89 C ATOM 950 CE LYS A 53 -8.571 6.474 3.401 1.00 2.23 C ATOM 951 NZ LYS A 53 -8.230 6.190 4.794 1.00 2.62 N ATOM 0 H LYS A 53 -12.761 3.135 0.691 1.00 1.08 H new ATOM 0 HA LYS A 53 -12.126 3.026 3.468 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -10.566 2.816 1.523 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -10.944 4.460 1.051 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -9.792 3.817 3.797 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -8.764 4.084 2.403 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -10.259 6.264 2.069 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -10.654 6.030 3.760 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -7.777 6.109 2.750 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -8.634 7.552 3.254 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -7.334 6.659 5.035 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -8.984 6.545 5.415 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -8.129 5.163 4.924 1.00 2.62 H new ATOM 965 N GLU A 54 -13.347 5.800 2.246 1.00 1.24 N ATOM 966 CA GLU A 54 -13.810 7.053 2.697 1.00 1.34 C ATOM 967 C GLU A 54 -15.237 7.019 3.036 1.00 1.32 C ATOM 968 O GLU A 54 -15.617 7.412 4.160 1.00 1.39 O ATOM 969 CB GLU A 54 -13.465 8.141 1.670 1.00 1.34 C ATOM 970 CG GLU A 54 -14.181 7.916 0.337 1.00 1.18 C ATOM 971 CD GLU A 54 -13.732 8.901 -0.642 1.00 1.29 C ATOM 972 OE1 GLU A 54 -13.841 10.122 -0.398 1.00 1.61 O ATOM 973 OE2 GLU A 54 -13.245 8.525 -1.730 1.00 1.87 O ATOM 0 H GLU A 54 -13.550 5.593 1.268 1.00 1.24 H new ATOM 0 HA GLU A 54 -13.296 7.302 3.625 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -13.740 9.117 2.069 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -12.388 8.156 1.505 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -13.979 6.909 -0.029 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -15.259 7.994 0.476 1.00 1.18 H new ATOM 980 N GLN A 55 -16.156 6.594 2.155 1.00 1.23 N ATOM 981 CA GLN A 55 -17.535 6.688 2.452 1.00 1.27 C ATOM 982 C GLN A 55 -17.992 5.717 3.445 1.00 1.33 C ATOM 983 O GLN A 55 -19.161 5.816 3.875 1.00 1.41 O ATOM 984 CB GLN A 55 -18.353 6.467 1.177 1.00 1.22 C ATOM 985 CG GLN A 55 -18.067 7.568 0.155 1.00 1.34 C ATOM 986 CD GLN A 55 -18.396 8.870 0.730 1.00 2.13 C ATOM 987 OE1 GLN A 55 -19.543 9.082 1.179 1.00 2.59 O ATOM 988 NE2 GLN A 55 -17.468 9.835 0.782 1.00 2.88 N ATOM 0 H GLN A 55 -15.939 6.189 1.244 1.00 1.23 H new ATOM 0 HA GLN A 55 -17.681 7.685 2.867 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -18.112 5.494 0.748 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -19.416 6.455 1.418 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -17.017 7.543 -0.137 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -18.653 7.400 -0.749 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -16.532 9.662 0.416 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -17.698 10.742 1.188 1.00 2.88 H new ATOM 997 N GLN A 56 -17.221 4.721 3.903 1.00 1.34 N ATOM 998 CA GLN A 56 -17.743 3.862 4.894 1.00 1.42 C ATOM 999 C GLN A 56 -17.778 4.566 6.170 1.00 1.54 C ATOM 1000 O GLN A 56 -18.674 4.310 7.003 1.00 1.59 O ATOM 1001 CB GLN A 56 -16.866 2.621 5.056 1.00 1.47 C ATOM 1002 CG GLN A 56 -17.473 1.710 6.126 1.00 1.66 C ATOM 1003 CD GLN A 56 -16.662 0.504 6.264 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -15.655 0.338 5.542 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -16.997 -0.427 7.168 1.00 2.10 N ATOM 0 H GLN A 56 -16.269 4.519 3.596 1.00 1.34 H new ATOM 0 HA GLN A 56 -18.745 3.558 4.590 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -16.791 2.088 4.108 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -15.854 2.911 5.340 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -17.524 2.236 7.079 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -18.494 1.444 5.854 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -17.818 -0.293 7.758 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -16.431 -1.270 7.266 1.00 2.10 H new ATOM 1014 N ILE A 57 -16.832 5.470 6.456 1.00 1.64 N ATOM 1015 CA ILE A 57 -16.834 6.114 7.708 1.00 1.81 C ATOM 1016 C ILE A 57 -17.515 7.403 7.619 1.00 1.89 C ATOM 1017 O ILE A 57 -17.961 7.930 8.660 1.00 2.07 O ATOM 1018 CB ILE A 57 -15.390 6.313 8.169 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -15.180 7.766 8.598 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -14.473 5.997 6.985 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -15.764 7.972 9.998 1.00 2.66 C ATOM 0 H ILE A 57 -16.080 5.746 5.825 1.00 1.64 H new ATOM 0 HA ILE A 57 -17.368 5.496 8.430 1.00 1.81 H new ATOM 0 HB ILE A 57 -15.169 5.661 9.014 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -14.117 8.007 8.596 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -15.661 8.439 7.889 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -13.433 6.131 7.284 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -14.630 4.966 6.668 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -14.702 6.669 6.158 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -15.615 9.007 10.306 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -16.830 7.747 9.984 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -15.263 7.309 10.703 1.00 2.66 H new ATOM 1033 N GLY A 58 -17.650 8.041 6.447 1.00 1.79 N ATOM 1034 CA GLY A 58 -18.288 9.299 6.431 1.00 1.90 C ATOM 1035 C GLY A 58 -17.379 10.314 5.907 1.00 1.88 C ATOM 1036 O GLY A 58 -17.645 11.519 6.099 1.00 1.99 O ATOM 0 H GLY A 58 -17.327 7.695 5.544 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -19.187 9.252 5.816 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -18.605 9.568 7.439 1.00 1.90 H new ATOM 1040 N TRP A 59 -16.292 9.932 5.218 1.00 1.76 N ATOM 1041 CA TRP A 59 -15.357 10.835 4.658 1.00 1.74 C ATOM 1042 C TRP A 59 -14.318 11.222 5.613 1.00 1.84 C ATOM 1043 O TRP A 59 -13.373 11.931 5.206 1.00 1.91 O ATOM 1044 CB TRP A 59 -15.999 12.093 4.066 1.00 1.80 C ATOM 1045 CG TRP A 59 -14.973 12.815 3.321 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -14.473 12.486 2.065 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -14.320 13.975 3.705 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -13.552 13.399 1.709 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -13.447 14.308 2.691 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -14.432 14.740 4.855 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -12.637 15.430 2.779 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -13.623 15.871 4.954 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -12.737 16.211 3.929 1.00 3.69 C ATOM 0 H TRP A 59 -16.061 8.953 5.048 1.00 1.76 H new ATOM 0 HA TRP A 59 -14.899 10.280 3.839 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -16.828 11.825 3.411 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -16.408 12.721 4.858 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -14.775 11.635 1.472 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -13.022 13.400 0.838 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -15.119 14.471 5.644 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -11.953 15.689 1.985 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -13.682 16.493 5.835 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -12.120 17.092 4.029 1.00 3.69 H new ATOM 1064 N SER A 60 -14.343 10.858 6.905 1.00 1.88 N ATOM 1065 CA SER A 60 -13.256 11.206 7.741 1.00 1.98 C ATOM 1066 C SER A 60 -12.160 10.269 7.482 1.00 1.92 C ATOM 1067 O SER A 60 -11.006 10.526 7.887 1.00 1.98 O ATOM 1068 CB SER A 60 -13.658 11.154 9.215 1.00 2.09 C ATOM 1069 OG SER A 60 -14.675 12.113 9.465 1.00 2.15 O ATOM 0 H SER A 60 -15.096 10.338 7.355 1.00 1.88 H new ATOM 0 HA SER A 60 -12.942 12.227 7.523 1.00 1.98 H new ATOM 0 HB2 SER A 60 -14.014 10.156 9.470 1.00 2.09 H new ATOM 0 HB3 SER A 60 -12.792 11.354 9.846 1.00 2.09 H new ATOM 0 HG SER A 60 -14.933 12.077 10.410 1.00 2.15 H new ATOM 1075 N HIS A 61 -12.440 9.144 6.803 1.00 1.87 N ATOM 1076 CA HIS A 61 -11.494 8.198 6.340 1.00 1.91 C ATOM 1077 C HIS A 61 -10.326 7.891 7.175 1.00 1.97 C ATOM 1078 O HIS A 61 -9.196 7.995 6.653 1.00 2.60 O ATOM 1079 CB HIS A 61 -11.022 8.623 4.944 1.00 2.74 C ATOM 1080 CG HIS A 61 -10.249 9.864 4.945 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -10.726 11.116 4.901 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -8.865 9.960 4.949 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -9.690 11.968 4.890 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -8.550 11.262 4.919 1.00 4.06 N ATOM 0 H HIS A 61 -13.397 8.885 6.565 1.00 1.87 H new ATOM 0 HA HIS A 61 -12.048 7.260 6.358 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -10.415 7.826 4.516 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -11.890 8.745 4.297 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -11.712 11.377 4.879 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -8.168 9.135 4.972 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -9.762 13.045 4.862 1.00 4.69 H new ATOM 1093 N PRO A 62 -10.393 7.479 8.452 1.00 1.93 N ATOM 1094 CA PRO A 62 -9.230 7.129 9.182 1.00 2.45 C ATOM 1095 C PRO A 62 -8.949 5.719 9.114 1.00 2.07 C ATOM 1096 O PRO A 62 -8.261 5.226 9.990 1.00 2.31 O ATOM 1097 CB PRO A 62 -9.673 7.437 10.612 1.00 3.15 C ATOM 1098 CG PRO A 62 -11.140 7.011 10.597 1.00 2.98 C ATOM 1099 CD PRO A 62 -11.612 7.380 9.189 1.00 2.10 C ATOM 0 HA PRO A 62 -8.341 7.645 8.819 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -9.094 6.877 11.347 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -9.559 8.494 10.855 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -11.249 5.943 10.789 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -11.716 7.532 11.362 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -12.273 6.619 8.774 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -12.164 8.320 9.183 1.00 2.10 H new ATOM 1107 N GLN A 63 -9.448 4.968 8.158 1.00 1.69 N ATOM 1108 CA GLN A 63 -9.331 3.553 8.137 1.00 1.52 C ATOM 1109 C GLN A 63 -8.021 2.970 8.446 1.00 1.57 C ATOM 1110 O GLN A 63 -7.894 2.276 9.478 1.00 1.92 O ATOM 1111 CB GLN A 63 -9.775 3.050 6.765 1.00 1.70 C ATOM 1112 CG GLN A 63 -11.200 3.537 6.500 1.00 2.04 C ATOM 1113 CD GLN A 63 -12.128 2.819 7.367 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -11.982 2.851 8.608 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -13.135 2.117 6.832 1.00 2.72 N ATOM 0 H GLN A 63 -9.957 5.348 7.360 1.00 1.69 H new ATOM 0 HA GLN A 63 -9.966 3.224 8.959 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -9.100 3.418 5.992 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -9.736 1.961 6.731 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -11.269 4.609 6.684 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -11.463 3.375 5.455 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -13.256 2.089 5.820 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -13.781 1.610 7.437 1.00 2.72 H new ATOM 1124 N PHE A 64 -6.956 3.131 7.645 1.00 1.51 N ATOM 1125 CA PHE A 64 -5.728 2.539 8.021 1.00 1.64 C ATOM 1126 C PHE A 64 -4.789 3.575 8.429 1.00 1.92 C ATOM 1127 O PHE A 64 -3.650 3.256 8.832 1.00 2.61 O ATOM 1128 CB PHE A 64 -5.114 1.726 6.875 1.00 1.89 C ATOM 1129 CG PHE A 64 -5.899 0.527 6.584 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -5.595 -0.665 7.233 1.00 3.61 C ATOM 1131 CD2 PHE A 64 -6.910 0.552 5.631 1.00 3.73 C ATOM 1132 CE1 PHE A 64 -6.296 -1.826 6.931 1.00 4.84 C ATOM 1133 CE2 PHE A 64 -7.618 -0.606 5.335 1.00 4.94 C ATOM 1134 CZ PHE A 64 -7.309 -1.797 5.982 1.00 5.47 C ATOM 0 H PHE A 64 -6.948 3.653 6.769 1.00 1.51 H new ATOM 0 HA PHE A 64 -5.928 1.861 8.850 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -5.051 2.346 5.981 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -4.095 1.440 7.136 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -4.811 -0.688 7.975 1.00 3.61 H new ATOM 0 HD2 PHE A 64 -7.146 1.473 5.119 1.00 3.73 H new ATOM 0 HE1 PHE A 64 -6.053 -2.750 7.434 1.00 4.84 H new ATOM 0 HE2 PHE A 64 -8.410 -0.581 4.601 1.00 4.94 H new ATOM 0 HZ PHE A 64 -7.856 -2.698 5.747 1.00 5.47 H new ATOM 1144 N GLU A 65 -5.141 4.865 8.382 1.00 2.15 N ATOM 1145 CA GLU A 65 -4.220 5.855 8.776 1.00 3.00 C ATOM 1146 C GLU A 65 -4.403 6.180 10.188 1.00 3.61 C ATOM 1147 O GLU A 65 -3.599 6.953 10.752 1.00 4.51 O ATOM 1148 CB GLU A 65 -4.400 7.074 7.874 1.00 3.51 C ATOM 1149 CG GLU A 65 -5.821 7.615 8.018 1.00 3.70 C ATOM 1150 CD GLU A 65 -6.108 8.489 6.887 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -6.073 8.025 5.726 1.00 5.13 O ATOM 1152 OE2 GLU A 65 -6.383 9.693 7.077 1.00 5.30 O ATOM 0 H GLU A 65 -6.050 5.212 8.075 1.00 2.15 H new ATOM 0 HA GLU A 65 -3.198 5.493 8.666 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -3.678 7.846 8.141 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -4.207 6.802 6.836 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -6.536 6.793 8.051 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -5.923 8.164 8.954 1.00 3.70 H new ATOM 1159 N LYS A 66 -5.429 5.651 10.871 1.00 3.38 N ATOM 1160 CA LYS A 66 -5.585 5.902 12.250 1.00 4.28 C ATOM 1161 C LYS A 66 -4.362 5.546 12.966 1.00 5.06 C ATOM 1162 O LYS A 66 -3.909 4.383 12.892 1.00 5.16 O ATOM 1163 CB LYS A 66 -6.743 5.051 12.772 1.00 4.09 C ATOM 1164 CG LYS A 66 -6.394 3.570 12.601 1.00 3.93 C ATOM 1165 CD LYS A 66 -7.553 2.708 13.105 1.00 4.32 C ATOM 1166 CE LYS A 66 -7.189 1.228 12.964 1.00 4.83 C ATOM 1167 NZ LYS A 66 -8.304 0.410 13.439 1.00 5.28 N ATOM 1168 OXT LYS A 66 -3.769 6.403 13.655 1.00 5.89 O ATOM 0 H LYS A 66 -6.145 5.051 10.461 1.00 3.38 H new ATOM 0 HA LYS A 66 -5.791 6.961 12.408 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -6.930 5.274 13.822 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -7.658 5.287 12.228 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -6.195 3.352 11.552 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -5.485 3.334 13.154 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -7.768 2.943 14.148 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -8.457 2.927 12.536 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -6.968 0.993 11.923 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -6.289 1.006 13.538 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -8.061 -0.597 13.345 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -8.494 0.628 14.438 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -9.152 0.616 12.872 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 10.554 -15.229 -7.072 1.00 4.10 N ATOM 1184 CA MET B 1 10.014 -14.494 -5.929 1.00 3.64 C ATOM 1185 C MET B 1 8.782 -13.827 -6.343 1.00 3.21 C ATOM 1186 O MET B 1 8.832 -12.894 -7.173 1.00 3.62 O ATOM 1187 CB MET B 1 11.043 -13.451 -5.485 1.00 4.45 C ATOM 1188 CG MET B 1 12.298 -14.165 -4.976 1.00 5.33 C ATOM 1189 SD MET B 1 13.578 -12.959 -4.589 1.00 5.99 S ATOM 1190 CE MET B 1 12.644 -12.292 -3.204 1.00 6.70 C ATOM 0 H1 MET B 1 11.130 -16.025 -6.732 1.00 4.10 H new ATOM 0 H2 MET B 1 9.771 -15.591 -7.653 1.00 4.10 H new ATOM 0 H3 MET B 1 11.145 -14.594 -7.645 1.00 4.10 H new ATOM 0 HA MET B 1 9.803 -15.172 -5.102 1.00 3.64 H new ATOM 0 HB2 MET B 1 11.296 -12.795 -6.318 1.00 4.45 H new ATOM 0 HB3 MET B 1 10.625 -12.822 -4.700 1.00 4.45 H new ATOM 0 HG2 MET B 1 12.058 -14.751 -4.089 1.00 5.33 H new ATOM 0 HG3 MET B 1 12.661 -14.863 -5.731 1.00 5.33 H new ATOM 0 HE1 MET B 1 13.333 -11.947 -2.433 1.00 6.70 H new ATOM 0 HE2 MET B 1 12.033 -11.456 -3.546 1.00 6.70 H new ATOM 0 HE3 MET B 1 11.999 -13.068 -2.793 1.00 6.70 H new ATOM 1202 N GLU B 2 7.599 -14.231 -5.859 1.00 2.53 N ATOM 1203 CA GLU B 2 6.411 -13.596 -6.278 1.00 2.22 C ATOM 1204 C GLU B 2 5.742 -12.955 -5.151 1.00 1.85 C ATOM 1205 O GLU B 2 5.371 -11.764 -5.239 1.00 1.99 O ATOM 1206 CB GLU B 2 5.470 -14.639 -6.885 1.00 2.48 C ATOM 1207 CG GLU B 2 4.202 -13.942 -7.383 1.00 2.85 C ATOM 1208 CD GLU B 2 3.310 -14.924 -7.993 1.00 3.41 C ATOM 1209 OE1 GLU B 2 3.706 -15.615 -8.956 1.00 3.99 O ATOM 1210 OE2 GLU B 2 2.151 -15.077 -7.549 1.00 3.75 O ATOM 0 H GLU B 2 7.473 -14.988 -5.187 1.00 2.53 H new ATOM 0 HA GLU B 2 6.665 -12.836 -7.017 1.00 2.22 H new ATOM 0 HB2 GLU B 2 5.963 -15.156 -7.709 1.00 2.48 H new ATOM 0 HB3 GLU B 2 5.216 -15.394 -6.141 1.00 2.48 H new ATOM 0 HG2 GLU B 2 3.699 -13.445 -6.554 1.00 2.85 H new ATOM 0 HG3 GLU B 2 4.460 -13.170 -8.108 1.00 2.85 H new ATOM 1217 N LYS B 3 5.548 -13.637 -4.014 1.00 1.85 N ATOM 1218 CA LYS B 3 4.843 -13.044 -2.949 1.00 1.95 C ATOM 1219 C LYS B 3 5.769 -12.689 -1.881 1.00 1.67 C ATOM 1220 O LYS B 3 6.991 -12.900 -2.035 1.00 1.92 O ATOM 1221 CB LYS B 3 3.804 -14.036 -2.424 1.00 2.60 C ATOM 1222 CG LYS B 3 2.861 -14.435 -3.562 1.00 3.26 C ATOM 1223 CD LYS B 3 2.129 -13.196 -4.081 1.00 3.92 C ATOM 1224 CE LYS B 3 1.216 -12.645 -2.984 1.00 4.14 C ATOM 1225 NZ LYS B 3 0.198 -13.640 -2.653 1.00 4.84 N ATOM 0 H LYS B 3 5.878 -14.587 -3.841 1.00 1.85 H new ATOM 0 HA LYS B 3 4.344 -12.140 -3.299 1.00 1.95 H new ATOM 0 HB2 LYS B 3 4.300 -14.919 -2.021 1.00 2.60 H new ATOM 0 HB3 LYS B 3 3.237 -13.588 -1.608 1.00 2.60 H new ATOM 0 HG2 LYS B 3 3.426 -14.901 -4.369 1.00 3.26 H new ATOM 0 HG3 LYS B 3 2.141 -15.174 -3.209 1.00 3.26 H new ATOM 0 HD2 LYS B 3 2.849 -12.436 -4.385 1.00 3.92 H new ATOM 0 HD3 LYS B 3 1.542 -13.450 -4.963 1.00 3.92 H new ATOM 0 HE2 LYS B 3 1.801 -12.399 -2.098 1.00 4.14 H new ATOM 0 HE3 LYS B 3 0.743 -11.722 -3.319 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 -0.631 -13.165 -2.243 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 -0.085 -14.147 -3.516 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 0.585 -14.317 -1.965 1.00 4.84 H new ATOM 1239 N ARG B 4 5.294 -12.143 -0.751 1.00 1.50 N ATOM 1240 CA ARG B 4 6.150 -11.714 0.288 1.00 1.29 C ATOM 1241 C ARG B 4 6.960 -12.821 0.792 1.00 1.50 C ATOM 1242 O ARG B 4 6.390 -13.766 1.381 1.00 1.81 O ATOM 1243 CB ARG B 4 5.282 -11.191 1.435 1.00 1.45 C ATOM 1244 CG ARG B 4 6.159 -10.659 2.570 1.00 1.70 C ATOM 1245 CD ARG B 4 5.261 -10.305 3.757 1.00 2.72 C ATOM 1246 NE ARG B 4 4.636 -11.482 4.221 1.00 3.33 N ATOM 1247 CZ ARG B 4 3.300 -11.553 4.310 1.00 4.45 C ATOM 1248 NH1 ARG B 4 2.543 -10.502 3.966 1.00 5.09 N ATOM 1249 NH2 ARG B 4 2.719 -12.680 4.742 1.00 5.20 N ATOM 0 H ARG B 4 4.302 -12.001 -0.563 1.00 1.50 H new ATOM 0 HA ARG B 4 6.815 -10.941 -0.098 1.00 1.29 H new ATOM 0 HB2 ARG B 4 4.627 -10.399 1.072 1.00 1.45 H new ATOM 0 HB3 ARG B 4 4.640 -11.990 1.807 1.00 1.45 H new ATOM 0 HG2 ARG B 4 6.895 -11.408 2.863 1.00 1.70 H new ATOM 0 HG3 ARG B 4 6.713 -9.780 2.240 1.00 1.70 H new ATOM 0 HD2 ARG B 4 5.850 -9.851 4.554 1.00 2.72 H new ATOM 0 HD3 ARG B 4 4.511 -9.572 3.458 1.00 2.72 H new ATOM 0 HE ARG B 4 5.205 -12.285 4.491 1.00 3.33 H new ATOM 0 HH11 ARG B 4 2.983 -9.643 3.635 1.00 5.09 H new ATOM 0 HH12 ARG B 4 1.527 -10.561 4.035 1.00 5.09 H new ATOM 0 HH21 ARG B 4 3.293 -13.482 5.003 1.00 5.20 H new ATOM 0 HH22 ARG B 4 1.703 -12.736 4.810 1.00 5.20 H new ATOM 1263 N PRO B 5 8.288 -12.861 0.585 1.00 1.56 N ATOM 1264 CA PRO B 5 9.109 -13.897 1.078 1.00 1.84 C ATOM 1265 C PRO B 5 9.271 -13.748 2.493 1.00 1.57 C ATOM 1266 O PRO B 5 8.729 -12.825 3.078 1.00 1.86 O ATOM 1267 CB PRO B 5 10.458 -13.695 0.384 1.00 2.15 C ATOM 1268 CG PRO B 5 10.170 -12.681 -0.723 1.00 2.06 C ATOM 1269 CD PRO B 5 9.014 -11.873 -0.139 1.00 1.65 C ATOM 0 HA PRO B 5 8.689 -14.885 0.889 1.00 1.84 H new ATOM 0 HB2 PRO B 5 11.210 -13.321 1.079 1.00 2.15 H new ATOM 0 HB3 PRO B 5 10.839 -14.631 -0.024 1.00 2.15 H new ATOM 0 HG2 PRO B 5 11.037 -12.055 -0.935 1.00 2.06 H new ATOM 0 HG3 PRO B 5 9.893 -13.168 -1.658 1.00 2.06 H new ATOM 0 HD2 PRO B 5 9.366 -11.070 0.509 1.00 1.65 H new ATOM 0 HD3 PRO B 5 8.407 -11.411 -0.917 1.00 1.65 H new ATOM 1277 N ARG B 6 10.023 -14.587 3.161 1.00 1.20 N ATOM 1278 CA ARG B 6 10.150 -14.464 4.561 1.00 1.13 C ATOM 1279 C ARG B 6 10.602 -13.125 4.937 1.00 1.07 C ATOM 1280 O ARG B 6 11.766 -12.763 4.662 1.00 1.45 O ATOM 1281 CB ARG B 6 11.176 -15.479 5.070 1.00 1.21 C ATOM 1282 CG ARG B 6 10.660 -16.907 4.875 1.00 1.55 C ATOM 1283 CD ARG B 6 10.565 -17.233 3.383 1.00 1.87 C ATOM 1284 NE ARG B 6 11.843 -17.129 2.794 1.00 2.69 N ATOM 1285 CZ ARG B 6 11.998 -17.343 1.480 1.00 3.24 C ATOM 1286 NH1 ARG B 6 10.940 -17.664 0.722 1.00 3.20 N ATOM 1287 NH2 ARG B 6 13.211 -17.236 0.923 1.00 4.21 N ATOM 0 H ARG B 6 10.549 -15.355 2.744 1.00 1.20 H new ATOM 0 HA ARG B 6 9.171 -14.646 5.004 1.00 1.13 H new ATOM 0 HB2 ARG B 6 12.118 -15.351 4.537 1.00 1.21 H new ATOM 0 HB3 ARG B 6 11.380 -15.301 6.126 1.00 1.21 H new ATOM 0 HG2 ARG B 6 11.328 -17.614 5.368 1.00 1.55 H new ATOM 0 HG3 ARG B 6 9.681 -17.015 5.342 1.00 1.55 H new ATOM 0 HD2 ARG B 6 10.170 -18.240 3.245 1.00 1.87 H new ATOM 0 HD3 ARG B 6 9.871 -16.549 2.894 1.00 1.87 H new ATOM 0 HE ARG B 6 12.651 -16.890 3.369 1.00 2.69 H new ATOM 0 HH11 ARG B 6 10.015 -17.746 1.145 1.00 3.20 H new ATOM 0 HH12 ARG B 6 11.059 -17.827 -0.278 1.00 3.20 H new ATOM 0 HH21 ARG B 6 14.017 -16.992 1.499 1.00 4.21 H new ATOM 0 HH22 ARG B 6 13.329 -17.399 -0.077 1.00 4.21 H new ATOM 1301 N THR B 7 9.740 -12.324 5.585 1.00 0.98 N ATOM 1302 CA THR B 7 10.059 -11.032 6.070 1.00 0.87 C ATOM 1303 C THR B 7 10.948 -10.239 5.221 1.00 0.88 C ATOM 1304 O THR B 7 11.980 -9.744 5.725 1.00 0.89 O ATOM 1305 CB THR B 7 10.677 -11.153 7.465 1.00 0.86 C ATOM 1306 OG1 THR B 7 11.880 -11.904 7.399 1.00 0.94 O ATOM 1307 CG2 THR B 7 9.685 -11.849 8.399 1.00 0.90 C ATOM 0 H THR B 7 8.776 -12.597 5.777 1.00 0.98 H new ATOM 0 HA THR B 7 9.113 -10.491 6.084 1.00 0.87 H new ATOM 0 HB THR B 7 10.902 -10.157 7.847 1.00 0.86 H new ATOM 0 HG1 THR B 7 12.540 -11.418 6.861 1.00 0.94 H new ATOM 0 HG21 THR B 7 10.122 -11.937 9.394 1.00 0.90 H new ATOM 0 HG22 THR B 7 8.767 -11.264 8.456 1.00 0.90 H new ATOM 0 HG23 THR B 7 9.458 -12.843 8.013 1.00 0.90 H new ATOM 1315 N GLU B 8 10.678 -9.998 3.930 1.00 0.91 N ATOM 1316 CA GLU B 8 11.568 -9.179 3.198 1.00 0.98 C ATOM 1317 C GLU B 8 10.893 -8.485 2.104 1.00 0.96 C ATOM 1318 O GLU B 8 11.597 -7.980 1.204 1.00 1.30 O ATOM 1319 CB GLU B 8 12.765 -9.975 2.679 1.00 1.20 C ATOM 1320 CG GLU B 8 12.310 -11.059 1.707 1.00 1.29 C ATOM 1321 CD GLU B 8 13.481 -11.815 1.270 1.00 1.75 C ATOM 1322 OE1 GLU B 8 14.405 -11.235 0.659 1.00 2.26 O ATOM 1323 OE2 GLU B 8 13.568 -13.038 1.514 1.00 2.23 O ATOM 0 H GLU B 8 9.875 -10.357 3.414 1.00 0.91 H new ATOM 0 HA GLU B 8 11.941 -8.423 3.889 1.00 0.98 H new ATOM 0 HB2 GLU B 8 13.466 -9.305 2.182 1.00 1.20 H new ATOM 0 HB3 GLU B 8 13.297 -10.429 3.515 1.00 1.20 H new ATOM 0 HG2 GLU B 8 11.590 -11.721 2.189 1.00 1.29 H new ATOM 0 HG3 GLU B 8 11.807 -10.611 0.850 1.00 1.29 H new ATOM 1330 N PHE B 9 9.550 -8.396 2.111 1.00 0.75 N ATOM 1331 CA PHE B 9 8.757 -7.648 1.197 1.00 0.68 C ATOM 1332 C PHE B 9 8.948 -7.898 -0.235 1.00 0.81 C ATOM 1333 O PHE B 9 10.055 -7.734 -0.796 1.00 0.93 O ATOM 1334 CB PHE B 9 8.818 -6.136 1.471 1.00 0.55 C ATOM 1335 CG PHE B 9 10.151 -5.551 1.350 1.00 0.57 C ATOM 1336 CD1 PHE B 9 10.718 -5.343 0.098 1.00 0.87 C ATOM 1337 CD2 PHE B 9 10.869 -5.229 2.495 1.00 0.82 C ATOM 1338 CE1 PHE B 9 11.992 -4.797 -0.008 1.00 0.92 C ATOM 1339 CE2 PHE B 9 12.144 -4.686 2.391 1.00 0.89 C ATOM 1340 CZ PHE B 9 12.705 -4.467 1.138 1.00 0.72 C ATOM 0 H PHE B 9 8.984 -8.883 2.806 1.00 0.75 H new ATOM 0 HA PHE B 9 7.763 -8.040 1.410 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.148 -5.627 0.779 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.442 -5.946 2.476 1.00 0.55 H new ATOM 0 HD1 PHE B 9 10.168 -5.606 -0.794 1.00 0.87 H new ATOM 0 HD2 PHE B 9 10.435 -5.401 3.469 1.00 0.82 H new ATOM 0 HE1 PHE B 9 12.428 -4.629 -0.982 1.00 0.92 H new ATOM 0 HE2 PHE B 9 12.699 -4.434 3.283 1.00 0.89 H new ATOM 0 HZ PHE B 9 13.694 -4.041 1.055 1.00 0.72 H new ATOM 1350 N SER B 10 7.871 -8.227 -0.964 1.00 0.92 N ATOM 1351 CA SER B 10 7.934 -8.365 -2.370 1.00 1.07 C ATOM 1352 C SER B 10 7.373 -7.158 -2.969 1.00 0.95 C ATOM 1353 O SER B 10 7.012 -6.226 -2.221 1.00 0.79 O ATOM 1354 CB SER B 10 7.107 -9.565 -2.832 1.00 1.27 C ATOM 1355 OG SER B 10 7.267 -9.735 -4.234 1.00 1.65 O ATOM 0 H SER B 10 6.947 -8.398 -0.567 1.00 0.92 H new ATOM 0 HA SER B 10 8.971 -8.514 -2.671 1.00 1.07 H new ATOM 0 HB2 SER B 10 7.426 -10.465 -2.306 1.00 1.27 H new ATOM 0 HB3 SER B 10 6.055 -9.411 -2.591 1.00 1.27 H new ATOM 0 HG SER B 10 6.635 -10.411 -4.556 1.00 1.65 H new ATOM 1361 N GLU B 11 7.202 -7.061 -4.298 1.00 1.08 N ATOM 1362 CA GLU B 11 6.673 -5.886 -4.888 1.00 1.08 C ATOM 1363 C GLU B 11 5.314 -5.617 -4.419 1.00 0.97 C ATOM 1364 O GLU B 11 4.876 -4.446 -4.425 1.00 0.94 O ATOM 1365 CB GLU B 11 6.678 -6.055 -6.411 1.00 1.26 C ATOM 1366 CG GLU B 11 5.676 -7.147 -6.794 1.00 1.21 C ATOM 1367 CD GLU B 11 5.820 -7.514 -8.200 1.00 1.81 C ATOM 1368 OE1 GLU B 11 5.612 -6.676 -9.102 1.00 2.60 O ATOM 1369 OE2 GLU B 11 6.150 -8.681 -8.503 1.00 2.29 O ATOM 0 H GLU B 11 7.433 -7.802 -4.960 1.00 1.08 H new ATOM 0 HA GLU B 11 7.294 -5.038 -4.599 1.00 1.08 H new ATOM 0 HB2 GLU B 11 6.414 -5.115 -6.895 1.00 1.26 H new ATOM 0 HB3 GLU B 11 7.677 -6.322 -6.757 1.00 1.26 H new ATOM 0 HG2 GLU B 11 5.831 -8.025 -6.167 1.00 1.21 H new ATOM 0 HG3 GLU B 11 4.661 -6.797 -6.607 1.00 1.21 H new ATOM 1376 N GLU B 12 4.562 -6.623 -3.948 1.00 0.93 N ATOM 1377 CA GLU B 12 3.270 -6.417 -3.424 1.00 0.82 C ATOM 1378 C GLU B 12 3.347 -5.610 -2.210 1.00 0.71 C ATOM 1379 O GLU B 12 2.520 -4.698 -1.992 1.00 0.70 O ATOM 1380 CB GLU B 12 2.709 -7.786 -3.041 1.00 0.86 C ATOM 1381 CG GLU B 12 1.338 -7.614 -2.387 1.00 1.17 C ATOM 1382 CD GLU B 12 0.853 -8.927 -1.978 1.00 2.12 C ATOM 1383 OE1 GLU B 12 1.536 -9.617 -1.190 1.00 2.73 O ATOM 1384 OE2 GLU B 12 -0.243 -9.350 -2.402 1.00 2.45 O ATOM 0 H GLU B 12 4.866 -7.597 -3.935 1.00 0.93 H new ATOM 0 HA GLU B 12 2.646 -5.910 -4.160 1.00 0.82 H new ATOM 0 HB2 GLU B 12 2.624 -8.416 -3.926 1.00 0.86 H new ATOM 0 HB3 GLU B 12 3.390 -8.290 -2.355 1.00 0.86 H new ATOM 0 HG2 GLU B 12 1.410 -6.951 -1.525 1.00 1.17 H new ATOM 0 HG3 GLU B 12 0.640 -7.153 -3.086 1.00 1.17 H new ATOM 1391 N GLN B 13 4.319 -5.885 -1.332 1.00 0.67 N ATOM 1392 CA GLN B 13 4.432 -5.204 -0.106 1.00 0.57 C ATOM 1393 C GLN B 13 5.050 -3.895 -0.320 1.00 0.52 C ATOM 1394 O GLN B 13 4.682 -2.913 0.361 1.00 0.47 O ATOM 1395 CB GLN B 13 5.391 -6.047 0.734 1.00 0.62 C ATOM 1396 CG GLN B 13 4.888 -7.489 0.860 1.00 0.82 C ATOM 1397 CD GLN B 13 3.597 -7.562 1.533 1.00 1.47 C ATOM 1398 OE1 GLN B 13 3.460 -7.060 2.667 1.00 2.34 O ATOM 1399 NE2 GLN B 13 2.566 -8.199 0.961 1.00 2.04 N ATOM 0 H GLN B 13 5.036 -6.595 -1.484 1.00 0.67 H new ATOM 0 HA GLN B 13 3.459 -5.062 0.364 1.00 0.57 H new ATOM 0 HB2 GLN B 13 6.381 -6.042 0.277 1.00 0.62 H new ATOM 0 HB3 GLN B 13 5.495 -5.606 1.726 1.00 0.62 H new ATOM 0 HG2 GLN B 13 4.805 -7.932 -0.133 1.00 0.82 H new ATOM 0 HG3 GLN B 13 5.618 -8.080 1.412 1.00 0.82 H new ATOM 0 HE21 GLN B 13 2.672 -8.611 0.034 1.00 2.04 H new ATOM 0 HE22 GLN B 13 1.675 -8.271 1.453 1.00 2.04 H new ATOM 1408 N LYS B 14 5.994 -3.764 -1.266 1.00 0.57 N ATOM 1409 CA LYS B 14 6.670 -2.548 -1.520 1.00 0.57 C ATOM 1410 C LYS B 14 5.742 -1.485 -1.902 1.00 0.60 C ATOM 1411 O LYS B 14 5.932 -0.331 -1.461 1.00 0.60 O ATOM 1412 CB LYS B 14 7.662 -2.811 -2.656 1.00 0.65 C ATOM 1413 CG LYS B 14 8.811 -3.663 -2.111 1.00 0.67 C ATOM 1414 CD LYS B 14 9.657 -4.260 -3.241 1.00 1.04 C ATOM 1415 CE LYS B 14 10.295 -3.160 -4.087 1.00 1.36 C ATOM 1416 NZ LYS B 14 11.084 -3.765 -5.159 1.00 1.71 N ATOM 0 H LYS B 14 6.291 -4.532 -1.869 1.00 0.57 H new ATOM 0 HA LYS B 14 7.180 -2.214 -0.616 1.00 0.57 H new ATOM 0 HB2 LYS B 14 7.167 -3.325 -3.480 1.00 0.65 H new ATOM 0 HB3 LYS B 14 8.043 -1.869 -3.051 1.00 0.65 H new ATOM 0 HG2 LYS B 14 9.443 -3.052 -1.466 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.408 -4.466 -1.494 1.00 0.67 H new ATOM 0 HD2 LYS B 14 10.435 -4.897 -2.820 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.033 -4.893 -3.872 1.00 1.04 H new ATOM 0 HE2 LYS B 14 9.523 -2.516 -4.508 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.930 -2.530 -3.464 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 11.519 -3.016 -5.735 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 11.830 -4.362 -4.747 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 10.466 -4.348 -5.758 1.00 1.71 H new ATOM 1430 N LYS B 15 4.696 -1.737 -2.704 1.00 0.68 N ATOM 1431 CA LYS B 15 3.766 -0.723 -3.038 1.00 0.73 C ATOM 1432 C LYS B 15 3.243 -0.030 -1.860 1.00 0.66 C ATOM 1433 O LYS B 15 3.122 1.214 -1.881 1.00 0.70 O ATOM 1434 CB LYS B 15 2.577 -1.348 -3.767 1.00 0.82 C ATOM 1435 CG LYS B 15 2.990 -1.754 -5.181 1.00 0.97 C ATOM 1436 CD LYS B 15 1.775 -2.309 -5.927 1.00 1.51 C ATOM 1437 CE LYS B 15 1.468 -3.727 -5.445 1.00 1.07 C ATOM 1438 NZ LYS B 15 1.104 -3.705 -4.028 1.00 1.94 N ATOM 0 H LYS B 15 4.499 -2.648 -3.119 1.00 0.68 H new ATOM 0 HA LYS B 15 4.295 -0.002 -3.662 1.00 0.73 H new ATOM 0 HB2 LYS B 15 2.220 -2.220 -3.218 1.00 0.82 H new ATOM 0 HB3 LYS B 15 1.751 -0.638 -3.810 1.00 0.82 H new ATOM 0 HG2 LYS B 15 3.396 -0.894 -5.714 1.00 0.97 H new ATOM 0 HG3 LYS B 15 3.779 -2.505 -5.140 1.00 0.97 H new ATOM 0 HD2 LYS B 15 0.911 -1.665 -5.762 1.00 1.51 H new ATOM 0 HD3 LYS B 15 1.968 -2.315 -7.000 1.00 1.51 H new ATOM 0 HE2 LYS B 15 0.653 -4.151 -6.032 1.00 1.07 H new ATOM 0 HE3 LYS B 15 2.337 -4.368 -5.596 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 0.416 -4.461 -3.835 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 1.955 -3.855 -3.449 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 0.682 -2.784 -3.792 1.00 1.94 H new ATOM 1452 N ALA B 16 2.882 -0.704 -0.757 1.00 0.58 N ATOM 1453 CA ALA B 16 2.318 -0.011 0.337 1.00 0.53 C ATOM 1454 C ALA B 16 3.298 0.820 1.035 1.00 0.50 C ATOM 1455 O ALA B 16 2.901 1.634 1.897 1.00 0.60 O ATOM 1456 CB ALA B 16 1.724 -1.015 1.325 1.00 0.46 C ATOM 0 H ALA B 16 2.981 -1.711 -0.630 1.00 0.58 H new ATOM 0 HA ALA B 16 1.545 0.647 -0.060 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.289 -0.481 2.169 1.00 0.46 H new ATOM 0 HB2 ALA B 16 0.950 -1.600 0.828 1.00 0.46 H new ATOM 0 HB3 ALA B 16 2.509 -1.681 1.683 1.00 0.46 H new ATOM 1462 N LEU B 17 4.612 0.710 0.790 1.00 0.44 N ATOM 1463 CA LEU B 17 5.532 1.546 1.456 1.00 0.46 C ATOM 1464 C LEU B 17 5.884 2.624 0.537 1.00 0.57 C ATOM 1465 O LEU B 17 6.435 3.657 0.975 1.00 0.71 O ATOM 1466 CB LEU B 17 6.797 0.761 1.811 1.00 0.42 C ATOM 1467 CG LEU B 17 6.662 0.019 3.142 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.315 -0.695 3.223 1.00 0.38 C ATOM 1469 CD2 LEU B 17 7.779 -1.022 3.226 1.00 0.38 C ATOM 0 H LEU B 17 5.026 0.046 0.136 1.00 0.44 H new ATOM 0 HA LEU B 17 5.093 1.934 2.375 1.00 0.46 H new ATOM 0 HB2 LEU B 17 7.013 0.045 1.018 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.644 1.445 1.862 1.00 0.42 H new ATOM 0 HG LEU B 17 6.730 0.733 3.962 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.237 -1.217 4.177 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.510 0.036 3.143 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.235 -1.414 2.408 1.00 0.38 H new ATOM 0 HD21 LEU B 17 7.702 -1.564 4.169 1.00 0.38 H new ATOM 0 HD22 LEU B 17 7.686 -1.723 2.396 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.746 -0.523 3.173 1.00 0.38 H new ATOM 1481 N ASP B 18 5.597 2.509 -0.770 1.00 0.59 N ATOM 1482 CA ASP B 18 5.908 3.546 -1.677 1.00 0.70 C ATOM 1483 C ASP B 18 4.972 4.654 -1.512 1.00 0.73 C ATOM 1484 O ASP B 18 5.249 5.784 -1.968 1.00 0.82 O ATOM 1485 CB ASP B 18 5.780 3.009 -3.107 1.00 0.76 C ATOM 1486 CG ASP B 18 6.160 4.036 -4.074 1.00 0.97 C ATOM 1487 OD1 ASP B 18 5.537 5.118 -4.120 1.00 1.74 O ATOM 1488 OD2 ASP B 18 7.092 3.828 -4.882 1.00 1.25 O ATOM 0 H ASP B 18 5.150 1.695 -1.190 1.00 0.59 H new ATOM 0 HA ASP B 18 6.923 3.896 -1.486 1.00 0.70 H new ATOM 0 HB2 ASP B 18 6.415 2.132 -3.231 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.755 2.689 -3.291 1.00 0.76 H new ATOM 1493 N LEU B 19 3.795 4.440 -0.909 1.00 0.67 N ATOM 1494 CA LEU B 19 2.843 5.469 -0.760 1.00 0.70 C ATOM 1495 C LEU B 19 2.833 5.933 0.628 1.00 0.70 C ATOM 1496 O LEU B 19 1.849 6.582 1.044 1.00 0.84 O ATOM 1497 CB LEU B 19 1.458 4.900 -1.086 1.00 0.60 C ATOM 1498 CG LEU B 19 1.139 4.917 -2.587 1.00 0.68 C ATOM 1499 CD1 LEU B 19 2.231 4.237 -3.413 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -0.176 4.171 -2.824 1.00 0.69 C ATOM 0 H LEU B 19 3.508 3.541 -0.523 1.00 0.67 H new ATOM 0 HA LEU B 19 3.091 6.296 -1.425 1.00 0.70 H new ATOM 0 HB2 LEU B 19 1.397 3.875 -0.719 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.701 5.475 -0.553 1.00 0.60 H new ATOM 0 HG LEU B 19 1.070 5.959 -2.899 1.00 0.68 H new ATOM 0 HD11 LEU B 19 1.964 4.272 -4.469 1.00 1.16 H new ATOM 0 HD12 LEU B 19 3.178 4.755 -3.261 1.00 1.16 H new ATOM 0 HD13 LEU B 19 2.331 3.198 -3.099 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -0.411 4.178 -3.888 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -0.077 3.141 -2.481 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -0.977 4.662 -2.272 1.00 0.69 H new ATOM 1512 N ALA B 20 3.848 5.668 1.465 1.00 0.62 N ATOM 1513 CA ALA B 20 3.769 6.061 2.822 1.00 0.69 C ATOM 1514 C ALA B 20 4.563 7.252 3.137 1.00 0.83 C ATOM 1515 O ALA B 20 4.652 7.619 4.329 1.00 1.20 O ATOM 1516 CB ALA B 20 4.259 4.891 3.678 1.00 0.72 C ATOM 0 H ALA B 20 4.709 5.188 1.202 1.00 0.62 H new ATOM 0 HA ALA B 20 2.731 6.321 3.031 1.00 0.69 H new ATOM 0 HB1 ALA B 20 4.209 5.165 4.732 1.00 0.72 H new ATOM 0 HB2 ALA B 20 3.628 4.020 3.500 1.00 0.72 H new ATOM 0 HB3 ALA B 20 5.289 4.653 3.413 1.00 0.72 H new ATOM 1522 N PHE B 21 5.193 7.956 2.185 1.00 0.88 N ATOM 1523 CA PHE B 21 5.980 9.092 2.503 1.00 1.17 C ATOM 1524 C PHE B 21 5.202 10.242 2.961 1.00 1.60 C ATOM 1525 O PHE B 21 5.064 11.220 2.195 1.00 2.21 O ATOM 1526 CB PHE B 21 6.746 9.498 1.243 1.00 1.29 C ATOM 1527 CG PHE B 21 7.669 8.417 0.930 1.00 1.15 C ATOM 1528 CD1 PHE B 21 7.167 7.215 0.450 1.00 1.40 C ATOM 1529 CD2 PHE B 21 9.038 8.592 1.099 1.00 1.63 C ATOM 1530 CE1 PHE B 21 8.034 6.161 0.198 1.00 1.60 C ATOM 1531 CE2 PHE B 21 9.903 7.538 0.837 1.00 1.73 C ATOM 1532 CZ PHE B 21 9.397 6.320 0.405 1.00 1.50 C ATOM 0 H PHE B 21 5.154 7.733 1.190 1.00 0.88 H new ATOM 0 HA PHE B 21 6.637 8.811 3.326 1.00 1.17 H new ATOM 0 HB2 PHE B 21 6.059 9.669 0.414 1.00 1.29 H new ATOM 0 HB3 PHE B 21 7.287 10.430 1.406 1.00 1.29 H new ATOM 0 HD1 PHE B 21 6.108 7.101 0.274 1.00 1.40 H new ATOM 0 HD2 PHE B 21 9.427 9.543 1.432 1.00 1.63 H new ATOM 0 HE1 PHE B 21 7.648 5.218 -0.159 1.00 1.60 H new ATOM 0 HE2 PHE B 21 10.967 7.666 0.969 1.00 1.73 H new ATOM 0 HZ PHE B 21 10.067 5.492 0.229 1.00 1.50 H new ATOM 1542 N TYR B 22 4.704 10.268 4.206 1.00 1.98 N ATOM 1543 CA TYR B 22 4.026 11.393 4.732 1.00 2.49 C ATOM 1544 C TYR B 22 2.812 11.705 3.984 1.00 2.37 C ATOM 1545 O TYR B 22 2.591 12.884 3.631 1.00 2.86 O ATOM 1546 CB TYR B 22 4.953 12.614 4.757 1.00 3.05 C ATOM 1547 CG TYR B 22 4.239 13.757 5.320 1.00 4.38 C ATOM 1548 CD1 TYR B 22 3.834 13.745 6.649 1.00 4.86 C ATOM 1549 CD2 TYR B 22 3.940 14.848 4.513 1.00 4.57 C ATOM 1550 CE1 TYR B 22 3.135 14.825 7.173 1.00 5.32 C ATOM 1551 CE2 TYR B 22 3.243 15.930 5.038 1.00 5.05 C ATOM 1552 CZ TYR B 22 2.841 15.919 6.368 1.00 5.69 C ATOM 1553 OH TYR B 22 2.162 16.970 6.875 1.00 5.95 O ATOM 0 H TYR B 22 4.777 9.487 4.857 1.00 1.98 H new ATOM 0 HA TYR B 22 3.730 11.141 5.750 1.00 2.49 H new ATOM 0 HB2 TYR B 22 5.841 12.398 5.351 1.00 3.05 H new ATOM 0 HB3 TYR B 22 5.294 12.846 3.748 1.00 3.05 H new ATOM 0 HD1 TYR B 22 4.063 12.895 7.275 1.00 4.86 H new ATOM 0 HD2 TYR B 22 4.249 14.855 3.478 1.00 4.57 H new ATOM 0 HE1 TYR B 22 2.820 14.814 8.206 1.00 5.32 H new ATOM 0 HE2 TYR B 22 3.014 16.780 4.412 1.00 5.05 H new ATOM 0 HH TYR B 22 2.042 17.649 6.178 1.00 5.95 H new ATOM 1563 N PHE B 23 1.924 10.747 3.692 1.00 2.53 N ATOM 1564 CA PHE B 23 0.739 11.091 3.012 1.00 3.15 C ATOM 1565 C PHE B 23 -0.425 10.746 3.820 1.00 3.06 C ATOM 1566 O PHE B 23 -1.404 11.521 3.877 1.00 3.59 O ATOM 1567 CB PHE B 23 0.674 10.287 1.717 1.00 3.86 C ATOM 1568 CG PHE B 23 1.746 10.678 0.809 1.00 4.36 C ATOM 1569 CD1 PHE B 23 1.836 11.998 0.383 1.00 4.54 C ATOM 1570 CD2 PHE B 23 2.662 9.737 0.355 1.00 5.13 C ATOM 1571 CE1 PHE B 23 2.828 12.372 -0.515 1.00 5.32 C ATOM 1572 CE2 PHE B 23 3.650 10.109 -0.549 1.00 5.84 C ATOM 1573 CZ PHE B 23 3.731 11.426 -0.986 1.00 6.77 C ATOM 0 H PHE B 23 2.028 9.759 3.923 1.00 2.53 H new ATOM 0 HA PHE B 23 0.739 12.163 2.812 1.00 3.15 H new ATOM 0 HB2 PHE B 23 0.751 9.223 1.940 1.00 3.86 H new ATOM 0 HB3 PHE B 23 -0.291 10.443 1.235 1.00 3.86 H new ATOM 0 HD1 PHE B 23 1.135 12.733 0.750 1.00 4.54 H new ATOM 0 HD2 PHE B 23 2.606 8.717 0.705 1.00 5.13 H new ATOM 0 HE1 PHE B 23 2.897 13.397 -0.847 1.00 5.32 H new ATOM 0 HE2 PHE B 23 4.354 9.375 -0.912 1.00 5.84 H new ATOM 0 HZ PHE B 23 4.496 11.714 -1.692 1.00 6.77 H new ATOM 1583 N ASP B 24 -0.420 9.610 4.526 1.00 2.69 N ATOM 1584 CA ASP B 24 -1.511 9.277 5.352 1.00 2.83 C ATOM 1585 C ASP B 24 -1.132 9.603 6.721 1.00 2.45 C ATOM 1586 O ASP B 24 -1.961 10.091 7.519 1.00 2.75 O ATOM 1587 CB ASP B 24 -1.798 7.782 5.215 1.00 3.32 C ATOM 1588 CG ASP B 24 -0.601 7.039 5.584 1.00 3.96 C ATOM 1589 OD1 ASP B 24 0.454 7.181 4.928 1.00 4.25 O ATOM 1590 OD2 ASP B 24 -0.626 6.280 6.575 1.00 4.51 O ATOM 0 H ASP B 24 0.339 8.929 4.521 1.00 2.69 H new ATOM 0 HA ASP B 24 -2.410 9.827 5.073 1.00 2.83 H new ATOM 0 HB2 ASP B 24 -2.632 7.497 5.857 1.00 3.32 H new ATOM 0 HB3 ASP B 24 -2.088 7.546 4.191 1.00 3.32 H new ATOM 1595 N ARG B 25 0.142 9.403 7.083 1.00 2.47 N ATOM 1596 CA ARG B 25 0.596 9.695 8.382 1.00 2.98 C ATOM 1597 C ARG B 25 1.979 10.149 8.237 1.00 2.30 C ATOM 1598 O ARG B 25 2.199 11.277 7.746 1.00 2.72 O ATOM 1599 CB ARG B 25 0.536 8.385 9.179 1.00 4.08 C ATOM 1600 CG ARG B 25 0.908 8.603 10.649 1.00 4.68 C ATOM 1601 CD ARG B 25 -0.229 9.324 11.375 1.00 5.32 C ATOM 1602 NE ARG B 25 0.143 9.521 12.721 1.00 5.75 N ATOM 1603 CZ ARG B 25 -0.672 10.171 13.563 1.00 6.57 C ATOM 1604 NH1 ARG B 25 -1.854 10.636 13.136 1.00 7.03 N ATOM 1605 NH2 ARG B 25 -0.303 10.353 14.838 1.00 7.21 N ATOM 0 H ARG B 25 0.860 9.033 6.459 1.00 2.47 H new ATOM 0 HA ARG B 25 0.005 10.456 8.892 1.00 2.98 H new ATOM 0 HB2 ARG B 25 -0.468 7.965 9.115 1.00 4.08 H new ATOM 0 HB3 ARG B 25 1.215 7.657 8.735 1.00 4.08 H new ATOM 0 HG2 ARG B 25 1.107 7.644 11.128 1.00 4.68 H new ATOM 0 HG3 ARG B 25 1.824 9.190 10.718 1.00 4.68 H new ATOM 0 HD2 ARG B 25 -0.435 10.281 10.896 1.00 5.32 H new ATOM 0 HD3 ARG B 25 -1.145 8.736 11.319 1.00 5.32 H new ATOM 0 HE ARG B 25 1.039 9.166 13.056 1.00 5.75 H new ATOM 0 HH11 ARG B 25 -2.137 10.496 12.166 1.00 7.03 H new ATOM 0 HH12 ARG B 25 -2.471 11.130 13.781 1.00 7.03 H new ATOM 0 HH21 ARG B 25 0.595 9.997 15.165 1.00 7.21 H new ATOM 0 HH22 ARG B 25 -0.921 10.847 15.482 1.00 7.21 H new ATOM 1619 N ARG B 26 3.004 9.345 8.556 1.00 1.75 N ATOM 1620 CA ARG B 26 4.345 9.727 8.341 1.00 1.34 C ATOM 1621 C ARG B 26 5.134 8.541 8.663 1.00 1.19 C ATOM 1622 O ARG B 26 4.807 7.863 9.661 1.00 2.05 O ATOM 1623 CB ARG B 26 4.735 10.928 9.213 1.00 2.02 C ATOM 1624 CG ARG B 26 5.976 11.609 8.624 1.00 2.50 C ATOM 1625 CD ARG B 26 7.264 11.022 9.200 1.00 2.91 C ATOM 1626 NE ARG B 26 8.370 11.508 8.472 1.00 3.64 N ATOM 1627 CZ ARG B 26 8.874 12.721 8.733 1.00 4.57 C ATOM 1628 NH1 ARG B 26 8.333 13.486 9.690 1.00 5.01 N ATOM 1629 NH2 ARG B 26 9.924 13.167 8.031 1.00 5.37 N ATOM 0 H ARG B 26 2.892 8.419 8.968 1.00 1.75 H new ATOM 0 HA ARG B 26 4.515 10.054 7.315 1.00 1.34 H new ATOM 0 HB2 ARG B 26 3.909 11.637 9.264 1.00 2.02 H new ATOM 0 HB3 ARG B 26 4.937 10.600 10.233 1.00 2.02 H new ATOM 0 HG2 ARG B 26 5.975 11.494 7.540 1.00 2.50 H new ATOM 0 HG3 ARG B 26 5.938 12.679 8.831 1.00 2.50 H new ATOM 0 HD2 ARG B 26 7.361 11.292 10.252 1.00 2.91 H new ATOM 0 HD3 ARG B 26 7.233 9.933 9.152 1.00 2.91 H new ATOM 0 HE ARG B 26 8.789 10.932 7.742 1.00 3.64 H new ATOM 0 HH11 ARG B 26 7.533 13.145 10.224 1.00 5.01 H new ATOM 0 HH12 ARG B 26 8.721 14.409 9.885 1.00 5.01 H new ATOM 0 HH21 ARG B 26 10.335 12.584 7.302 1.00 5.37 H new ATOM 0 HH22 ARG B 26 10.312 14.090 8.225 1.00 5.37 H new ATOM 1643 N LEU B 27 6.184 8.153 7.929 1.00 0.90 N ATOM 1644 CA LEU B 27 6.885 6.992 8.318 1.00 0.73 C ATOM 1645 C LEU B 27 7.624 7.225 9.557 1.00 0.77 C ATOM 1646 O LEU B 27 8.726 7.815 9.552 1.00 1.03 O ATOM 1647 CB LEU B 27 7.836 6.602 7.185 1.00 0.72 C ATOM 1648 CG LEU B 27 8.586 5.303 7.492 1.00 0.80 C ATOM 1649 CD1 LEU B 27 9.660 5.555 8.551 1.00 1.23 C ATOM 1650 CD2 LEU B 27 7.616 4.230 7.988 1.00 0.87 C ATOM 0 H LEU B 27 6.534 8.627 7.096 1.00 0.90 H new ATOM 0 HA LEU B 27 6.182 6.181 8.506 1.00 0.73 H new ATOM 0 HB2 LEU B 27 7.271 6.485 6.260 1.00 0.72 H new ATOM 0 HB3 LEU B 27 8.554 7.406 7.020 1.00 0.72 H new ATOM 0 HG LEU B 27 9.060 4.953 6.575 1.00 0.80 H new ATOM 0 HD11 LEU B 27 10.188 4.625 8.762 1.00 1.23 H new ATOM 0 HD12 LEU B 27 10.367 6.298 8.182 1.00 1.23 H new ATOM 0 HD13 LEU B 27 9.191 5.922 9.464 1.00 1.23 H new ATOM 0 HD21 LEU B 27 8.166 3.313 8.202 1.00 0.87 H new ATOM 0 HD22 LEU B 27 7.123 4.577 8.896 1.00 0.87 H new ATOM 0 HD23 LEU B 27 6.867 4.034 7.221 1.00 0.87 H new ATOM 1662 N THR B 28 7.078 6.782 10.698 1.00 0.82 N ATOM 1663 CA THR B 28 7.719 6.904 11.947 1.00 0.93 C ATOM 1664 C THR B 28 7.686 5.574 12.542 1.00 0.87 C ATOM 1665 O THR B 28 7.040 4.691 11.943 1.00 0.80 O ATOM 1666 CB THR B 28 6.910 7.863 12.824 1.00 1.12 C ATOM 1667 OG1 THR B 28 5.624 7.303 13.046 1.00 1.30 O ATOM 1668 CG2 THR B 28 6.771 9.224 12.144 1.00 1.25 C ATOM 0 H THR B 28 6.166 6.328 10.744 1.00 0.82 H new ATOM 0 HA THR B 28 8.737 7.281 11.851 1.00 0.93 H new ATOM 0 HB THR B 28 7.426 8.006 13.774 1.00 1.12 H new ATOM 0 HG1 THR B 28 5.466 7.218 14.009 1.00 1.30 H new ATOM 0 HG21 THR B 28 6.193 9.892 12.782 1.00 1.25 H new ATOM 0 HG22 THR B 28 7.760 9.649 11.975 1.00 1.25 H new ATOM 0 HG23 THR B 28 6.260 9.103 11.189 1.00 1.25 H new ATOM 1676 N PRO B 29 8.301 5.278 13.698 1.00 0.93 N ATOM 1677 CA PRO B 29 8.213 3.992 14.282 1.00 0.90 C ATOM 1678 C PRO B 29 6.859 3.563 14.479 1.00 0.82 C ATOM 1679 O PRO B 29 6.602 2.370 14.476 1.00 0.81 O ATOM 1680 CB PRO B 29 8.917 4.157 15.629 1.00 1.01 C ATOM 1681 CG PRO B 29 9.881 5.316 15.388 1.00 1.10 C ATOM 1682 CD PRO B 29 9.114 6.207 14.412 1.00 1.06 C ATOM 0 HA PRO B 29 8.659 3.232 13.641 1.00 0.90 H new ATOM 0 HB2 PRO B 29 8.209 4.383 16.427 1.00 1.01 H new ATOM 0 HB3 PRO B 29 9.446 3.249 15.919 1.00 1.01 H new ATOM 0 HG2 PRO B 29 10.118 5.842 16.313 1.00 1.10 H new ATOM 0 HG3 PRO B 29 10.825 4.974 14.965 1.00 1.10 H new ATOM 0 HD2 PRO B 29 8.513 6.952 14.933 1.00 1.06 H new ATOM 0 HD3 PRO B 29 9.786 6.749 13.747 1.00 1.06 H new ATOM 1690 N GLU B 30 5.902 4.441 14.663 1.00 0.82 N ATOM 1691 CA GLU B 30 4.563 4.032 14.829 1.00 0.81 C ATOM 1692 C GLU B 30 4.035 3.554 13.552 1.00 0.79 C ATOM 1693 O GLU B 30 3.309 2.537 13.514 1.00 0.84 O ATOM 1694 CB GLU B 30 3.722 5.229 15.281 1.00 0.88 C ATOM 1695 CG GLU B 30 4.171 5.698 16.668 1.00 1.45 C ATOM 1696 CD GLU B 30 5.527 6.238 16.604 1.00 2.08 C ATOM 1697 OE1 GLU B 30 5.791 7.176 15.822 1.00 2.70 O ATOM 1698 OE2 GLU B 30 6.414 5.780 17.356 1.00 2.61 O ATOM 0 H GLU B 30 6.047 5.450 14.699 1.00 0.82 H new ATOM 0 HA GLU B 30 4.521 3.236 15.573 1.00 0.81 H new ATOM 0 HB2 GLU B 30 3.821 6.044 14.564 1.00 0.88 H new ATOM 0 HB3 GLU B 30 2.668 4.953 15.306 1.00 0.88 H new ATOM 0 HG2 GLU B 30 3.486 6.459 17.042 1.00 1.45 H new ATOM 0 HG3 GLU B 30 4.136 4.865 17.370 1.00 1.45 H new ATOM 1705 N TRP B 31 4.336 4.194 12.414 1.00 0.77 N ATOM 1706 CA TRP B 31 3.836 3.711 11.189 1.00 0.78 C ATOM 1707 C TRP B 31 4.522 2.468 10.839 1.00 0.69 C ATOM 1708 O TRP B 31 3.930 1.610 10.149 1.00 0.70 O ATOM 1709 CB TRP B 31 4.040 4.759 10.096 1.00 0.92 C ATOM 1710 CG TRP B 31 3.317 4.345 8.899 1.00 1.37 C ATOM 1711 CD1 TRP B 31 3.853 4.024 7.657 1.00 2.28 C ATOM 1712 CD2 TRP B 31 1.946 4.178 8.782 1.00 1.67 C ATOM 1713 NE1 TRP B 31 2.853 3.675 6.829 1.00 2.57 N ATOM 1714 CE2 TRP B 31 1.693 3.753 7.496 1.00 2.12 C ATOM 1715 CE3 TRP B 31 0.929 4.370 9.703 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 0.403 3.478 7.069 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 -0.375 4.114 9.282 1.00 3.12 C ATOM 1718 CH2 TRP B 31 -0.632 3.666 7.983 1.00 3.02 C ATOM 0 H TRP B 31 4.916 5.031 12.350 1.00 0.77 H new ATOM 0 HA TRP B 31 2.769 3.512 11.284 1.00 0.78 H new ATOM 0 HB2 TRP B 31 3.681 5.731 10.435 1.00 0.92 H new ATOM 0 HB3 TRP B 31 5.102 4.870 9.875 1.00 0.92 H new ATOM 0 HD1 TRP B 31 4.901 4.051 7.399 1.00 2.28 H new ATOM 0 HE1 TRP B 31 2.960 3.397 5.854 1.00 2.57 H new ATOM 0 HE3 TRP B 31 1.138 4.705 10.708 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 0.207 3.131 6.065 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 -1.196 4.264 9.967 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -1.649 3.462 7.683 1.00 3.02 H new ATOM 1729 N ARG B 32 5.784 2.262 11.249 1.00 0.68 N ATOM 1730 CA ARG B 32 6.462 1.060 10.951 1.00 0.61 C ATOM 1731 C ARG B 32 5.803 -0.057 11.618 1.00 0.61 C ATOM 1732 O ARG B 32 5.585 -1.115 10.989 1.00 0.60 O ATOM 1733 CB ARG B 32 7.882 1.103 11.517 1.00 0.66 C ATOM 1734 CG ARG B 32 8.749 2.143 10.809 1.00 0.89 C ATOM 1735 CD ARG B 32 10.133 2.128 11.462 1.00 0.80 C ATOM 1736 NE ARG B 32 10.885 3.240 11.036 1.00 0.83 N ATOM 1737 CZ ARG B 32 11.716 3.848 11.894 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.833 3.394 13.149 1.00 0.82 N ATOM 1739 NH2 ARG B 32 12.438 4.905 11.498 1.00 0.97 N ATOM 0 H ARG B 32 6.329 2.935 11.788 1.00 0.68 H new ATOM 0 HA ARG B 32 6.466 0.942 9.867 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.841 1.330 12.582 1.00 0.66 H new ATOM 0 HB3 ARG B 32 8.342 0.120 11.418 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.827 1.915 9.746 1.00 0.89 H new ATOM 0 HG3 ARG B 32 8.300 3.133 10.890 1.00 0.89 H new ATOM 0 HD2 ARG B 32 10.031 2.143 12.547 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.655 1.207 11.204 1.00 0.80 H new ATOM 0 HE ARG B 32 10.798 3.581 10.079 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.290 2.586 13.452 1.00 0.82 H new ATOM 0 HH12 ARG B 32 12.465 3.857 13.802 1.00 0.82 H new ATOM 0 HH21 ARG B 32 12.356 5.249 10.541 1.00 0.97 H new ATOM 0 HH22 ARG B 32 13.070 5.366 12.153 1.00 0.97 H new ATOM 1753 N ARG B 33 5.445 0.037 12.909 1.00 0.66 N ATOM 1754 CA ARG B 33 4.839 -1.075 13.528 1.00 0.69 C ATOM 1755 C ARG B 33 3.438 -1.173 13.131 1.00 0.71 C ATOM 1756 O ARG B 33 2.856 -2.271 13.270 1.00 0.73 O ATOM 1757 CB ARG B 33 4.988 -1.016 15.052 1.00 0.79 C ATOM 1758 CG ARG B 33 4.412 0.279 15.630 1.00 1.15 C ATOM 1759 CD ARG B 33 2.906 0.140 15.866 1.00 1.14 C ATOM 1760 NE ARG B 33 2.381 1.393 16.240 1.00 1.66 N ATOM 1761 CZ ARG B 33 1.075 1.522 16.509 1.00 2.23 C ATOM 1762 NH1 ARG B 33 0.263 0.460 16.415 1.00 2.27 N ATOM 1763 NH2 ARG B 33 0.583 2.714 16.872 1.00 3.10 N ATOM 0 H ARG B 33 5.573 0.858 13.500 1.00 0.66 H new ATOM 0 HA ARG B 33 5.352 -1.976 13.192 1.00 0.69 H new ATOM 0 HB2 ARG B 33 4.481 -1.871 15.500 1.00 0.79 H new ATOM 0 HB3 ARG B 33 6.042 -1.095 15.317 1.00 0.79 H new ATOM 0 HG2 ARG B 33 4.912 0.519 16.568 1.00 1.15 H new ATOM 0 HG3 ARG B 33 4.604 1.106 14.946 1.00 1.15 H new ATOM 0 HD2 ARG B 33 2.415 -0.219 14.961 1.00 1.14 H new ATOM 0 HD3 ARG B 33 2.714 -0.596 16.646 1.00 1.14 H new ATOM 0 HE ARG B 33 2.997 2.204 16.306 1.00 1.66 H new ATOM 0 HH11 ARG B 33 0.639 -0.447 16.139 1.00 2.27 H new ATOM 0 HH12 ARG B 33 -0.731 0.559 16.620 1.00 2.27 H new ATOM 0 HH21 ARG B 33 1.202 3.521 16.943 1.00 3.10 H new ATOM 0 HH22 ARG B 33 -0.411 2.814 17.077 1.00 3.10 H new ATOM 1777 N TYR B 34 2.796 -0.120 12.602 1.00 0.73 N ATOM 1778 CA TYR B 34 1.459 -0.243 12.171 1.00 0.76 C ATOM 1779 C TYR B 34 1.429 -1.167 11.046 1.00 0.64 C ATOM 1780 O TYR B 34 0.566 -2.070 10.987 1.00 0.67 O ATOM 1781 CB TYR B 34 0.923 1.096 11.665 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.460 0.889 11.246 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.455 0.743 12.205 1.00 1.23 C ATOM 1784 CD2 TYR B 34 -0.782 0.809 9.895 1.00 1.37 C ATOM 1785 CE1 TYR B 34 -2.771 0.525 11.816 1.00 1.18 C ATOM 1786 CE2 TYR B 34 -2.098 0.585 9.505 1.00 1.64 C ATOM 1787 CZ TYR B 34 -3.092 0.444 10.467 1.00 1.18 C ATOM 1788 OH TYR B 34 -4.371 0.226 10.095 1.00 1.42 O ATOM 0 H TYR B 34 3.206 0.806 12.477 1.00 0.73 H new ATOM 0 HA TYR B 34 0.853 -0.588 13.009 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.976 1.851 12.450 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.525 1.459 10.832 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.205 0.799 13.254 1.00 1.23 H new ATOM 0 HD2 TYR B 34 -0.010 0.921 9.149 1.00 1.37 H new ATOM 0 HE1 TYR B 34 -3.544 0.419 12.562 1.00 1.18 H new ATOM 0 HE2 TYR B 34 -2.348 0.521 8.456 1.00 1.64 H new ATOM 0 HH TYR B 34 -4.959 0.856 10.562 1.00 1.42 H new ATOM 1798 N LEU B 35 2.334 -1.002 10.072 1.00 0.55 N ATOM 1799 CA LEU B 35 2.360 -1.865 8.961 1.00 0.49 C ATOM 1800 C LEU B 35 2.812 -3.199 9.345 1.00 0.45 C ATOM 1801 O LEU B 35 2.110 -4.174 9.016 1.00 0.46 O ATOM 1802 CB LEU B 35 3.354 -1.319 7.936 1.00 0.57 C ATOM 1803 CG LEU B 35 2.822 -0.029 7.314 1.00 0.66 C ATOM 1804 CD1 LEU B 35 3.899 0.548 6.393 1.00 1.03 C ATOM 1805 CD2 LEU B 35 1.558 -0.333 6.508 1.00 1.32 C ATOM 0 H LEU B 35 3.043 -0.269 10.062 1.00 0.55 H new ATOM 0 HA LEU B 35 1.352 -1.926 8.552 1.00 0.49 H new ATOM 0 HB2 LEU B 35 4.314 -1.130 8.416 1.00 0.57 H new ATOM 0 HB3 LEU B 35 3.528 -2.061 7.157 1.00 0.57 H new ATOM 0 HG LEU B 35 2.578 0.691 8.095 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.535 1.470 5.940 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.798 0.758 6.972 1.00 1.03 H new ATOM 0 HD13 LEU B 35 4.132 -0.173 5.610 1.00 1.03 H new ATOM 0 HD21 LEU B 35 1.179 0.588 6.065 1.00 1.32 H new ATOM 0 HD22 LEU B 35 1.793 -1.046 5.718 1.00 1.32 H new ATOM 0 HD23 LEU B 35 0.800 -0.757 7.166 1.00 1.32 H new ATOM 1817 N SER B 36 3.941 -3.372 10.051 1.00 0.46 N ATOM 1818 CA SER B 36 4.469 -4.655 10.343 1.00 0.48 C ATOM 1819 C SER B 36 3.459 -5.619 10.773 1.00 0.59 C ATOM 1820 O SER B 36 3.392 -6.740 10.222 1.00 0.66 O ATOM 1821 CB SER B 36 5.475 -4.528 11.489 1.00 0.52 C ATOM 1822 OG SER B 36 4.792 -4.270 12.708 1.00 1.35 O ATOM 0 H SER B 36 4.495 -2.601 10.424 1.00 0.46 H new ATOM 0 HA SER B 36 4.918 -5.017 9.418 1.00 0.48 H new ATOM 0 HB2 SER B 36 6.058 -5.445 11.576 1.00 0.52 H new ATOM 0 HB3 SER B 36 6.178 -3.722 11.279 1.00 0.52 H new ATOM 0 HG SER B 36 4.196 -3.500 12.593 1.00 1.35 H new ATOM 1828 N GLN B 37 2.611 -5.287 11.757 1.00 0.67 N ATOM 1829 CA GLN B 37 1.655 -6.199 12.250 1.00 0.80 C ATOM 1830 C GLN B 37 0.728 -6.651 11.215 1.00 0.75 C ATOM 1831 O GLN B 37 0.266 -7.811 11.269 1.00 0.86 O ATOM 1832 CB GLN B 37 0.851 -5.481 13.337 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.137 -6.461 13.972 1.00 1.09 C ATOM 1834 CD GLN B 37 0.603 -7.520 14.652 1.00 1.99 C ATOM 1835 OE1 GLN B 37 1.416 -7.231 15.556 1.00 2.71 O ATOM 1836 NE2 GLN B 37 0.420 -8.800 14.301 1.00 2.65 N ATOM 0 H GLN B 37 2.595 -4.374 12.210 1.00 0.67 H new ATOM 0 HA GLN B 37 2.179 -7.076 12.629 1.00 0.80 H new ATOM 0 HB2 GLN B 37 1.523 -5.082 14.097 1.00 0.91 H new ATOM 0 HB3 GLN B 37 0.315 -4.634 12.908 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -0.780 -5.939 14.680 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.786 -6.888 13.207 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -0.243 -9.037 13.563 1.00 2.65 H new ATOM 0 HE22 GLN B 37 0.944 -9.538 14.772 1.00 2.65 H new ATOM 1845 N ARG B 38 0.346 -5.825 10.231 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.611 -6.248 9.289 1.00 0.68 C ATOM 1847 C ARG B 38 -0.010 -6.361 7.961 1.00 0.59 C ATOM 1848 O ARG B 38 -0.734 -6.616 6.976 1.00 0.65 O ATOM 1849 CB ARG B 38 -1.730 -5.204 9.287 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.247 -5.065 10.722 1.00 1.20 C ATOM 1851 CD ARG B 38 -3.420 -4.086 10.800 1.00 1.55 C ATOM 1852 NE ARG B 38 -4.566 -4.636 10.189 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.682 -3.898 10.104 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -5.676 -2.637 10.556 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.803 -4.413 9.580 1.00 3.07 N ATOM 0 H ARG B 38 0.700 -4.878 10.096 1.00 0.65 H new ATOM 0 HA ARG B 38 -1.002 -7.231 9.550 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -1.358 -4.247 8.921 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.536 -5.509 8.619 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.560 -6.041 11.094 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -1.440 -4.721 11.369 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -3.635 -3.849 11.842 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -3.153 -3.150 10.309 1.00 1.55 H new ATOM 0 HE ARG B 38 -4.546 -5.585 9.816 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -4.826 -2.245 10.961 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -6.521 -2.069 10.495 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -6.812 -5.375 9.241 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -7.647 -3.843 9.520 1.00 3.07 H new ATOM 1869 N LEU B 39 1.310 -6.191 7.792 1.00 0.55 N ATOM 1870 CA LEU B 39 1.878 -6.252 6.502 1.00 0.47 C ATOM 1871 C LEU B 39 2.578 -7.530 6.375 1.00 0.51 C ATOM 1872 O LEU B 39 2.385 -8.238 5.363 1.00 0.53 O ATOM 1873 CB LEU B 39 2.811 -5.050 6.315 1.00 0.36 C ATOM 1874 CG LEU B 39 3.297 -4.960 4.869 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.094 -4.736 3.951 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.243 -3.768 4.722 1.00 0.24 C ATOM 0 H LEU B 39 1.972 -6.013 8.547 1.00 0.55 H new ATOM 0 HA LEU B 39 1.120 -6.201 5.721 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.288 -4.133 6.585 1.00 0.36 H new ATOM 0 HB3 LEU B 39 3.666 -5.139 6.986 1.00 0.36 H new ATOM 0 HG LEU B 39 3.814 -5.882 4.603 1.00 0.30 H new ATOM 0 HD11 LEU B 39 2.433 -4.671 2.917 1.00 0.34 H new ATOM 0 HD12 LEU B 39 1.398 -5.569 4.053 1.00 0.34 H new ATOM 0 HD13 LEU B 39 1.593 -3.809 4.228 1.00 0.34 H new ATOM 0 HD21 LEU B 39 4.590 -3.704 3.691 1.00 0.24 H new ATOM 0 HD22 LEU B 39 3.716 -2.851 4.986 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.098 -3.898 5.385 1.00 0.24 H new ATOM 1888 N GLY B 40 3.377 -7.972 7.359 1.00 0.56 N ATOM 1889 CA GLY B 40 3.971 -9.252 7.267 1.00 0.64 C ATOM 1890 C GLY B 40 5.423 -9.210 7.437 1.00 0.60 C ATOM 1891 O GLY B 40 6.064 -10.282 7.496 1.00 0.68 O ATOM 0 H GLY B 40 3.605 -7.447 8.203 1.00 0.56 H new ATOM 0 HA2 GLY B 40 3.539 -9.905 8.025 1.00 0.64 H new ATOM 0 HA3 GLY B 40 3.735 -9.690 6.297 1.00 0.64 H new ATOM 1895 N LEU B 41 6.074 -8.043 7.532 1.00 0.54 N ATOM 1896 CA LEU B 41 7.471 -8.017 7.739 1.00 0.54 C ATOM 1897 C LEU B 41 7.754 -7.178 8.901 1.00 0.50 C ATOM 1898 O LEU B 41 6.810 -6.609 9.489 1.00 0.59 O ATOM 1899 CB LEU B 41 8.234 -7.544 6.498 1.00 0.56 C ATOM 1900 CG LEU B 41 7.594 -6.300 5.881 1.00 0.59 C ATOM 1901 CD1 LEU B 41 6.406 -6.723 5.017 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.110 -5.360 6.985 1.00 1.25 C ATOM 0 H LEU B 41 5.631 -7.126 7.465 1.00 0.54 H new ATOM 0 HA LEU B 41 7.820 -9.032 7.928 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.267 -7.326 6.767 1.00 0.56 H new ATOM 0 HB3 LEU B 41 8.259 -8.345 5.759 1.00 0.56 H new ATOM 0 HG LEU B 41 8.331 -5.781 5.269 1.00 0.59 H new ATOM 0 HD11 LEU B 41 5.945 -5.840 4.574 1.00 0.60 H new ATOM 0 HD12 LEU B 41 6.751 -7.388 4.225 1.00 0.60 H new ATOM 0 HD13 LEU B 41 5.674 -7.243 5.635 1.00 0.60 H new ATOM 0 HD21 LEU B 41 6.655 -4.476 6.537 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.373 -5.873 7.603 1.00 1.25 H new ATOM 0 HD23 LEU B 41 7.956 -5.059 7.603 1.00 1.25 H new ATOM 1914 N ASN B 42 9.001 -7.053 9.377 1.00 0.51 N ATOM 1915 CA ASN B 42 9.236 -6.332 10.569 1.00 0.53 C ATOM 1916 C ASN B 42 9.468 -4.912 10.309 1.00 0.44 C ATOM 1917 O ASN B 42 9.621 -4.503 9.138 1.00 0.38 O ATOM 1918 CB ASN B 42 10.465 -6.948 11.246 1.00 0.66 C ATOM 1919 CG ASN B 42 10.591 -6.485 12.625 1.00 0.81 C ATOM 1920 OD1 ASN B 42 9.590 -6.473 13.374 1.00 1.11 O ATOM 1921 ND2 ASN B 42 11.772 -6.047 13.080 1.00 1.45 N ATOM 0 H ASN B 42 9.833 -7.448 8.938 1.00 0.51 H new ATOM 0 HA ASN B 42 8.357 -6.397 11.210 1.00 0.53 H new ATOM 0 HB2 ASN B 42 10.387 -8.035 11.230 1.00 0.66 H new ATOM 0 HB3 ASN B 42 11.363 -6.684 10.687 1.00 0.66 H new ATOM 0 HD21 ASN B 42 11.854 -5.704 14.037 1.00 1.45 H new ATOM 0 HD22 ASN B 42 12.589 -6.057 12.470 1.00 1.45 H new ATOM 1928 N GLU B 43 9.515 -4.051 11.339 1.00 0.47 N ATOM 1929 CA GLU B 43 9.717 -2.665 11.154 1.00 0.45 C ATOM 1930 C GLU B 43 10.973 -2.411 10.454 1.00 0.40 C ATOM 1931 O GLU B 43 11.080 -1.420 9.700 1.00 0.38 O ATOM 1932 CB GLU B 43 9.819 -2.003 12.528 1.00 0.56 C ATOM 1933 CG GLU B 43 8.507 -2.181 13.293 1.00 0.67 C ATOM 1934 CD GLU B 43 8.623 -1.513 14.586 1.00 0.87 C ATOM 1935 OE1 GLU B 43 8.861 -0.287 14.637 1.00 1.77 O ATOM 1936 OE2 GLU B 43 8.477 -2.164 15.643 1.00 1.31 O ATOM 0 H GLU B 43 9.410 -4.330 12.314 1.00 0.47 H new ATOM 0 HA GLU B 43 8.886 -2.269 10.571 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.641 -2.443 13.093 1.00 0.56 H new ATOM 0 HB3 GLU B 43 10.042 -0.942 12.414 1.00 0.56 H new ATOM 0 HG2 GLU B 43 7.678 -1.760 12.724 1.00 0.67 H new ATOM 0 HG3 GLU B 43 8.292 -3.240 13.433 1.00 0.67 H new ATOM 1943 N GLU B 44 12.002 -3.253 10.614 1.00 0.46 N ATOM 1944 CA GLU B 44 13.220 -3.045 9.940 1.00 0.46 C ATOM 1945 C GLU B 44 13.009 -3.141 8.498 1.00 0.40 C ATOM 1946 O GLU B 44 13.641 -2.391 7.723 1.00 0.43 O ATOM 1947 CB GLU B 44 14.184 -4.151 10.374 1.00 0.60 C ATOM 1948 CG GLU B 44 14.506 -3.989 11.861 1.00 1.05 C ATOM 1949 CD GLU B 44 15.091 -2.673 12.102 1.00 1.49 C ATOM 1950 OE1 GLU B 44 16.138 -2.334 11.508 1.00 1.77 O ATOM 1951 OE2 GLU B 44 14.556 -1.893 12.920 1.00 2.32 O ATOM 0 H GLU B 44 11.982 -4.078 11.214 1.00 0.46 H new ATOM 0 HA GLU B 44 13.620 -2.059 10.177 1.00 0.46 H new ATOM 0 HB2 GLU B 44 13.739 -5.129 10.191 1.00 0.60 H new ATOM 0 HB3 GLU B 44 15.100 -4.102 9.785 1.00 0.60 H new ATOM 0 HG2 GLU B 44 13.599 -4.107 12.454 1.00 1.05 H new ATOM 0 HG3 GLU B 44 15.199 -4.768 12.179 1.00 1.05 H new ATOM 1958 N GLN B 45 12.112 -4.009 8.006 1.00 0.40 N ATOM 1959 CA GLN B 45 11.920 -4.129 6.616 1.00 0.41 C ATOM 1960 C GLN B 45 11.096 -3.033 6.111 1.00 0.35 C ATOM 1961 O GLN B 45 10.974 -2.872 4.877 1.00 0.41 O ATOM 1962 CB GLN B 45 11.225 -5.459 6.332 1.00 0.51 C ATOM 1963 CG GLN B 45 12.059 -6.601 6.913 1.00 0.60 C ATOM 1964 CD GLN B 45 13.408 -6.558 6.356 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.392 -6.421 7.114 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.593 -6.656 5.033 1.00 0.97 N ATOM 0 H GLN B 45 11.527 -4.621 8.575 1.00 0.40 H new ATOM 0 HA GLN B 45 12.888 -4.090 6.116 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.228 -5.462 6.772 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.100 -5.595 5.258 1.00 0.51 H new ATOM 0 HG2 GLN B 45 12.101 -6.518 7.999 1.00 0.60 H new ATOM 0 HG3 GLN B 45 11.591 -7.559 6.685 1.00 0.60 H new ATOM 0 HE21 GLN B 45 12.791 -6.768 4.413 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.536 -6.619 4.646 1.00 0.97 H new ATOM 1975 N ILE B 46 10.473 -2.203 6.961 1.00 0.29 N ATOM 1976 CA ILE B 46 9.753 -1.097 6.471 1.00 0.30 C ATOM 1977 C ILE B 46 10.749 -0.110 6.078 1.00 0.39 C ATOM 1978 O ILE B 46 10.661 0.478 4.979 1.00 0.52 O ATOM 1979 CB ILE B 46 8.879 -0.487 7.571 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.840 -1.493 8.072 1.00 0.36 C ATOM 1981 CG2 ILE B 46 8.152 0.733 7.004 1.00 0.45 C ATOM 1982 CD1 ILE B 46 6.893 -1.863 6.931 1.00 0.38 C ATOM 0 H ILE B 46 10.473 -2.304 7.976 1.00 0.29 H new ATOM 0 HA ILE B 46 9.106 -1.398 5.647 1.00 0.30 H new ATOM 0 HB ILE B 46 9.519 -0.204 8.407 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.337 -2.387 8.450 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.277 -1.066 8.902 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.526 1.176 7.779 1.00 0.45 H new ATOM 0 HG22 ILE B 46 8.883 1.467 6.664 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.528 0.427 6.164 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.154 -2.579 7.289 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.386 -0.967 6.574 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.463 -2.307 6.115 1.00 0.38 H new ATOM 1994 N GLU B 47 11.769 0.126 6.916 1.00 0.38 N ATOM 1995 CA GLU B 47 12.772 1.070 6.614 1.00 0.47 C ATOM 1996 C GLU B 47 13.506 0.712 5.401 1.00 0.51 C ATOM 1997 O GLU B 47 13.872 1.630 4.638 1.00 0.62 O ATOM 1998 CB GLU B 47 13.762 1.098 7.779 1.00 0.50 C ATOM 1999 CG GLU B 47 13.049 1.603 9.034 1.00 0.51 C ATOM 2000 CD GLU B 47 13.994 1.639 10.146 1.00 0.55 C ATOM 2001 OE1 GLU B 47 15.024 2.343 10.067 1.00 1.11 O ATOM 2002 OE2 GLU B 47 13.767 0.976 11.181 1.00 1.19 O ATOM 0 H GLU B 47 11.892 -0.348 7.811 1.00 0.38 H new ATOM 0 HA GLU B 47 12.298 2.039 6.456 1.00 0.47 H new ATOM 0 HB2 GLU B 47 14.166 0.101 7.952 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.605 1.746 7.540 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.639 2.598 8.858 1.00 0.51 H new ATOM 0 HG3 GLU B 47 12.210 0.951 9.276 1.00 0.51 H new ATOM 2009 N ARG B 48 13.794 -0.569 5.114 1.00 0.48 N ATOM 2010 CA ARG B 48 14.518 -0.907 3.945 1.00 0.55 C ATOM 2011 C ARG B 48 13.854 -0.468 2.720 1.00 0.60 C ATOM 2012 O ARG B 48 14.474 0.279 1.932 1.00 0.68 O ATOM 2013 CB ARG B 48 14.747 -2.417 3.863 1.00 0.56 C ATOM 2014 CG ARG B 48 16.100 -2.744 4.496 1.00 0.62 C ATOM 2015 CD ARG B 48 16.041 -2.475 5.998 1.00 0.60 C ATOM 2016 NE ARG B 48 17.311 -2.675 6.576 1.00 0.71 N ATOM 2017 CZ ARG B 48 17.459 -2.521 7.899 1.00 0.80 C ATOM 2018 NH1 ARG B 48 16.397 -2.199 8.649 1.00 0.79 N ATOM 2019 NH2 ARG B 48 18.661 -2.691 8.466 1.00 0.94 N ATOM 0 H ARG B 48 13.523 -1.363 5.694 1.00 0.48 H new ATOM 0 HA ARG B 48 15.471 -0.384 4.023 1.00 0.55 H new ATOM 0 HB2 ARG B 48 13.949 -2.949 4.382 1.00 0.56 H new ATOM 0 HB3 ARG B 48 14.727 -2.746 2.824 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.356 -3.788 4.313 1.00 0.62 H new ATOM 0 HG3 ARG B 48 16.883 -2.139 4.038 1.00 0.62 H new ATOM 0 HD2 ARG B 48 15.707 -1.453 6.180 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.312 -3.137 6.465 1.00 0.60 H new ATOM 0 HE ARG B 48 18.108 -2.934 5.994 1.00 0.71 H new ATOM 0 HH11 ARG B 48 15.484 -2.073 8.213 1.00 0.79 H new ATOM 0 HH12 ARG B 48 16.501 -2.080 9.657 1.00 0.79 H new ATOM 0 HH21 ARG B 48 19.466 -2.938 7.890 1.00 0.94 H new ATOM 0 HH22 ARG B 48 18.771 -2.573 9.473 1.00 0.94 H new ATOM 2033 N TRP B 49 12.625 -0.881 2.380 1.00 0.56 N ATOM 2034 CA TRP B 49 12.088 -0.412 1.161 1.00 0.64 C ATOM 2035 C TRP B 49 11.795 1.016 1.229 1.00 0.69 C ATOM 2036 O TRP B 49 11.860 1.695 0.182 1.00 0.81 O ATOM 2037 CB TRP B 49 10.821 -1.149 0.734 1.00 0.75 C ATOM 2038 CG TRP B 49 10.426 -0.566 -0.545 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.236 0.086 -0.852 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.206 -0.493 -1.687 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.290 0.524 -2.122 1.00 1.29 N ATOM 2042 CE2 TRP B 49 10.480 0.187 -2.641 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.486 -0.961 -1.936 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 11.003 0.434 -3.901 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 13.023 -0.719 -3.199 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.290 -0.031 -4.168 1.00 3.63 C ATOM 0 H TRP B 49 12.032 -1.509 2.923 1.00 0.56 H new ATOM 0 HA TRP B 49 12.858 -0.606 0.415 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.007 -2.218 0.634 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.032 -1.031 1.477 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.402 0.219 -0.178 1.00 0.90 H new ATOM 0 HE1 TRP B 49 8.550 1.028 -2.609 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.046 -1.493 -1.181 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 10.434 0.967 -4.648 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 14.018 -1.068 -3.431 1.00 3.66 H new ATOM 0 HH2 TRP B 49 12.727 0.144 -5.140 1.00 3.63 H new ATOM 2057 N PHE B 50 11.424 1.583 2.385 1.00 0.65 N ATOM 2058 CA PHE B 50 11.105 2.956 2.466 1.00 0.72 C ATOM 2059 C PHE B 50 12.231 3.773 2.010 1.00 0.78 C ATOM 2060 O PHE B 50 12.038 4.714 1.209 1.00 0.89 O ATOM 2061 CB PHE B 50 10.798 3.292 3.927 1.00 0.72 C ATOM 2062 CG PHE B 50 10.349 4.675 4.052 1.00 0.86 C ATOM 2063 CD1 PHE B 50 9.057 5.015 3.667 1.00 1.66 C ATOM 2064 CD2 PHE B 50 11.200 5.646 4.566 1.00 1.33 C ATOM 2065 CE1 PHE B 50 8.611 6.324 3.806 1.00 2.06 C ATOM 2066 CE2 PHE B 50 10.757 6.958 4.695 1.00 1.54 C ATOM 2067 CZ PHE B 50 9.463 7.296 4.318 1.00 1.68 C ATOM 0 H PHE B 50 11.347 1.079 3.268 1.00 0.65 H new ATOM 0 HA PHE B 50 10.244 3.167 1.831 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.030 2.619 4.307 1.00 0.72 H new ATOM 0 HB3 PHE B 50 11.688 3.136 4.537 1.00 0.72 H new ATOM 0 HD1 PHE B 50 8.399 4.261 3.260 1.00 1.66 H new ATOM 0 HD2 PHE B 50 12.204 5.382 4.865 1.00 1.33 H new ATOM 0 HE1 PHE B 50 7.604 6.586 3.517 1.00 2.06 H new ATOM 0 HE2 PHE B 50 11.419 7.715 5.089 1.00 1.54 H new ATOM 0 HZ PHE B 50 9.119 8.314 4.423 1.00 1.68 H new ATOM 2077 N ARG B 51 13.473 3.543 2.460 1.00 0.75 N ATOM 2078 CA ARG B 51 14.536 4.352 2.008 1.00 0.82 C ATOM 2079 C ARG B 51 14.958 3.952 0.663 1.00 0.87 C ATOM 2080 O ARG B 51 15.300 4.837 -0.148 1.00 0.99 O ATOM 2081 CB ARG B 51 15.683 4.358 3.026 1.00 0.80 C ATOM 2082 CG ARG B 51 16.343 2.987 3.187 1.00 0.78 C ATOM 2083 CD ARG B 51 17.570 2.899 2.277 1.00 1.15 C ATOM 2084 NE ARG B 51 18.220 1.664 2.481 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.538 1.631 2.723 1.00 1.92 C ATOM 2086 NH1 ARG B 51 20.241 2.771 2.776 1.00 2.22 N ATOM 2087 NH2 ARG B 51 20.156 0.457 2.912 1.00 2.46 N ATOM 0 H ARG B 51 13.730 2.811 3.123 1.00 0.75 H new ATOM 0 HA ARG B 51 14.191 5.383 1.927 1.00 0.82 H new ATOM 0 HB2 ARG B 51 16.435 5.083 2.715 1.00 0.80 H new ATOM 0 HB3 ARG B 51 15.303 4.688 3.993 1.00 0.80 H new ATOM 0 HG2 ARG B 51 16.636 2.833 4.226 1.00 0.78 H new ATOM 0 HG3 ARG B 51 15.634 2.199 2.935 1.00 0.78 H new ATOM 0 HD2 ARG B 51 17.270 2.996 1.234 1.00 1.15 H new ATOM 0 HD3 ARG B 51 18.253 3.721 2.490 1.00 1.15 H new ATOM 0 HE ARG B 51 17.687 0.795 2.444 1.00 1.48 H new ATOM 0 HH11 ARG B 51 19.773 3.666 2.632 1.00 2.22 H new ATOM 0 HH12 ARG B 51 21.244 2.744 2.960 1.00 2.22 H new ATOM 0 HH21 ARG B 51 19.623 -0.412 2.872 1.00 2.46 H new ATOM 0 HH22 ARG B 51 21.159 0.432 3.096 1.00 2.46 H new ATOM 2101 N ARG B 52 14.959 2.669 0.264 1.00 0.84 N ATOM 2102 CA ARG B 52 15.347 2.338 -1.058 1.00 0.98 C ATOM 2103 C ARG B 52 14.379 2.822 -2.043 1.00 1.11 C ATOM 2104 O ARG B 52 14.691 2.866 -3.251 1.00 1.27 O ATOM 2105 CB ARG B 52 15.443 0.817 -1.200 1.00 1.02 C ATOM 2106 CG ARG B 52 16.588 0.250 -0.362 1.00 1.23 C ATOM 2107 CD ARG B 52 17.912 0.415 -1.114 1.00 1.31 C ATOM 2108 NE ARG B 52 18.356 1.752 -1.067 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.325 2.156 -1.899 1.00 2.25 C ATOM 2110 NH1 ARG B 52 19.835 1.304 -2.799 1.00 2.15 N ATOM 2111 NH2 ARG B 52 19.792 3.410 -1.829 1.00 3.07 N ATOM 0 H ARG B 52 14.695 1.877 0.850 1.00 0.84 H new ATOM 0 HA ARG B 52 16.311 2.812 -1.243 1.00 0.98 H new ATOM 0 HB2 ARG B 52 14.503 0.361 -0.890 1.00 1.02 H new ATOM 0 HB3 ARG B 52 15.593 0.557 -2.248 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.638 0.764 0.598 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.408 -0.804 -0.150 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.667 -0.238 -0.676 1.00 1.31 H new ATOM 0 HD3 ARG B 52 17.786 0.106 -2.152 1.00 1.31 H new ATOM 0 HE ARG B 52 17.942 2.407 -0.404 1.00 1.79 H new ATOM 0 HH11 ARG B 52 19.485 0.347 -2.851 1.00 2.15 H new ATOM 0 HH12 ARG B 52 20.573 1.612 -3.432 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.410 4.059 -1.141 1.00 3.07 H new ATOM 0 HH22 ARG B 52 20.530 3.716 -2.463 1.00 3.07 H new ATOM 2125 N LYS B 53 13.152 3.212 -1.677 1.00 1.08 N ATOM 2126 CA LYS B 53 12.247 3.736 -2.623 1.00 1.25 C ATOM 2127 C LYS B 53 12.729 5.042 -3.072 1.00 1.35 C ATOM 2128 O LYS B 53 12.533 5.419 -4.247 1.00 1.57 O ATOM 2129 CB LYS B 53 10.889 3.840 -1.926 1.00 1.20 C ATOM 2130 CG LYS B 53 9.783 4.405 -2.823 1.00 1.31 C ATOM 2131 CD LYS B 53 9.979 5.914 -2.967 1.00 1.89 C ATOM 2132 CE LYS B 53 8.667 6.603 -3.364 1.00 2.23 C ATOM 2133 NZ LYS B 53 8.312 6.331 -4.756 1.00 2.62 N ATOM 0 H LYS B 53 12.793 3.162 -0.724 1.00 1.08 H new ATOM 0 HA LYS B 53 12.157 3.102 -3.505 1.00 1.25 H new ATOM 0 HB2 LYS B 53 10.592 2.851 -1.576 1.00 1.20 H new ATOM 0 HB3 LYS B 53 10.990 4.473 -1.044 1.00 1.20 H new ATOM 0 HG2 LYS B 53 9.812 3.927 -3.802 1.00 1.31 H new ATOM 0 HG3 LYS B 53 8.804 4.192 -2.393 1.00 1.31 H new ATOM 0 HD2 LYS B 53 10.342 6.329 -2.026 1.00 1.89 H new ATOM 0 HD3 LYS B 53 10.742 6.115 -3.719 1.00 1.89 H new ATOM 0 HE2 LYS B 53 7.864 6.261 -2.710 1.00 2.23 H new ATOM 0 HE3 LYS B 53 8.762 7.679 -3.216 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 7.411 6.799 -4.982 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 9.058 6.695 -5.382 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 8.213 5.305 -4.895 1.00 2.62 H new ATOM 2147 N GLU B 54 13.378 5.847 -2.220 1.00 1.24 N ATOM 2148 CA GLU B 54 13.835 7.112 -2.643 1.00 1.34 C ATOM 2149 C GLU B 54 15.261 7.095 -2.985 1.00 1.32 C ATOM 2150 O GLU B 54 15.633 7.517 -4.102 1.00 1.39 O ATOM 2151 CB GLU B 54 13.475 8.166 -1.590 1.00 1.34 C ATOM 2152 CG GLU B 54 14.118 7.854 -0.237 1.00 1.18 C ATOM 2153 CD GLU B 54 13.644 8.807 0.762 1.00 1.29 C ATOM 2154 OE1 GLU B 54 13.811 10.033 0.587 1.00 1.61 O ATOM 2155 OE2 GLU B 54 13.074 8.397 1.796 1.00 1.87 O ATOM 0 H GLU B 54 13.582 5.618 -1.247 1.00 1.24 H new ATOM 0 HA GLU B 54 13.327 7.384 -3.569 1.00 1.34 H new ATOM 0 HB2 GLU B 54 13.802 9.148 -1.931 1.00 1.34 H new ATOM 0 HB3 GLU B 54 12.392 8.213 -1.477 1.00 1.34 H new ATOM 0 HG2 GLU B 54 13.870 6.838 0.069 1.00 1.18 H new ATOM 0 HG3 GLU B 54 15.204 7.907 -0.318 1.00 1.18 H new ATOM 2162 N GLN B 55 16.186 6.658 -2.119 1.00 1.24 N ATOM 2163 CA GLN B 55 17.560 6.766 -2.429 1.00 1.27 C ATOM 2164 C GLN B 55 18.019 5.814 -3.441 1.00 1.34 C ATOM 2165 O GLN B 55 19.181 5.940 -3.882 1.00 1.42 O ATOM 2166 CB GLN B 55 18.388 6.542 -1.162 1.00 1.22 C ATOM 2167 CG GLN B 55 18.095 7.636 -0.134 1.00 1.35 C ATOM 2168 CD GLN B 55 18.408 8.943 -0.704 1.00 2.14 C ATOM 2169 OE1 GLN B 55 19.552 9.170 -1.154 1.00 2.60 O ATOM 2170 NE2 GLN B 55 17.468 9.896 -0.754 1.00 2.89 N ATOM 0 H GLN B 55 15.979 6.235 -1.214 1.00 1.24 H new ATOM 0 HA GLN B 55 17.695 7.768 -2.837 1.00 1.27 H new ATOM 0 HB2 GLN B 55 18.158 5.565 -0.738 1.00 1.22 H new ATOM 0 HB3 GLN B 55 19.450 6.541 -1.409 1.00 1.22 H new ATOM 0 HG2 GLN B 55 17.047 7.599 0.162 1.00 1.35 H new ATOM 0 HG3 GLN B 55 18.686 7.470 0.767 1.00 1.35 H new ATOM 0 HE21 GLN B 55 16.534 9.711 -0.387 1.00 2.89 H new ATOM 0 HE22 GLN B 55 17.686 10.806 -1.159 1.00 2.89 H new ATOM 2179 N GLN B 56 17.261 4.807 -3.901 1.00 1.34 N ATOM 2180 CA GLN B 56 17.778 3.965 -4.911 1.00 1.42 C ATOM 2181 C GLN B 56 17.863 4.702 -6.168 1.00 1.55 C ATOM 2182 O GLN B 56 18.811 4.498 -6.958 1.00 1.60 O ATOM 2183 CB GLN B 56 16.858 2.769 -5.150 1.00 1.47 C ATOM 2184 CG GLN B 56 17.476 1.876 -6.229 1.00 1.65 C ATOM 2185 CD GLN B 56 16.567 0.778 -6.548 1.00 1.83 C ATOM 2186 OE1 GLN B 56 15.444 0.714 -6.003 1.00 2.40 O ATOM 2187 NE2 GLN B 56 16.933 -0.155 -7.438 1.00 2.08 N ATOM 0 H GLN B 56 16.318 4.585 -3.581 1.00 1.34 H new ATOM 0 HA GLN B 56 18.760 3.622 -4.584 1.00 1.42 H new ATOM 0 HB2 GLN B 56 16.724 2.206 -4.226 1.00 1.47 H new ATOM 0 HB3 GLN B 56 15.871 3.109 -5.462 1.00 1.47 H new ATOM 0 HG2 GLN B 56 17.680 2.462 -7.125 1.00 1.65 H new ATOM 0 HG3 GLN B 56 18.431 1.480 -5.883 1.00 1.65 H new ATOM 0 HE21 GLN B 56 17.849 -0.104 -7.883 1.00 2.08 H new ATOM 0 HE22 GLN B 56 16.295 -0.916 -7.670 1.00 2.08 H new ATOM 2196 N ILE B 57 16.897 5.575 -6.480 1.00 1.64 N ATOM 2197 CA ILE B 57 16.915 6.245 -7.718 1.00 1.81 C ATOM 2198 C ILE B 57 17.575 7.540 -7.596 1.00 1.89 C ATOM 2199 O ILE B 57 18.013 8.096 -8.626 1.00 2.07 O ATOM 2200 CB ILE B 57 15.473 6.440 -8.183 1.00 1.88 C ATOM 2201 CG1 ILE B 57 15.279 7.868 -8.695 1.00 2.08 C ATOM 2202 CG2 ILE B 57 14.563 6.214 -6.975 1.00 1.87 C ATOM 2203 CD1 ILE B 57 15.827 7.980 -10.119 1.00 2.66 C ATOM 0 H ILE B 57 16.111 5.810 -5.874 1.00 1.64 H new ATOM 0 HA ILE B 57 17.470 5.651 -8.444 1.00 1.81 H new ATOM 0 HB ILE B 57 15.238 5.743 -8.987 1.00 1.88 H new ATOM 0 HG12 ILE B 57 14.221 8.130 -8.680 1.00 2.08 H new ATOM 0 HG13 ILE B 57 15.792 8.573 -8.040 1.00 2.08 H new ATOM 0 HG21 ILE B 57 13.523 6.346 -7.273 1.00 1.87 H new ATOM 0 HG22 ILE B 57 14.706 5.202 -6.596 1.00 1.87 H new ATOM 0 HG23 ILE B 57 14.810 6.933 -6.194 1.00 1.87 H new ATOM 0 HD11 ILE B 57 15.688 8.998 -10.483 1.00 2.66 H new ATOM 0 HD12 ILE B 57 16.889 7.736 -10.120 1.00 2.66 H new ATOM 0 HD13 ILE B 57 15.294 7.286 -10.769 1.00 2.66 H new ATOM 2215 N GLY B 58 17.693 8.159 -6.413 1.00 1.79 N ATOM 2216 CA GLY B 58 18.320 9.421 -6.376 1.00 1.90 C ATOM 2217 C GLY B 58 17.398 10.422 -5.850 1.00 1.88 C ATOM 2218 O GLY B 58 17.661 11.632 -6.018 1.00 1.99 O ATOM 0 H GLY B 58 17.366 7.797 -5.518 1.00 1.79 H new ATOM 0 HA2 GLY B 58 19.213 9.374 -5.753 1.00 1.90 H new ATOM 0 HA3 GLY B 58 18.645 9.704 -7.377 1.00 1.90 H new ATOM 2222 N TRP B 59 16.300 10.025 -5.187 1.00 1.76 N ATOM 2223 CA TRP B 59 15.354 10.920 -4.634 1.00 1.74 C ATOM 2224 C TRP B 59 14.338 11.310 -5.612 1.00 1.83 C ATOM 2225 O TRP B 59 13.387 12.022 -5.227 1.00 1.90 O ATOM 2226 CB TRP B 59 15.984 12.170 -4.016 1.00 1.80 C ATOM 2227 CG TRP B 59 14.952 12.877 -3.265 1.00 2.05 C ATOM 2228 CD1 TRP B 59 14.437 12.517 -2.022 1.00 2.09 C ATOM 2229 CD2 TRP B 59 14.314 14.054 -3.620 1.00 2.50 C ATOM 2230 NE1 TRP B 59 13.527 13.433 -1.646 1.00 2.57 N ATOM 2231 CE2 TRP B 59 13.441 14.371 -2.601 1.00 2.86 C ATOM 2232 CE3 TRP B 59 14.441 14.849 -4.749 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 12.650 15.508 -2.659 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 13.651 15.995 -4.818 1.00 3.32 C ATOM 2235 CH2 TRP B 59 12.768 16.320 -3.786 1.00 3.70 C ATOM 0 H TRP B 59 16.069 9.043 -5.034 1.00 1.76 H new ATOM 0 HA TRP B 59 14.878 10.364 -3.826 1.00 1.74 H new ATOM 0 HB2 TRP B 59 16.810 11.895 -3.360 1.00 1.80 H new ATOM 0 HB3 TRP B 59 16.395 12.813 -4.794 1.00 1.80 H new ATOM 0 HD1 TRP B 59 14.722 11.644 -1.453 1.00 2.09 H new ATOM 0 HE1 TRP B 59 12.991 13.417 -0.778 1.00 2.57 H new ATOM 0 HE3 TRP B 59 15.125 14.590 -5.544 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 11.967 15.756 -1.860 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 13.723 16.640 -5.681 1.00 3.32 H new ATOM 0 HH2 TRP B 59 12.167 17.214 -3.862 1.00 3.70 H new ATOM 2246 N SER B 60 14.396 10.949 -6.905 1.00 1.88 N ATOM 2247 CA SER B 60 13.322 11.289 -7.762 1.00 1.98 C ATOM 2248 C SER B 60 12.229 10.346 -7.518 1.00 1.92 C ATOM 2249 O SER B 60 11.076 10.602 -7.926 1.00 1.97 O ATOM 2250 CB SER B 60 13.747 11.232 -9.230 1.00 2.09 C ATOM 2251 OG SER B 60 14.759 12.200 -9.466 1.00 2.16 O ATOM 0 H SER B 60 15.164 10.438 -7.340 1.00 1.88 H new ATOM 0 HA SER B 60 13.001 12.310 -7.554 1.00 1.98 H new ATOM 0 HB2 SER B 60 14.117 10.236 -9.475 1.00 2.09 H new ATOM 0 HB3 SER B 60 12.890 11.421 -9.876 1.00 2.09 H new ATOM 0 HG SER B 60 15.034 12.164 -10.406 1.00 2.16 H new ATOM 2257 N HIS B 61 12.512 9.217 -6.848 1.00 1.87 N ATOM 2258 CA HIS B 61 11.572 8.264 -6.390 1.00 1.91 C ATOM 2259 C HIS B 61 10.405 7.959 -7.227 1.00 1.97 C ATOM 2260 O HIS B 61 9.272 8.050 -6.706 1.00 2.60 O ATOM 2261 CB HIS B 61 11.114 8.674 -4.985 1.00 2.75 C ATOM 2262 CG HIS B 61 10.320 9.901 -4.981 1.00 3.15 C ATOM 2263 ND1 HIS B 61 10.776 11.159 -4.935 1.00 4.13 N ATOM 2264 CD2 HIS B 61 8.935 9.973 -4.999 1.00 3.11 C ATOM 2265 CE1 HIS B 61 9.726 11.994 -4.942 1.00 4.69 C ATOM 2266 NE2 HIS B 61 8.599 11.269 -4.982 1.00 4.06 N ATOM 0 H HIS B 61 13.471 8.959 -6.613 1.00 1.87 H new ATOM 0 HA HIS B 61 12.122 7.324 -6.419 1.00 1.91 H new ATOM 0 HB2 HIS B 61 10.527 7.866 -4.550 1.00 2.75 H new ATOM 0 HB3 HIS B 61 11.988 8.811 -4.349 1.00 2.75 H new ATOM 0 HD1 HIS B 61 11.757 11.436 -4.900 1.00 4.13 H new ATOM 0 HD2 HIS B 61 8.252 9.137 -5.022 1.00 3.11 H new ATOM 0 HE1 HIS B 61 9.780 13.072 -4.919 1.00 4.69 H new ATOM 2275 N PRO B 62 10.481 7.557 -8.507 1.00 1.93 N ATOM 2276 CA PRO B 62 9.330 7.194 -9.247 1.00 2.45 C ATOM 2277 C PRO B 62 9.019 5.795 -9.122 1.00 2.06 C ATOM 2278 O PRO B 62 8.170 5.327 -9.859 1.00 2.31 O ATOM 2279 CB PRO B 62 9.770 7.436 -10.687 1.00 3.15 C ATOM 2280 CG PRO B 62 11.243 7.035 -10.637 1.00 2.98 C ATOM 2281 CD PRO B 62 11.702 7.475 -9.244 1.00 2.10 C ATOM 0 HA PRO B 62 8.451 7.747 -8.915 1.00 2.45 H new ATOM 0 HB2 PRO B 62 9.205 6.829 -11.394 1.00 3.15 H new ATOM 0 HB3 PRO B 62 9.640 8.476 -10.985 1.00 3.15 H new ATOM 0 HG2 PRO B 62 11.369 5.961 -10.778 1.00 2.98 H new ATOM 0 HG3 PRO B 62 11.818 7.529 -11.421 1.00 2.98 H new ATOM 0 HD2 PRO B 62 12.391 6.756 -8.802 1.00 2.10 H new ATOM 0 HD3 PRO B 62 12.219 8.434 -9.275 1.00 2.10 H new ATOM 2289 N GLN B 63 9.643 5.033 -8.253 1.00 1.69 N ATOM 2290 CA GLN B 63 9.512 3.620 -8.200 1.00 1.51 C ATOM 2291 C GLN B 63 8.189 3.068 -8.515 1.00 1.56 C ATOM 2292 O GLN B 63 8.066 2.355 -9.536 1.00 1.92 O ATOM 2293 CB GLN B 63 9.886 3.180 -6.784 1.00 1.70 C ATOM 2294 CG GLN B 63 11.250 3.758 -6.402 1.00 2.04 C ATOM 2295 CD GLN B 63 12.321 3.013 -7.055 1.00 2.56 C ATOM 2296 OE1 GLN B 63 12.341 2.889 -8.299 1.00 3.20 O ATOM 2297 NE2 GLN B 63 13.282 2.455 -6.305 1.00 2.72 N ATOM 0 H GLN B 63 10.275 5.407 -7.545 1.00 1.69 H new ATOM 0 HA GLN B 63 10.167 3.236 -8.982 1.00 1.51 H new ATOM 0 HB2 GLN B 63 9.128 3.517 -6.077 1.00 1.70 H new ATOM 0 HB3 GLN B 63 9.914 2.092 -6.727 1.00 1.70 H new ATOM 0 HG2 GLN B 63 11.301 4.808 -6.691 1.00 2.04 H new ATOM 0 HG3 GLN B 63 11.378 3.718 -5.320 1.00 2.04 H new ATOM 0 HE21 GLN B 63 13.262 2.559 -5.290 1.00 2.72 H new ATOM 0 HE22 GLN B 63 14.033 1.927 -6.749 1.00 2.72 H new ATOM 2306 N PHE B 64 7.124 3.241 -7.715 1.00 1.50 N ATOM 2307 CA PHE B 64 5.876 2.681 -8.084 1.00 1.63 C ATOM 2308 C PHE B 64 4.934 3.730 -8.456 1.00 1.91 C ATOM 2309 O PHE B 64 3.771 3.421 -8.792 1.00 2.60 O ATOM 2310 CB PHE B 64 5.264 1.874 -6.936 1.00 1.89 C ATOM 2311 CG PHE B 64 6.028 0.660 -6.662 1.00 3.00 C ATOM 2312 CD1 PHE B 64 7.151 0.686 -5.842 1.00 3.73 C ATOM 2313 CD2 PHE B 64 5.584 -0.547 -7.188 1.00 3.61 C ATOM 2314 CE1 PHE B 64 7.830 -0.494 -5.560 1.00 4.94 C ATOM 2315 CE2 PHE B 64 6.257 -1.727 -6.899 1.00 4.84 C ATOM 2316 CZ PHE B 64 7.382 -1.700 -6.085 1.00 5.47 C ATOM 0 H PHE B 64 7.130 3.756 -6.835 1.00 1.50 H new ATOM 0 HA PHE B 64 6.061 2.021 -8.932 1.00 1.63 H new ATOM 0 HB2 PHE B 64 5.226 2.490 -6.038 1.00 1.89 H new ATOM 0 HB3 PHE B 64 4.236 1.609 -7.185 1.00 1.89 H new ATOM 0 HD1 PHE B 64 7.495 1.621 -5.425 1.00 3.73 H new ATOM 0 HD2 PHE B 64 4.712 -0.568 -7.824 1.00 3.61 H new ATOM 0 HE1 PHE B 64 8.708 -0.473 -4.931 1.00 4.94 H new ATOM 0 HE2 PHE B 64 5.906 -2.664 -7.306 1.00 4.84 H new ATOM 0 HZ PHE B 64 7.908 -2.616 -5.860 1.00 5.47 H new ATOM 2326 N GLU B 65 5.305 5.016 -8.444 1.00 2.14 N ATOM 2327 CA GLU B 65 4.379 6.017 -8.803 1.00 2.99 C ATOM 2328 C GLU B 65 4.614 6.431 -10.183 1.00 3.60 C ATOM 2329 O GLU B 65 3.873 7.287 -10.712 1.00 4.49 O ATOM 2330 CB GLU B 65 4.511 7.185 -7.826 1.00 3.51 C ATOM 2331 CG GLU B 65 5.913 7.783 -7.926 1.00 3.70 C ATOM 2332 CD GLU B 65 6.135 8.666 -6.787 1.00 4.67 C ATOM 2333 OE1 GLU B 65 6.112 8.193 -5.629 1.00 5.13 O ATOM 2334 OE2 GLU B 65 6.350 9.885 -6.968 1.00 5.30 O ATOM 0 H GLU B 65 6.233 5.353 -8.189 1.00 2.14 H new ATOM 0 HA GLU B 65 3.359 5.636 -8.745 1.00 2.99 H new ATOM 0 HB2 GLU B 65 3.764 7.946 -8.051 1.00 3.51 H new ATOM 0 HB3 GLU B 65 4.322 6.844 -6.808 1.00 3.51 H new ATOM 0 HG2 GLU B 65 6.661 6.990 -7.939 1.00 3.70 H new ATOM 0 HG3 GLU B 65 6.020 8.337 -8.858 1.00 3.70 H new ATOM 2341 N LYS B 66 5.621 5.880 -10.876 1.00 3.37 N ATOM 2342 CA LYS B 66 5.846 6.202 -12.230 1.00 4.26 C ATOM 2343 C LYS B 66 4.645 5.953 -13.023 1.00 5.05 C ATOM 2344 O LYS B 66 4.122 4.818 -13.032 1.00 5.15 O ATOM 2345 CB LYS B 66 6.981 5.317 -12.743 1.00 4.08 C ATOM 2346 CG LYS B 66 6.552 3.853 -12.626 1.00 3.92 C ATOM 2347 CD LYS B 66 7.694 2.946 -13.080 1.00 4.31 C ATOM 2348 CE LYS B 66 7.247 1.487 -12.980 1.00 4.82 C ATOM 2349 NZ LYS B 66 8.344 0.611 -13.387 1.00 5.28 N ATOM 2350 OXT LYS B 66 4.144 6.875 -13.702 1.00 5.88 O ATOM 0 H LYS B 66 6.280 5.206 -10.487 1.00 3.37 H new ATOM 0 HA LYS B 66 6.104 7.257 -12.318 1.00 4.26 H new ATOM 0 HB2 LYS B 66 7.212 5.562 -13.780 1.00 4.08 H new ATOM 0 HB3 LYS B 66 7.888 5.492 -12.165 1.00 4.08 H new ATOM 0 HG2 LYS B 66 6.281 3.624 -11.595 1.00 3.92 H new ATOM 0 HG3 LYS B 66 5.667 3.673 -13.236 1.00 3.92 H new ATOM 0 HD2 LYS B 66 7.977 3.183 -14.106 1.00 4.31 H new ATOM 0 HD3 LYS B 66 8.575 3.112 -12.460 1.00 4.31 H new ATOM 0 HE2 LYS B 66 6.945 1.258 -11.958 1.00 4.82 H new ATOM 0 HE3 LYS B 66 6.378 1.318 -13.615 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 8.040 -0.381 -13.319 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 8.612 0.824 -14.369 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 9.162 0.766 -12.763 1.00 5.28 H new TER 2364 LYS B 66