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 60 SER OG : rot 92:sc= 0.372 USER MOD Set 1.2: B 61 HIS : no HD1:sc= 0.623 K(o=0.99,f=-4.8!) USER MOD Set 2.1: B 1 MET CE :methyl -141:sc= -0.543 (180deg=-3.23!) USER MOD Set 2.2: B 10 SER OG : rot -116:sc= -0.143 USER MOD Set 3.1: A 60 SER OG : rot 93:sc= 0.283 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.624 K(o=0.91,f=-4.9!) USER MOD Set 4.1: A 1 MET CE :methyl -141:sc= -0.511 (180deg=-3.25!) USER MOD Set 4.2: A 10 SER OG : rot -116:sc= -0.149 USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0953 (180deg=-0.766) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0.767 (180deg=0.655) USER MOD Single : A 7 THR OG1 : rot 10:sc= 0.442 USER MOD Single : A 13 GLN : amide:sc= 0.311 K(o=0.31,f=-7.3!) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0.905 (180deg=0.466) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0.313 (180deg=0.313) USER MOD Single : A 22 TYR OH : rot -102:sc= 0.159 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0812 USER MOD Single : A 34 TYR OH : rot -174:sc= 0.732 USER MOD Single : A 36 SER OG : rot 164:sc= 0.339 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 42 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= -5.57! (180deg=-8.64!) USER MOD Single : A 55 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.26) USER MOD Single : A 56 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 63 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.0035) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.0407 (180deg=-0.427) USER MOD Single : B 1 MET N :NH3+ -160:sc= -0.163 (180deg=-0.932) USER MOD Single : B 3 LYS NZ :NH3+ 169:sc= 0.762 (180deg=0.661) USER MOD Single : B 7 THR OG1 : rot 13:sc= 0.255 USER MOD Single : B 13 GLN : amide:sc= 0.298 K(o=0.3,f=-7.4!) USER MOD Single : B 14 LYS NZ :NH3+ 155:sc= 0.892 (180deg=0.418) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0.497 (180deg=0.497) USER MOD Single : B 22 TYR OH : rot -102:sc= 0.123 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 TYR OH : rot -167:sc= 0.797 USER MOD Single : B 36 SER OG : rot 162:sc= 0.197 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : B 42 ASN : amide:sc= -0.285 K(o=-0.29,f=-2.1!) USER MOD Single : B 45 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.16) USER MOD Single : B 53 LYS NZ :NH3+ -138:sc= -5.19! (180deg=-8.33!) USER MOD Single : B 55 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.21) USER MOD Single : B 56 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : B 63 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 164:sc=-0.00776 (180deg=-0.451) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.762 -15.259 5.027 1.00 4.10 N ATOM 2 CA MET A 1 -6.440 -14.746 3.696 1.00 3.64 C ATOM 3 C MET A 1 -4.990 -14.611 3.583 1.00 3.20 C ATOM 4 O MET A 1 -4.386 -13.822 4.341 1.00 3.61 O ATOM 5 CB MET A 1 -7.095 -13.374 3.519 1.00 4.44 C ATOM 6 CG MET A 1 -8.605 -13.500 3.734 1.00 5.32 C ATOM 7 SD MET A 1 -9.311 -14.611 2.507 1.00 5.98 S ATOM 8 CE MET A 1 -8.934 -13.474 1.165 1.00 6.70 C ATOM 0 H1 MET A 1 -7.715 -15.675 5.017 1.00 4.10 H new ATOM 0 H2 MET A 1 -6.069 -15.987 5.296 1.00 4.10 H new ATOM 0 H3 MET A 1 -6.731 -14.481 5.716 1.00 4.10 H new ATOM 0 HA MET A 1 -6.808 -15.428 2.929 1.00 3.64 H new ATOM 0 HB2 MET A 1 -6.673 -12.663 4.230 1.00 4.44 H new ATOM 0 HB3 MET A 1 -6.890 -12.987 2.521 1.00 4.44 H new ATOM 0 HG2 MET A 1 -8.808 -13.876 4.737 1.00 5.32 H new ATOM 0 HG3 MET A 1 -9.074 -12.519 3.661 1.00 5.32 H new ATOM 0 HE1 MET A 1 -9.754 -13.474 0.447 1.00 6.70 H new ATOM 0 HE2 MET A 1 -8.802 -12.469 1.566 1.00 6.70 H new ATOM 0 HE3 MET A 1 -8.017 -13.789 0.668 1.00 6.70 H new ATOM 20 N GLU A 2 -4.302 -15.337 2.690 1.00 2.52 N ATOM 21 CA GLU A 2 -2.898 -15.207 2.617 1.00 2.21 C ATOM 22 C GLU A 2 -2.473 -14.904 1.254 1.00 1.84 C ATOM 23 O GLU A 2 -1.275 -14.623 1.034 1.00 1.98 O ATOM 24 CB GLU A 2 -2.242 -16.516 3.058 1.00 2.47 C ATOM 25 CG GLU A 2 -2.657 -17.643 2.109 1.00 2.84 C ATOM 26 CD GLU A 2 -2.085 -18.900 2.580 1.00 3.40 C ATOM 27 OE1 GLU A 2 -2.413 -19.352 3.699 1.00 3.98 O ATOM 28 OE2 GLU A 2 -1.263 -19.522 1.873 1.00 3.74 O ATOM 0 H GLU A 2 -4.714 -16.000 2.033 1.00 2.52 H new ATOM 0 HA GLU A 2 -2.595 -14.390 3.272 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -1.157 -16.409 3.059 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -2.539 -16.758 4.078 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -3.744 -17.717 2.066 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -2.312 -17.429 1.097 1.00 2.84 H new ATOM 35 N LYS A 3 -3.344 -14.948 0.236 1.00 1.84 N ATOM 36 CA LYS A 3 -2.900 -14.691 -1.077 1.00 1.95 C ATOM 37 C LYS A 3 -4.032 -14.337 -1.927 1.00 1.67 C ATOM 38 O LYS A 3 -5.192 -14.481 -1.488 1.00 1.92 O ATOM 39 CB LYS A 3 -2.202 -15.934 -1.631 1.00 2.60 C ATOM 40 CG LYS A 3 -3.225 -17.066 -1.750 1.00 3.26 C ATOM 41 CD LYS A 3 -2.506 -18.371 -2.097 1.00 3.92 C ATOM 42 CE LYS A 3 -1.874 -18.257 -3.485 1.00 4.14 C ATOM 43 NZ LYS A 3 -1.166 -19.498 -3.795 1.00 4.84 N ATOM 0 H LYS A 3 -4.338 -15.159 0.327 1.00 1.84 H new ATOM 0 HA LYS A 3 -2.197 -13.858 -1.062 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -1.764 -15.718 -2.606 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -1.385 -16.232 -0.974 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -3.770 -17.177 -0.813 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -3.959 -16.827 -2.520 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -1.738 -18.583 -1.353 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -3.210 -19.203 -2.074 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -2.643 -18.067 -4.233 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -1.184 -17.414 -3.515 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -0.880 -19.494 -4.795 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -0.321 -19.575 -3.194 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -1.793 -20.309 -3.617 1.00 4.84 H new ATOM 57 N ARG A 4 -3.799 -13.850 -3.155 1.00 1.50 N ATOM 58 CA ARG A 4 -4.831 -13.470 -4.045 1.00 1.29 C ATOM 59 C ARG A 4 -5.815 -14.533 -4.248 1.00 1.50 C ATOM 60 O ARG A 4 -5.463 -15.562 -4.866 1.00 1.81 O ATOM 61 CB ARG A 4 -4.135 -13.185 -5.379 1.00 1.45 C ATOM 62 CG ARG A 4 -5.113 -12.821 -6.498 1.00 1.70 C ATOM 63 CD ARG A 4 -4.268 -12.560 -7.749 1.00 2.73 C ATOM 64 NE ARG A 4 -5.069 -12.365 -8.892 1.00 3.33 N ATOM 65 CZ ARG A 4 -4.471 -12.265 -10.089 1.00 4.45 C ATOM 66 NH1 ARG A 4 -3.135 -12.329 -10.171 1.00 5.09 N ATOM 67 NH2 ARG A 4 -5.195 -12.107 -11.205 1.00 5.20 N ATOM 0 H ARG A 4 -2.861 -13.719 -3.535 1.00 1.50 H new ATOM 0 HA ARG A 4 -5.372 -12.614 -3.642 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -3.425 -12.369 -5.245 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -3.560 -14.062 -5.677 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -5.822 -13.630 -6.671 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -5.695 -11.939 -6.232 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -3.644 -11.681 -7.589 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -3.596 -13.402 -7.916 1.00 2.73 H new ATOM 0 HE ARG A 4 -6.084 -12.301 -8.811 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -2.578 -12.453 -9.326 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -2.676 -12.254 -11.079 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -6.213 -12.061 -11.151 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -4.729 -12.032 -12.109 1.00 5.20 H new ATOM 81 N PRO A 5 -7.066 -14.426 -3.767 1.00 1.56 N ATOM 82 CA PRO A 5 -8.061 -15.406 -4.001 1.00 1.84 C ATOM 83 C PRO A 5 -8.582 -15.337 -5.339 1.00 1.57 C ATOM 84 O PRO A 5 -8.195 -16.111 -6.199 1.00 1.86 O ATOM 85 CB PRO A 5 -9.129 -15.076 -2.958 1.00 2.15 C ATOM 86 CG PRO A 5 -8.967 -13.571 -2.747 1.00 2.06 C ATOM 87 CD PRO A 5 -7.482 -13.304 -2.987 1.00 1.65 C ATOM 0 HA PRO A 5 -7.680 -16.423 -3.912 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -10.128 -15.326 -3.314 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -8.972 -15.630 -2.033 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -9.588 -13.005 -3.441 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -9.265 -13.278 -1.740 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -7.323 -12.365 -3.517 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -6.929 -13.239 -2.050 1.00 1.65 H new ATOM 95 N ARG A 6 -9.520 -14.466 -5.625 1.00 1.20 N ATOM 96 CA ARG A 6 -10.065 -14.340 -6.919 1.00 1.13 C ATOM 97 C ARG A 6 -10.137 -12.916 -7.240 1.00 1.07 C ATOM 98 O ARG A 6 -11.257 -12.368 -7.327 1.00 1.44 O ATOM 99 CB ARG A 6 -11.486 -14.908 -6.944 1.00 1.21 C ATOM 100 CG ARG A 6 -11.461 -16.410 -6.653 1.00 1.55 C ATOM 101 CD ARG A 6 -12.893 -16.948 -6.654 1.00 1.87 C ATOM 102 NE ARG A 6 -13.465 -16.745 -7.927 1.00 2.69 N ATOM 103 CZ ARG A 6 -14.630 -16.095 -8.046 1.00 3.24 C ATOM 104 NH1 ARG A 6 -15.256 -15.629 -6.956 1.00 3.20 N ATOM 105 NH2 ARG A 6 -15.171 -15.909 -9.258 1.00 4.22 N ATOM 0 H ARG A 6 -9.920 -13.823 -4.941 1.00 1.20 H new ATOM 0 HA ARG A 6 -9.445 -14.879 -7.635 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -12.102 -14.397 -6.204 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -11.941 -14.727 -7.918 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -10.865 -16.928 -7.404 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -10.990 -16.598 -5.688 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -12.895 -18.010 -6.406 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -13.485 -16.442 -5.891 1.00 1.87 H new ATOM 0 HE ARG A 6 -12.990 -17.094 -8.759 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -14.845 -15.769 -6.033 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -16.143 -15.134 -7.050 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -14.696 -16.262 -10.088 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -16.058 -15.414 -9.350 1.00 4.22 H new ATOM 119 N THR A 7 -9.000 -12.231 -7.436 1.00 0.98 N ATOM 120 CA THR A 7 -8.960 -10.849 -7.748 1.00 0.88 C ATOM 121 C THR A 7 -9.842 -10.033 -6.914 1.00 0.88 C ATOM 122 O THR A 7 -10.627 -9.227 -7.461 1.00 0.89 O ATOM 123 CB THR A 7 -9.365 -10.628 -9.209 1.00 0.87 C ATOM 124 OG1 THR A 7 -10.699 -11.062 -9.426 1.00 0.95 O ATOM 125 CG2 THR A 7 -8.437 -11.423 -10.126 1.00 0.90 C ATOM 0 H THR A 7 -8.077 -12.660 -7.374 1.00 0.98 H new ATOM 0 HA THR A 7 -7.933 -10.536 -7.561 1.00 0.88 H new ATOM 0 HB THR A 7 -9.290 -9.563 -9.429 1.00 0.87 H new ATOM 0 HG1 THR A 7 -11.121 -11.264 -8.565 1.00 0.95 H new ATOM 0 HG21 THR A 7 -8.728 -11.264 -11.164 1.00 0.90 H new ATOM 0 HG22 THR A 7 -7.409 -11.089 -9.982 1.00 0.90 H new ATOM 0 HG23 THR A 7 -8.511 -12.484 -9.887 1.00 0.90 H new ATOM 133 N GLU A 8 -9.809 -10.115 -5.577 1.00 0.91 N ATOM 134 CA GLU A 8 -10.642 -9.272 -4.810 1.00 0.98 C ATOM 135 C GLU A 8 -9.921 -8.733 -3.658 1.00 0.96 C ATOM 136 O GLU A 8 -10.293 -9.072 -2.514 1.00 1.30 O ATOM 137 CB GLU A 8 -11.889 -10.023 -4.339 1.00 1.20 C ATOM 138 CG GLU A 8 -11.491 -11.283 -3.575 1.00 1.29 C ATOM 139 CD GLU A 8 -12.693 -11.949 -3.083 1.00 1.75 C ATOM 140 OE1 GLU A 8 -13.448 -11.362 -2.278 1.00 2.27 O ATOM 141 OE2 GLU A 8 -12.966 -13.108 -3.463 1.00 2.22 O ATOM 0 H GLU A 8 -9.218 -10.752 -5.043 1.00 0.91 H new ATOM 0 HA GLU A 8 -10.951 -8.443 -5.447 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -12.491 -9.377 -3.700 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -12.507 -10.289 -5.196 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -10.930 -11.954 -4.225 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -10.837 -11.026 -2.742 1.00 1.29 H new ATOM 148 N PHE A 9 -8.905 -7.872 -3.847 1.00 0.75 N ATOM 149 CA PHE A 9 -8.190 -7.249 -2.790 1.00 0.68 C ATOM 150 C PHE A 9 -8.090 -8.055 -1.572 1.00 0.81 C ATOM 151 O PHE A 9 -8.876 -7.861 -0.618 1.00 0.93 O ATOM 152 CB PHE A 9 -8.777 -5.866 -2.491 1.00 0.55 C ATOM 153 CG PHE A 9 -10.189 -5.956 -2.127 1.00 0.57 C ATOM 154 CD1 PHE A 9 -10.559 -6.308 -0.835 1.00 0.87 C ATOM 155 CD2 PHE A 9 -11.167 -5.695 -3.081 1.00 0.82 C ATOM 156 CE1 PHE A 9 -11.904 -6.401 -0.498 1.00 0.92 C ATOM 157 CE2 PHE A 9 -12.512 -5.781 -2.742 1.00 0.89 C ATOM 158 CZ PHE A 9 -12.881 -6.136 -1.450 1.00 0.72 C ATOM 0 H PHE A 9 -8.573 -7.603 -4.773 1.00 0.75 H new ATOM 0 HA PHE A 9 -7.165 -7.141 -3.144 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.219 -5.400 -1.679 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.665 -5.224 -3.365 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -9.801 -6.509 -0.092 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -10.881 -5.425 -4.087 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -12.190 -6.680 0.505 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -13.270 -5.572 -3.482 1.00 0.89 H new ATOM 0 HZ PHE A 9 -13.926 -6.206 -1.186 1.00 0.72 H new ATOM 168 N SER A 10 -7.128 -8.988 -1.494 1.00 0.92 N ATOM 169 CA SER A 10 -6.977 -9.808 -0.352 1.00 1.07 C ATOM 170 C SER A 10 -6.474 -9.044 0.789 1.00 0.95 C ATOM 171 O SER A 10 -6.159 -7.844 0.647 1.00 0.79 O ATOM 172 CB SER A 10 -5.961 -10.908 -0.664 1.00 1.27 C ATOM 173 OG SER A 10 -5.910 -11.834 0.411 1.00 1.65 O ATOM 0 H SER A 10 -6.451 -9.170 -2.235 1.00 0.92 H new ATOM 0 HA SER A 10 -7.953 -10.223 -0.101 1.00 1.07 H new ATOM 0 HB2 SER A 10 -6.238 -11.421 -1.585 1.00 1.27 H new ATOM 0 HB3 SER A 10 -4.976 -10.471 -0.826 1.00 1.27 H new ATOM 0 HG SER A 10 -5.018 -11.815 0.817 1.00 1.65 H new ATOM 179 N GLU A 11 -6.333 -9.637 1.984 1.00 1.08 N ATOM 180 CA GLU A 11 -5.882 -8.917 3.116 1.00 1.08 C ATOM 181 C GLU A 11 -4.564 -8.325 2.896 1.00 0.96 C ATOM 182 O GLU A 11 -4.337 -7.167 3.307 1.00 0.94 O ATOM 183 CB GLU A 11 -5.819 -9.838 4.334 1.00 1.26 C ATOM 184 CG GLU A 11 -5.363 -9.015 5.542 1.00 1.21 C ATOM 185 CD GLU A 11 -5.364 -9.842 6.744 1.00 1.81 C ATOM 186 OE1 GLU A 11 -4.672 -10.882 6.788 1.00 2.60 O ATOM 187 OE2 GLU A 11 -6.047 -9.504 7.736 1.00 2.29 O ATOM 0 H GLU A 11 -6.534 -10.621 2.161 1.00 1.08 H new ATOM 0 HA GLU A 11 -6.595 -8.111 3.291 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -6.796 -10.281 4.525 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -5.126 -10.660 4.152 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -4.363 -8.619 5.365 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -6.025 -8.160 5.679 1.00 1.21 H new ATOM 194 N GLU A 12 -3.596 -8.999 2.253 1.00 0.93 N ATOM 195 CA GLU A 12 -2.332 -8.405 2.023 1.00 0.82 C ATOM 196 C GLU A 12 -2.434 -7.304 1.064 1.00 0.71 C ATOM 197 O GLU A 12 -1.445 -6.570 0.854 1.00 0.70 O ATOM 198 CB GLU A 12 -1.369 -9.443 1.444 1.00 0.85 C ATOM 199 CG GLU A 12 -1.101 -10.544 2.470 1.00 1.17 C ATOM 200 CD GLU A 12 -2.338 -11.271 2.736 1.00 2.13 C ATOM 201 OE1 GLU A 12 -2.964 -11.804 1.795 1.00 2.73 O ATOM 202 OE2 GLU A 12 -2.771 -11.353 3.906 1.00 2.46 O ATOM 0 H GLU A 12 -3.694 -9.950 1.897 1.00 0.93 H new ATOM 0 HA GLU A 12 -1.967 -8.026 2.978 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -1.791 -9.876 0.537 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -0.432 -8.963 1.162 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -0.338 -11.227 2.096 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -0.716 -10.110 3.393 1.00 1.17 H new ATOM 209 N GLN A 13 -3.574 -7.100 0.392 1.00 0.67 N ATOM 210 CA GLN A 13 -3.704 -6.074 -0.559 1.00 0.57 C ATOM 211 C GLN A 13 -4.582 -5.041 -0.007 1.00 0.52 C ATOM 212 O GLN A 13 -4.841 -4.016 -0.674 1.00 0.47 O ATOM 213 CB GLN A 13 -4.314 -6.720 -1.804 1.00 0.62 C ATOM 214 CG GLN A 13 -3.353 -7.801 -2.311 1.00 0.82 C ATOM 215 CD GLN A 13 -4.002 -8.633 -3.319 1.00 1.48 C ATOM 216 OE1 GLN A 13 -5.213 -8.472 -3.585 1.00 2.34 O ATOM 217 NE2 GLN A 13 -3.301 -9.586 -3.949 1.00 2.04 N ATOM 0 H GLN A 13 -4.415 -7.663 0.518 1.00 0.67 H new ATOM 0 HA GLN A 13 -2.753 -5.605 -0.811 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -5.284 -7.156 -1.567 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -4.482 -5.970 -2.577 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -2.463 -7.335 -2.734 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -3.022 -8.421 -1.478 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -2.313 -9.719 -3.733 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -3.756 -10.178 -4.644 1.00 2.04 H new ATOM 226 N LYS A 14 -5.098 -5.185 1.226 1.00 0.57 N ATOM 227 CA LYS A 14 -5.916 -4.175 1.775 1.00 0.57 C ATOM 228 C LYS A 14 -5.084 -3.154 2.409 1.00 0.60 C ATOM 229 O LYS A 14 -5.477 -1.968 2.408 1.00 0.60 O ATOM 230 CB LYS A 14 -6.867 -4.742 2.834 1.00 0.65 C ATOM 231 CG LYS A 14 -7.971 -5.606 2.215 1.00 0.67 C ATOM 232 CD LYS A 14 -8.864 -6.119 3.349 1.00 1.04 C ATOM 233 CE LYS A 14 -10.062 -6.907 2.811 1.00 1.36 C ATOM 234 NZ LYS A 14 -9.621 -8.149 2.176 1.00 1.71 N ATOM 0 H LYS A 14 -4.946 -5.994 1.828 1.00 0.57 H new ATOM 0 HA LYS A 14 -6.500 -3.746 0.961 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -6.299 -5.338 3.549 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.319 -3.921 3.391 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -8.556 -5.024 1.503 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -7.538 -6.441 1.664 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -8.279 -6.754 4.014 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -9.219 -5.277 3.943 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -10.750 -7.134 3.626 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.610 -6.299 2.091 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -10.394 -8.845 2.200 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -9.357 -7.959 1.188 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -8.798 -8.527 2.688 1.00 1.71 H new ATOM 248 N LYS A 15 -3.898 -3.449 2.969 1.00 0.68 N ATOM 249 CA LYS A 15 -3.139 -2.394 3.525 1.00 0.73 C ATOM 250 C LYS A 15 -2.494 -1.646 2.452 1.00 0.66 C ATOM 251 O LYS A 15 -1.904 -0.581 2.733 1.00 0.70 O ATOM 252 CB LYS A 15 -2.018 -2.882 4.445 1.00 0.82 C ATOM 253 CG LYS A 15 -2.570 -3.369 5.784 1.00 0.97 C ATOM 254 CD LYS A 15 -3.055 -4.808 5.624 1.00 1.51 C ATOM 255 CE LYS A 15 -1.850 -5.672 5.248 1.00 1.07 C ATOM 256 NZ LYS A 15 -2.218 -7.082 5.322 1.00 1.94 N ATOM 0 H LYS A 15 -3.485 -4.379 3.033 1.00 0.68 H new ATOM 0 HA LYS A 15 -3.838 -1.789 4.103 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -1.472 -3.690 3.959 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -1.307 -2.074 4.615 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -1.799 -3.314 6.552 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -3.390 -2.729 6.109 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -3.505 -5.164 6.551 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -3.823 -4.868 4.853 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -1.513 -5.426 4.241 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -1.018 -5.467 5.922 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 -1.398 -7.669 5.066 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -2.519 -7.312 6.290 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -2.999 -7.272 4.662 1.00 1.94 H new ATOM 270 N ALA A 16 -2.506 -2.100 1.191 1.00 0.58 N ATOM 271 CA ALA A 16 -1.924 -1.339 0.161 1.00 0.53 C ATOM 272 C ALA A 16 -2.829 -0.238 -0.140 1.00 0.50 C ATOM 273 O ALA A 16 -2.418 0.940 -0.089 1.00 0.60 O ATOM 274 CB ALA A 16 -1.741 -2.208 -1.085 1.00 0.46 C ATOM 0 H ALA A 16 -2.917 -2.986 0.896 1.00 0.58 H new ATOM 0 HA ALA A 16 -0.948 -0.963 0.469 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.290 -1.614 -1.880 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.091 -3.051 -0.849 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.711 -2.579 -1.415 1.00 0.46 H new ATOM 280 N LEU A 17 -4.112 -0.506 -0.427 1.00 0.44 N ATOM 281 CA LEU A 17 -5.027 0.525 -0.731 1.00 0.46 C ATOM 282 C LEU A 17 -5.185 1.414 0.418 1.00 0.57 C ATOM 283 O LEU A 17 -5.303 2.647 0.245 1.00 0.71 O ATOM 284 CB LEU A 17 -6.375 -0.135 -1.023 1.00 0.42 C ATOM 285 CG LEU A 17 -6.430 -0.530 -2.499 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.138 -1.254 -2.875 1.00 0.39 C ATOM 287 CD2 LEU A 17 -7.621 -1.458 -2.740 1.00 0.38 C ATOM 0 H LEU A 17 -4.510 -1.445 -0.446 1.00 0.44 H new ATOM 0 HA LEU A 17 -4.669 1.106 -1.581 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.507 -1.015 -0.393 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.188 0.551 -0.787 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.542 0.365 -3.111 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.173 -1.538 -3.927 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.288 -0.593 -2.705 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.030 -2.148 -2.261 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -7.657 -1.738 -3.793 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -7.513 -2.355 -2.130 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.543 -0.944 -2.469 1.00 0.38 H new ATOM 299 N ASP A 18 -5.173 0.914 1.661 1.00 0.59 N ATOM 300 CA ASP A 18 -5.315 1.772 2.771 1.00 0.70 C ATOM 301 C ASP A 18 -4.144 2.620 2.982 1.00 0.73 C ATOM 302 O ASP A 18 -4.216 3.558 3.805 1.00 0.82 O ATOM 303 CB ASP A 18 -5.531 0.951 4.040 1.00 0.76 C ATOM 304 CG ASP A 18 -5.674 1.873 5.161 1.00 0.97 C ATOM 305 OD1 ASP A 18 -6.599 2.713 5.178 1.00 1.76 O ATOM 306 OD2 ASP A 18 -4.843 1.840 6.093 1.00 1.24 O ATOM 0 H ASP A 18 -5.066 -0.074 1.889 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.173 2.410 2.559 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -6.421 0.329 3.943 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.689 0.279 4.206 1.00 0.76 H new ATOM 311 N LEU A 19 -2.979 2.381 2.364 1.00 0.68 N ATOM 312 CA LEU A 19 -1.869 3.211 2.618 1.00 0.70 C ATOM 313 C LEU A 19 -1.917 4.431 1.808 1.00 0.71 C ATOM 314 O LEU A 19 -1.017 5.288 1.935 1.00 0.85 O ATOM 315 CB LEU A 19 -0.584 2.450 2.296 1.00 0.60 C ATOM 316 CG LEU A 19 0.542 2.989 3.177 1.00 0.67 C ATOM 317 CD1 LEU A 19 0.174 2.726 4.638 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.854 2.277 2.851 1.00 0.69 C ATOM 0 H LEU A 19 -2.815 1.624 1.700 1.00 0.68 H new ATOM 0 HA LEU A 19 -1.892 3.495 3.670 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.723 1.383 2.472 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -0.329 2.569 1.243 1.00 0.60 H new ATOM 0 HG LEU A 19 0.670 4.057 2.999 1.00 0.67 H new ATOM 0 HD11 LEU A 19 0.965 3.103 5.286 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -0.761 3.233 4.875 1.00 1.15 H new ATOM 0 HD13 LEU A 19 0.056 1.654 4.796 1.00 1.15 H new ATOM 0 HD21 LEU A 19 2.649 2.670 3.485 1.00 0.69 H new ATOM 0 HD22 LEU A 19 1.742 1.208 3.030 1.00 0.69 H new ATOM 0 HD23 LEU A 19 2.109 2.445 1.805 1.00 0.69 H new ATOM 330 N ALA A 20 -2.881 4.622 0.894 1.00 0.62 N ATOM 331 CA ALA A 20 -2.821 5.736 0.028 1.00 0.70 C ATOM 332 C ALA A 20 -3.665 6.867 0.409 1.00 0.84 C ATOM 333 O ALA A 20 -3.774 7.791 -0.422 1.00 1.21 O ATOM 334 CB ALA A 20 -3.255 5.292 -1.368 1.00 0.72 C ATOM 0 H ALA A 20 -3.687 4.011 0.761 1.00 0.62 H new ATOM 0 HA ALA A 20 -1.789 6.085 0.073 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -3.214 6.142 -2.049 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -2.587 4.508 -1.725 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -4.274 4.908 -1.327 1.00 0.72 H new ATOM 340 N PHE A 21 -4.314 6.972 1.577 1.00 0.88 N ATOM 341 CA PHE A 21 -5.133 8.103 1.833 1.00 1.18 C ATOM 342 C PHE A 21 -4.388 9.358 1.937 1.00 1.61 C ATOM 343 O PHE A 21 -4.158 9.861 3.058 1.00 2.22 O ATOM 344 CB PHE A 21 -5.887 7.878 3.143 1.00 1.29 C ATOM 345 CG PHE A 21 -6.977 6.939 2.906 1.00 1.16 C ATOM 346 CD1 PHE A 21 -6.715 5.606 2.617 1.00 1.41 C ATOM 347 CD2 PHE A 21 -8.288 7.388 3.002 1.00 1.63 C ATOM 348 CE1 PHE A 21 -7.772 4.732 2.391 1.00 1.60 C ATOM 349 CE2 PHE A 21 -9.343 6.509 2.795 1.00 1.73 C ATOM 350 CZ PHE A 21 -9.084 5.182 2.480 1.00 1.50 C ATOM 0 H PHE A 21 -4.272 6.286 2.331 1.00 0.88 H new ATOM 0 HA PHE A 21 -5.807 8.201 0.982 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -5.212 7.487 3.904 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -6.279 8.823 3.519 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -5.696 5.251 2.568 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -8.487 8.423 3.238 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -7.573 3.699 2.145 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -10.362 6.857 2.879 1.00 1.73 H new ATOM 0 HZ PHE A 21 -9.902 4.499 2.304 1.00 1.50 H new ATOM 360 N TYR A 22 -4.011 9.992 0.817 1.00 1.98 N ATOM 361 CA TYR A 22 -3.327 11.223 0.857 1.00 2.50 C ATOM 362 C TYR A 22 -3.904 12.150 -0.116 1.00 2.37 C ATOM 363 O TYR A 22 -3.344 12.295 -1.224 1.00 2.86 O ATOM 364 CB TYR A 22 -1.833 11.063 0.577 1.00 3.05 C ATOM 365 CG TYR A 22 -1.565 10.825 -0.836 1.00 4.37 C ATOM 366 CD1 TYR A 22 -1.509 11.900 -1.716 1.00 4.57 C ATOM 367 CD2 TYR A 22 -1.273 9.544 -1.285 1.00 4.86 C ATOM 368 CE1 TYR A 22 -1.181 11.693 -3.050 1.00 5.05 C ATOM 369 CE2 TYR A 22 -0.928 9.341 -2.614 1.00 5.31 C ATOM 370 CZ TYR A 22 -0.886 10.411 -3.499 1.00 5.70 C ATOM 371 OH TYR A 22 -0.555 10.210 -4.792 1.00 5.94 O ATOM 0 H TYR A 22 -4.187 9.639 -0.124 1.00 1.98 H new ATOM 0 HA TYR A 22 -3.439 11.620 1.866 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -1.305 11.960 0.900 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -1.441 10.233 1.165 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -1.721 12.898 -1.362 1.00 4.57 H new ATOM 0 HD2 TYR A 22 -1.314 8.708 -0.602 1.00 4.86 H new ATOM 0 HE1 TYR A 22 -1.155 12.526 -3.737 1.00 5.05 H new ATOM 0 HE2 TYR A 22 -0.691 8.346 -2.962 1.00 5.31 H new ATOM 0 HH TYR A 22 -1.328 9.850 -5.275 1.00 5.94 H new ATOM 381 N PHE A 23 -5.032 12.821 0.159 1.00 2.53 N ATOM 382 CA PHE A 23 -5.608 13.729 -0.764 1.00 3.15 C ATOM 383 C PHE A 23 -5.935 13.115 -2.053 1.00 3.06 C ATOM 384 O PHE A 23 -7.132 12.840 -2.282 1.00 3.59 O ATOM 385 CB PHE A 23 -4.645 14.895 -1.007 1.00 3.86 C ATOM 386 CG PHE A 23 -4.341 15.540 0.267 1.00 4.35 C ATOM 387 CD1 PHE A 23 -5.321 16.255 0.947 1.00 5.12 C ATOM 388 CD2 PHE A 23 -3.058 15.446 0.793 1.00 4.54 C ATOM 389 CE1 PHE A 23 -5.017 16.868 2.157 1.00 5.84 C ATOM 390 CE2 PHE A 23 -2.755 16.058 2.003 1.00 5.32 C ATOM 391 CZ PHE A 23 -3.736 16.766 2.687 1.00 6.77 C ATOM 0 H PHE A 23 -5.548 12.729 1.034 1.00 2.53 H new ATOM 0 HA PHE A 23 -6.542 14.072 -0.319 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -3.728 14.534 -1.473 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -5.091 15.613 -1.695 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -6.316 16.334 0.536 1.00 5.12 H new ATOM 0 HD2 PHE A 23 -2.296 14.897 0.261 1.00 4.54 H new ATOM 0 HE1 PHE A 23 -5.777 17.424 2.686 1.00 5.84 H new ATOM 0 HE2 PHE A 23 -1.758 15.984 2.412 1.00 5.32 H new ATOM 0 HZ PHE A 23 -3.503 17.237 3.631 1.00 6.77 H new ATOM 401 N ASP A 24 -5.035 12.936 -3.031 1.00 2.69 N ATOM 402 CA ASP A 24 -5.453 12.392 -4.269 1.00 2.83 C ATOM 403 C ASP A 24 -5.274 10.940 -4.295 1.00 2.45 C ATOM 404 O ASP A 24 -5.743 10.284 -5.251 1.00 2.75 O ATOM 405 CB ASP A 24 -4.650 13.027 -5.406 1.00 3.31 C ATOM 406 CG ASP A 24 -4.918 14.461 -5.449 1.00 3.96 C ATOM 407 OD1 ASP A 24 -6.095 14.875 -5.537 1.00 4.50 O ATOM 408 OD2 ASP A 24 -3.970 15.276 -5.422 1.00 4.25 O ATOM 0 H ASP A 24 -4.043 13.163 -2.964 1.00 2.69 H new ATOM 0 HA ASP A 24 -6.513 12.609 -4.397 1.00 2.83 H new ATOM 0 HB2 ASP A 24 -3.585 12.850 -5.257 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -4.919 12.567 -6.357 1.00 3.31 H new ATOM 413 N ARG A 25 -4.642 10.334 -3.278 1.00 2.47 N ATOM 414 CA ARG A 25 -4.443 8.935 -3.220 1.00 2.98 C ATOM 415 C ARG A 25 -3.939 8.421 -4.496 1.00 2.31 C ATOM 416 O ARG A 25 -3.329 9.155 -5.303 1.00 2.72 O ATOM 417 CB ARG A 25 -5.773 8.206 -2.956 1.00 4.09 C ATOM 418 CG ARG A 25 -6.456 8.638 -1.657 1.00 4.69 C ATOM 419 CD ARG A 25 -7.501 9.707 -1.975 1.00 5.33 C ATOM 420 NE ARG A 25 -8.208 10.068 -0.810 1.00 5.75 N ATOM 421 CZ ARG A 25 -9.263 10.888 -0.907 1.00 6.57 C ATOM 422 NH1 ARG A 25 -9.648 11.336 -2.110 1.00 7.02 N ATOM 423 NH2 ARG A 25 -9.932 11.261 0.192 1.00 7.21 N ATOM 0 H ARG A 25 -4.261 10.837 -2.477 1.00 2.47 H new ATOM 0 HA ARG A 25 -3.727 8.756 -2.418 1.00 2.98 H new ATOM 0 HB2 ARG A 25 -6.450 8.387 -3.791 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -5.589 7.132 -2.921 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -6.928 7.781 -1.177 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -5.719 9.029 -0.956 1.00 4.69 H new ATOM 0 HD2 ARG A 25 -7.014 10.585 -2.399 1.00 5.33 H new ATOM 0 HD3 ARG A 25 -8.195 9.333 -2.728 1.00 5.33 H new ATOM 0 HE ARG A 25 -7.919 9.708 0.099 1.00 5.75 H new ATOM 0 HH11 ARG A 25 -9.138 11.052 -2.947 1.00 7.02 H new ATOM 0 HH12 ARG A 25 -10.451 11.960 -2.189 1.00 7.02 H new ATOM 0 HH21 ARG A 25 -9.639 10.921 1.108 1.00 7.21 H new ATOM 0 HH22 ARG A 25 -10.735 11.886 0.113 1.00 7.21 H new ATOM 437 N ARG A 26 -4.169 7.134 -4.791 1.00 1.76 N ATOM 438 CA ARG A 26 -3.869 6.575 -6.049 1.00 1.34 C ATOM 439 C ARG A 26 -5.174 6.134 -6.522 1.00 1.20 C ATOM 440 O ARG A 26 -5.348 4.954 -6.898 1.00 2.05 O ATOM 441 CB ARG A 26 -2.980 5.332 -5.940 1.00 2.02 C ATOM 442 CG ARG A 26 -1.491 5.669 -5.837 1.00 2.50 C ATOM 443 CD ARG A 26 -1.192 6.354 -4.506 1.00 2.91 C ATOM 444 NE ARG A 26 0.181 6.231 -4.212 1.00 3.64 N ATOM 445 CZ ARG A 26 1.111 6.948 -4.858 1.00 4.57 C ATOM 446 NH1 ARG A 26 0.751 7.871 -5.759 1.00 5.01 N ATOM 447 NH2 ARG A 26 2.407 6.733 -4.593 1.00 5.37 N ATOM 0 H ARG A 26 -4.575 6.471 -4.131 1.00 1.76 H new ATOM 0 HA ARG A 26 -3.344 7.288 -6.684 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -3.278 4.755 -5.065 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -3.144 4.697 -6.811 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -0.898 4.758 -5.926 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -1.201 6.320 -6.662 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -1.471 7.406 -4.556 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -1.787 5.904 -3.711 1.00 2.91 H new ATOM 0 HE ARG A 26 0.475 5.577 -3.486 1.00 3.64 H new ATOM 0 HH11 ARG A 26 -0.236 8.032 -5.957 1.00 5.01 H new ATOM 0 HH12 ARG A 26 1.464 8.413 -6.247 1.00 5.01 H new ATOM 0 HH21 ARG A 26 2.677 6.029 -3.906 1.00 5.37 H new ATOM 0 HH22 ARG A 26 3.123 7.273 -5.079 1.00 5.37 H new ATOM 461 N LEU A 27 -6.202 6.991 -6.470 1.00 0.90 N ATOM 462 CA LEU A 27 -7.499 6.548 -6.788 1.00 0.73 C ATOM 463 C LEU A 27 -7.965 7.189 -8.015 1.00 0.78 C ATOM 464 O LEU A 27 -9.189 7.341 -8.215 1.00 1.03 O ATOM 465 CB LEU A 27 -8.383 6.887 -5.581 1.00 0.72 C ATOM 466 CG LEU A 27 -9.696 6.097 -5.583 1.00 0.80 C ATOM 467 CD1 LEU A 27 -10.658 6.641 -6.638 1.00 1.23 C ATOM 468 CD2 LEU A 27 -9.412 4.620 -5.860 1.00 0.86 C ATOM 0 H LEU A 27 -6.129 7.975 -6.211 1.00 0.90 H new ATOM 0 HA LEU A 27 -7.528 5.475 -6.978 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -7.836 6.676 -4.662 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -8.604 7.954 -5.583 1.00 0.72 H new ATOM 0 HG LEU A 27 -10.161 6.203 -4.603 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -11.582 6.064 -6.620 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -10.879 7.687 -6.424 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -10.200 6.561 -7.624 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -10.349 4.063 -5.860 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -8.929 4.518 -6.832 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -8.755 4.224 -5.085 1.00 0.86 H new ATOM 480 N THR A 28 -7.090 7.540 -8.969 1.00 0.82 N ATOM 481 CA THR A 28 -7.558 8.086 -10.183 1.00 0.94 C ATOM 482 C THR A 28 -7.279 7.083 -11.203 1.00 0.88 C ATOM 483 O THR A 28 -6.432 6.211 -10.928 1.00 0.81 O ATOM 484 CB THR A 28 -6.802 9.376 -10.504 1.00 1.13 C ATOM 485 OG1 THR A 28 -5.432 9.065 -10.713 1.00 1.31 O ATOM 486 CG2 THR A 28 -6.932 10.352 -9.333 1.00 1.26 C ATOM 0 H THR A 28 -6.077 7.445 -8.896 1.00 0.82 H new ATOM 0 HA THR A 28 -8.620 8.328 -10.131 1.00 0.94 H new ATOM 0 HB THR A 28 -7.219 9.835 -11.400 1.00 1.13 H new ATOM 0 HG1 THR A 28 -4.938 9.886 -10.921 1.00 1.31 H new ATOM 0 HG21 THR A 28 -6.393 11.271 -9.563 1.00 1.26 H new ATOM 0 HG22 THR A 28 -7.984 10.581 -9.166 1.00 1.26 H new ATOM 0 HG23 THR A 28 -6.512 9.900 -8.434 1.00 1.26 H new ATOM 494 N PRO A 29 -7.915 7.059 -12.384 1.00 0.93 N ATOM 495 CA PRO A 29 -7.689 6.058 -13.364 1.00 0.90 C ATOM 496 C PRO A 29 -6.307 5.778 -13.615 1.00 0.83 C ATOM 497 O PRO A 29 -5.935 4.620 -13.719 1.00 0.82 O ATOM 498 CB PRO A 29 -8.364 6.643 -14.603 1.00 1.01 C ATOM 499 CG PRO A 29 -9.522 7.439 -14.003 1.00 1.11 C ATOM 500 CD PRO A 29 -8.928 8.007 -12.715 1.00 1.07 C ATOM 0 HA PRO A 29 -8.082 5.093 -13.044 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -7.686 7.279 -15.172 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -8.715 5.864 -15.280 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -9.857 8.230 -14.674 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -10.385 6.804 -13.802 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -8.514 9.004 -12.867 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -9.677 8.089 -11.927 1.00 1.07 H new ATOM 508 N GLU A 30 -5.451 6.765 -13.716 1.00 0.83 N ATOM 509 CA GLU A 30 -4.076 6.533 -13.937 1.00 0.81 C ATOM 510 C GLU A 30 -3.478 5.788 -12.831 1.00 0.79 C ATOM 511 O GLU A 30 -2.669 4.863 -13.062 1.00 0.85 O ATOM 512 CB GLU A 30 -3.376 7.890 -14.041 1.00 0.89 C ATOM 513 CG GLU A 30 -1.881 7.676 -14.289 1.00 1.46 C ATOM 514 CD GLU A 30 -1.217 8.971 -14.399 1.00 2.09 C ATOM 515 OE1 GLU A 30 -1.562 9.775 -15.292 1.00 2.62 O ATOM 516 OE2 GLU A 30 -0.306 9.278 -13.601 1.00 2.72 O ATOM 0 H GLU A 30 -5.706 7.750 -13.645 1.00 0.83 H new ATOM 0 HA GLU A 30 -3.960 5.949 -14.850 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -3.810 8.474 -14.853 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -3.525 8.459 -13.124 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -1.445 7.100 -13.473 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -1.732 7.100 -15.202 1.00 1.46 H new ATOM 523 N TRP A 31 -3.787 6.088 -11.562 1.00 0.78 N ATOM 524 CA TRP A 31 -3.136 5.402 -10.518 1.00 0.79 C ATOM 525 C TRP A 31 -3.879 4.223 -10.079 1.00 0.70 C ATOM 526 O TRP A 31 -3.336 3.434 -9.278 1.00 0.71 O ATOM 527 CB TRP A 31 -2.877 6.369 -9.365 1.00 0.93 C ATOM 528 CG TRP A 31 -1.903 7.362 -9.805 1.00 1.38 C ATOM 529 CD1 TRP A 31 -2.156 8.569 -10.451 1.00 2.29 C ATOM 530 CD2 TRP A 31 -0.528 7.288 -9.655 1.00 1.67 C ATOM 531 NE1 TRP A 31 -0.985 9.187 -10.692 1.00 2.57 N ATOM 532 CE2 TRP A 31 0.011 8.425 -10.216 1.00 2.12 C ATOM 533 CE3 TRP A 31 0.266 6.313 -9.072 1.00 2.37 C ATOM 534 CZ2 TRP A 31 1.381 8.640 -10.228 1.00 2.59 C ATOM 535 CZ3 TRP A 31 1.643 6.520 -9.075 1.00 3.11 C ATOM 536 CH2 TRP A 31 2.194 7.668 -9.649 1.00 3.01 C ATOM 0 H TRP A 31 -4.470 6.788 -11.272 1.00 0.78 H new ATOM 0 HA TRP A 31 -2.183 5.029 -10.892 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -3.804 6.856 -9.063 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -2.502 5.830 -8.495 1.00 0.93 H new ATOM 0 HD1 TRP A 31 -3.132 8.948 -10.715 1.00 2.29 H new ATOM 0 HE1 TRP A 31 -0.873 10.087 -11.160 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -0.167 5.427 -8.632 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 1.803 9.530 -10.671 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 2.294 5.783 -8.628 1.00 3.11 H new ATOM 0 HH2 TRP A 31 3.265 7.804 -9.644 1.00 3.01 H new ATOM 547 N ARG A 32 -5.114 3.968 -10.536 1.00 0.69 N ATOM 548 CA ARG A 32 -5.765 2.761 -10.201 1.00 0.62 C ATOM 549 C ARG A 32 -5.100 1.728 -10.988 1.00 0.61 C ATOM 550 O ARG A 32 -4.782 0.633 -10.477 1.00 0.60 O ATOM 551 CB ARG A 32 -7.231 2.821 -10.638 1.00 0.66 C ATOM 552 CG ARG A 32 -8.029 3.808 -9.784 1.00 0.89 C ATOM 553 CD ARG A 32 -9.385 4.033 -10.457 1.00 0.80 C ATOM 554 NE ARG A 32 -9.992 5.202 -9.951 1.00 0.83 N ATOM 555 CZ ARG A 32 -11.104 5.685 -10.521 1.00 0.85 C ATOM 556 NH1 ARG A 32 -11.666 5.046 -11.555 1.00 0.82 N ATOM 557 NH2 ARG A 32 -11.646 6.817 -10.053 1.00 0.97 N ATOM 0 H ARG A 32 -5.652 4.597 -11.132 1.00 0.69 H new ATOM 0 HA ARG A 32 -5.724 2.573 -9.128 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.288 3.116 -11.686 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -7.676 1.829 -10.561 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.165 3.416 -8.776 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -7.490 4.751 -9.689 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.254 4.120 -11.536 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.033 3.174 -10.283 1.00 0.80 H new ATOM 0 HE ARG A 32 -9.583 5.681 -9.149 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.247 4.187 -11.912 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -12.513 5.418 -11.985 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -11.212 7.304 -9.269 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -12.493 7.192 -10.481 1.00 0.97 H new ATOM 571 N ARG A 33 -4.813 2.007 -12.269 1.00 0.66 N ATOM 572 CA ARG A 33 -4.137 1.092 -13.102 1.00 0.69 C ATOM 573 C ARG A 33 -2.776 0.874 -12.614 1.00 0.72 C ATOM 574 O ARG A 33 -2.291 -0.279 -12.618 1.00 0.73 O ATOM 575 CB ARG A 33 -4.054 1.708 -14.499 1.00 0.80 C ATOM 576 CG ARG A 33 -3.425 0.707 -15.469 1.00 1.16 C ATOM 577 CD ARG A 33 -3.235 1.385 -16.827 1.00 1.14 C ATOM 578 NE ARG A 33 -4.480 1.848 -17.300 1.00 1.66 N ATOM 579 CZ ARG A 33 -4.630 3.138 -17.630 1.00 2.23 C ATOM 580 NH1 ARG A 33 -3.601 3.988 -17.507 1.00 2.26 N ATOM 581 NH2 ARG A 33 -5.811 3.580 -18.083 1.00 3.10 N ATOM 0 H ARG A 33 -5.058 2.885 -12.726 1.00 0.66 H new ATOM 0 HA ARG A 33 -4.670 0.141 -13.113 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -5.050 1.986 -14.844 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -3.460 2.622 -14.469 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -2.466 0.360 -15.084 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -4.064 -0.170 -15.572 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -2.537 2.217 -16.735 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -2.802 0.682 -17.539 1.00 1.14 H new ATOM 0 HE ARG A 33 -5.265 1.203 -17.391 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -2.702 3.653 -17.162 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -3.717 4.970 -17.759 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -6.595 2.935 -18.176 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -5.926 4.562 -18.334 1.00 3.10 H new ATOM 595 N TYR A 34 -2.076 1.927 -12.167 1.00 0.74 N ATOM 596 CA TYR A 34 -0.744 1.830 -11.705 1.00 0.77 C ATOM 597 C TYR A 34 -0.533 0.744 -10.750 1.00 0.65 C ATOM 598 O TYR A 34 0.427 -0.038 -10.927 1.00 0.68 O ATOM 599 CB TYR A 34 -0.398 3.138 -10.996 1.00 0.84 C ATOM 600 CG TYR A 34 0.958 3.064 -10.466 1.00 0.87 C ATOM 601 CD1 TYR A 34 2.048 3.115 -11.327 1.00 1.24 C ATOM 602 CD2 TYR A 34 1.154 2.929 -9.097 1.00 1.37 C ATOM 603 CE1 TYR A 34 3.338 3.042 -10.815 1.00 1.18 C ATOM 604 CE2 TYR A 34 2.443 2.853 -8.586 1.00 1.65 C ATOM 605 CZ TYR A 34 3.534 2.913 -9.445 1.00 1.19 C ATOM 606 OH TYR A 34 4.784 2.844 -8.946 1.00 1.43 O ATOM 0 H TYR A 34 -2.455 2.873 -12.129 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.116 1.630 -12.573 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.482 3.973 -11.691 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.105 3.323 -10.188 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.893 3.211 -12.391 1.00 1.24 H new ATOM 0 HD2 TYR A 34 0.305 2.883 -8.431 1.00 1.37 H new ATOM 0 HE1 TYR A 34 4.187 3.085 -11.481 1.00 1.18 H new ATOM 0 HE2 TYR A 34 2.598 2.747 -7.522 1.00 1.65 H new ATOM 0 HH TYR A 34 4.743 2.657 -7.985 1.00 1.43 H new ATOM 616 N LEU A 35 -1.320 0.578 -9.676 1.00 0.56 N ATOM 617 CA LEU A 35 -1.007 -0.466 -8.780 1.00 0.49 C ATOM 618 C LEU A 35 -1.777 -1.666 -9.089 1.00 0.45 C ATOM 619 O LEU A 35 -1.333 -2.772 -8.717 1.00 0.46 O ATOM 620 CB LEU A 35 -1.221 -0.069 -7.315 1.00 0.58 C ATOM 621 CG LEU A 35 -2.702 -0.158 -6.942 1.00 0.66 C ATOM 622 CD1 LEU A 35 -2.840 -0.175 -5.420 1.00 1.03 C ATOM 623 CD2 LEU A 35 -3.458 1.045 -7.507 1.00 1.32 C ATOM 0 H LEU A 35 -2.136 1.143 -9.441 1.00 0.56 H new ATOM 0 HA LEU A 35 0.055 -0.677 -8.910 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -0.638 -0.723 -6.667 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -0.860 0.946 -7.152 1.00 0.58 H new ATOM 0 HG LEU A 35 -3.122 -1.072 -7.361 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.894 -0.238 -5.151 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -2.310 -1.038 -5.016 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -2.414 0.739 -5.006 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -4.511 0.973 -7.236 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -3.040 1.964 -7.095 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -3.363 1.058 -8.593 1.00 1.32 H new ATOM 635 N SER A 36 -2.939 -1.606 -9.760 1.00 0.47 N ATOM 636 CA SER A 36 -3.671 -2.788 -10.015 1.00 0.48 C ATOM 637 C SER A 36 -2.889 -3.704 -10.843 1.00 0.59 C ATOM 638 O SER A 36 -3.064 -4.937 -10.736 1.00 0.66 O ATOM 639 CB SER A 36 -4.942 -2.424 -10.781 1.00 0.52 C ATOM 640 OG SER A 36 -4.571 -1.933 -12.059 1.00 1.35 O ATOM 0 H SER A 36 -3.360 -0.749 -10.118 1.00 0.47 H new ATOM 0 HA SER A 36 -3.908 -3.267 -9.065 1.00 0.48 H new ATOM 0 HB2 SER A 36 -5.586 -3.297 -10.883 1.00 0.52 H new ATOM 0 HB3 SER A 36 -5.510 -1.670 -10.236 1.00 0.52 H new ATOM 0 HG SER A 36 -5.351 -1.944 -12.653 1.00 1.35 H new ATOM 646 N GLN A 37 -1.974 -3.202 -11.687 1.00 0.67 N ATOM 647 CA GLN A 37 -1.158 -4.019 -12.499 1.00 0.80 C ATOM 648 C GLN A 37 -0.462 -5.046 -11.726 1.00 0.75 C ATOM 649 O GLN A 37 -0.431 -6.222 -12.151 1.00 0.86 O ATOM 650 CB GLN A 37 -0.107 -3.122 -13.155 1.00 0.92 C ATOM 651 CG GLN A 37 0.785 -3.964 -14.069 1.00 1.09 C ATOM 652 CD GLN A 37 1.784 -3.106 -14.699 1.00 2.00 C ATOM 653 OE1 GLN A 37 1.820 -1.885 -14.432 1.00 2.72 O ATOM 654 NE2 GLN A 37 2.666 -3.629 -15.562 1.00 2.66 N ATOM 0 H GLN A 37 -1.804 -2.203 -11.802 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.792 -4.520 -13.230 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -0.594 -2.334 -13.730 1.00 0.92 H new ATOM 0 HB3 GLN A 37 0.497 -2.632 -12.391 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.275 -4.749 -13.494 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.181 -4.457 -14.831 1.00 1.09 H new ATOM 0 HE21 GLN A 37 2.637 -4.625 -15.780 1.00 2.66 H new ATOM 0 HE22 GLN A 37 3.366 -3.031 -16.001 1.00 2.66 H new ATOM 663 N ARG A 38 0.160 -4.738 -10.578 1.00 0.65 N ATOM 664 CA ARG A 38 0.844 -5.746 -9.867 1.00 0.68 C ATOM 665 C ARG A 38 0.115 -6.111 -8.656 1.00 0.59 C ATOM 666 O ARG A 38 0.573 -7.014 -7.923 1.00 0.65 O ATOM 667 CB ARG A 38 2.251 -5.272 -9.498 1.00 0.74 C ATOM 668 CG ARG A 38 3.059 -5.045 -10.776 1.00 1.20 C ATOM 669 CD ARG A 38 4.507 -4.699 -10.422 1.00 1.55 C ATOM 670 NE ARG A 38 5.113 -5.802 -9.784 1.00 1.76 N ATOM 671 CZ ARG A 38 6.409 -5.754 -9.447 1.00 2.41 C ATOM 672 NH1 ARG A 38 7.136 -4.668 -9.746 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.984 -6.789 -8.818 1.00 3.06 N ATOM 0 H ARG A 38 0.186 -3.810 -10.156 1.00 0.65 H new ATOM 0 HA ARG A 38 0.917 -6.624 -10.509 1.00 0.68 H new ATOM 0 HB2 ARG A 38 2.196 -4.350 -8.920 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.744 -6.014 -8.869 1.00 0.74 H new ATOM 0 HG2 ARG A 38 3.031 -5.940 -11.398 1.00 1.20 H new ATOM 0 HG3 ARG A 38 2.615 -4.238 -11.359 1.00 1.20 H new ATOM 0 HD2 ARG A 38 5.061 -4.438 -11.324 1.00 1.55 H new ATOM 0 HD3 ARG A 38 4.534 -3.827 -9.768 1.00 1.55 H new ATOM 0 HE ARG A 38 4.564 -6.637 -9.579 1.00 1.76 H new ATOM 0 HH11 ARG A 38 6.702 -3.881 -10.229 1.00 2.88 H new ATOM 0 HH12 ARG A 38 8.123 -4.629 -9.491 1.00 2.88 H new ATOM 0 HH21 ARG A 38 6.435 -7.619 -8.594 1.00 3.06 H new ATOM 0 HH22 ARG A 38 7.971 -6.747 -8.564 1.00 3.06 H new ATOM 687 N LEU A 39 -1.027 -5.492 -8.322 1.00 0.55 N ATOM 688 CA LEU A 39 -1.716 -5.874 -7.152 1.00 0.47 C ATOM 689 C LEU A 39 -2.426 -7.124 -7.424 1.00 0.51 C ATOM 690 O LEU A 39 -2.383 -8.057 -6.592 1.00 0.53 O ATOM 691 CB LEU A 39 -2.693 -4.769 -6.743 1.00 0.36 C ATOM 692 CG LEU A 39 -3.198 -5.048 -5.327 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.002 -5.053 -4.373 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.163 -3.943 -4.896 1.00 0.24 C ATOM 0 H LEU A 39 -1.461 -4.740 -8.857 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.018 -6.026 -6.329 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.200 -3.798 -6.782 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.530 -4.730 -7.440 1.00 0.36 H new ATOM 0 HG LEU A 39 -3.711 -6.010 -5.305 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -2.347 -5.251 -3.358 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -1.299 -5.829 -4.675 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -1.507 -4.082 -4.405 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -4.521 -4.146 -3.886 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -3.647 -2.983 -4.912 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.010 -3.912 -5.581 1.00 0.24 H new ATOM 706 N GLY A 40 -3.082 -7.293 -8.583 1.00 0.56 N ATOM 707 CA GLY A 40 -3.684 -8.536 -8.884 1.00 0.64 C ATOM 708 C GLY A 40 -5.115 -8.413 -9.157 1.00 0.60 C ATOM 709 O GLY A 40 -5.742 -9.410 -9.575 1.00 0.69 O ATOM 0 H GLY A 40 -3.191 -6.575 -9.299 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -3.189 -8.976 -9.750 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.534 -9.220 -8.049 1.00 0.64 H new ATOM 713 N LEU A 41 -5.769 -7.260 -8.966 1.00 0.54 N ATOM 714 CA LEU A 41 -7.146 -7.176 -9.270 1.00 0.54 C ATOM 715 C LEU A 41 -7.385 -6.036 -10.153 1.00 0.50 C ATOM 716 O LEU A 41 -6.432 -5.280 -10.432 1.00 0.59 O ATOM 717 CB LEU A 41 -7.984 -7.073 -7.993 1.00 0.56 C ATOM 718 CG LEU A 41 -7.379 -6.084 -6.995 1.00 0.59 C ATOM 719 CD1 LEU A 41 -6.258 -6.769 -6.213 1.00 0.60 C ATOM 720 CD2 LEU A 41 -6.807 -4.874 -7.733 1.00 1.25 C ATOM 0 H LEU A 41 -5.349 -6.403 -8.607 1.00 0.54 H new ATOM 0 HA LEU A 41 -7.451 -8.087 -9.785 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -8.997 -6.760 -8.247 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.062 -8.056 -7.529 1.00 0.56 H new ATOM 0 HG LEU A 41 -8.160 -5.752 -6.311 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -5.827 -6.064 -5.502 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -6.661 -7.627 -5.675 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -5.485 -7.105 -6.904 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -6.379 -4.177 -7.012 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.031 -5.203 -8.424 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -7.602 -4.378 -8.289 1.00 1.25 H new ATOM 732 N ASN A 42 -8.588 -5.842 -10.721 1.00 0.51 N ATOM 733 CA ASN A 42 -8.804 -4.762 -11.612 1.00 0.53 C ATOM 734 C ASN A 42 -8.947 -3.478 -10.925 1.00 0.43 C ATOM 735 O ASN A 42 -9.008 -3.417 -9.679 1.00 0.38 O ATOM 736 CB ASN A 42 -10.082 -5.020 -12.415 1.00 0.66 C ATOM 737 CG ASN A 42 -9.862 -6.113 -13.357 1.00 0.81 C ATOM 738 OD1 ASN A 42 -9.412 -7.208 -12.955 1.00 1.11 O ATOM 739 ND2 ASN A 42 -10.125 -5.935 -14.659 1.00 1.45 N ATOM 0 H ASN A 42 -9.403 -6.434 -10.560 1.00 0.51 H new ATOM 0 HA ASN A 42 -7.927 -4.702 -12.257 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -10.902 -5.268 -11.741 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -10.373 -4.118 -12.953 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -9.958 -6.693 -15.321 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -10.492 -5.042 -14.988 1.00 1.45 H new ATOM 746 N GLU A 43 -9.083 -2.358 -11.652 1.00 0.47 N ATOM 747 CA GLU A 43 -9.229 -1.099 -11.026 1.00 0.45 C ATOM 748 C GLU A 43 -10.498 -1.037 -10.306 1.00 0.40 C ATOM 749 O GLU A 43 -10.626 -0.264 -9.332 1.00 0.38 O ATOM 750 CB GLU A 43 -9.216 0.013 -12.079 1.00 0.57 C ATOM 751 CG GLU A 43 -7.913 -0.024 -12.880 1.00 0.68 C ATOM 752 CD GLU A 43 -7.890 -1.212 -13.729 1.00 0.88 C ATOM 753 OE1 GLU A 43 -8.792 -1.389 -14.577 1.00 1.78 O ATOM 754 OE2 GLU A 43 -6.967 -2.046 -13.616 1.00 1.31 O ATOM 0 H GLU A 43 -9.091 -2.332 -12.672 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.401 -0.966 -10.329 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.066 -0.104 -12.751 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -9.324 0.983 -11.594 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -7.826 0.874 -13.492 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -7.059 -0.033 -12.203 1.00 0.68 H new ATOM 761 N GLU A 44 -11.516 -1.816 -10.696 1.00 0.46 N ATOM 762 CA GLU A 44 -12.750 -1.819 -10.015 1.00 0.46 C ATOM 763 C GLU A 44 -12.560 -2.249 -8.633 1.00 0.40 C ATOM 764 O GLU A 44 -13.195 -1.698 -7.708 1.00 0.43 O ATOM 765 CB GLU A 44 -13.682 -2.805 -10.723 1.00 0.60 C ATOM 766 CG GLU A 44 -15.038 -2.822 -10.015 1.00 1.05 C ATOM 767 CD GLU A 44 -15.958 -3.690 -10.743 1.00 1.48 C ATOM 768 OE1 GLU A 44 -15.676 -4.895 -10.919 1.00 1.78 O ATOM 769 OE2 GLU A 44 -17.032 -3.228 -11.187 1.00 2.31 O ATOM 0 H GLU A 44 -11.475 -2.449 -11.495 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.175 -0.815 -10.016 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -13.808 -2.517 -11.767 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -13.244 -3.803 -10.718 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -14.921 -3.176 -8.991 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -15.443 -1.812 -9.958 1.00 1.05 H new ATOM 776 N GLN A 45 -11.690 -3.227 -8.346 1.00 0.40 N ATOM 777 CA GLN A 45 -11.539 -3.672 -7.017 1.00 0.41 C ATOM 778 C GLN A 45 -10.773 -2.709 -6.227 1.00 0.34 C ATOM 779 O GLN A 45 -10.715 -2.841 -4.985 1.00 0.41 O ATOM 780 CB GLN A 45 -10.820 -5.018 -7.044 1.00 0.51 C ATOM 781 CG GLN A 45 -11.629 -5.997 -7.898 1.00 0.60 C ATOM 782 CD GLN A 45 -12.963 -6.168 -7.331 1.00 0.75 C ATOM 783 OE1 GLN A 45 -13.971 -5.846 -7.997 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.111 -6.670 -6.097 1.00 0.97 N ATOM 0 H GLN A 45 -11.101 -3.700 -9.031 1.00 0.40 H new ATOM 0 HA GLN A 45 -12.520 -3.774 -6.553 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -9.817 -4.901 -7.454 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -10.708 -5.405 -6.031 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -11.704 -5.625 -8.920 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.119 -6.959 -7.945 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -12.290 -6.933 -5.552 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.044 -6.789 -5.703 1.00 0.97 H new ATOM 793 N ILE A 46 -10.149 -1.681 -6.822 1.00 0.28 N ATOM 794 CA ILE A 46 -9.479 -0.706 -6.057 1.00 0.30 C ATOM 795 C ILE A 46 -10.510 0.190 -5.546 1.00 0.39 C ATOM 796 O ILE A 46 -10.541 0.504 -4.337 1.00 0.52 O ATOM 797 CB ILE A 46 -8.529 0.101 -6.947 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.488 -0.812 -7.598 1.00 0.36 C ATOM 799 CG2 ILE A 46 -7.810 1.151 -6.098 1.00 0.45 C ATOM 800 CD1 ILE A 46 -6.630 -1.471 -6.517 1.00 0.38 C ATOM 0 H ILE A 46 -10.114 -1.533 -7.831 1.00 0.28 H new ATOM 0 HA ILE A 46 -8.899 -1.169 -5.259 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.114 0.583 -7.731 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.984 -1.575 -8.197 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -6.857 -0.235 -8.275 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.133 1.727 -6.729 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -8.544 1.820 -5.648 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.240 0.655 -5.312 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -5.890 -2.120 -6.985 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.122 -0.701 -5.936 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.266 -2.062 -5.858 1.00 0.38 H new ATOM 812 N GLU A 47 -11.434 0.646 -6.403 1.00 0.38 N ATOM 813 CA GLU A 47 -12.466 1.516 -5.993 1.00 0.47 C ATOM 814 C GLU A 47 -13.364 0.865 -5.039 1.00 0.51 C ATOM 815 O GLU A 47 -13.923 1.552 -4.157 1.00 0.61 O ATOM 816 CB GLU A 47 -13.278 1.885 -7.234 1.00 0.50 C ATOM 817 CG GLU A 47 -12.396 2.666 -8.210 1.00 0.52 C ATOM 818 CD GLU A 47 -13.153 2.924 -9.431 1.00 0.56 C ATOM 819 OE1 GLU A 47 -14.228 3.559 -9.378 1.00 1.11 O ATOM 820 OE2 GLU A 47 -12.722 2.514 -10.531 1.00 1.21 O ATOM 0 H GLU A 47 -11.459 0.403 -7.393 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.025 2.390 -5.513 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -13.659 0.983 -7.714 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.143 2.484 -6.950 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.076 3.606 -7.759 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -11.494 2.099 -8.439 1.00 0.52 H new ATOM 827 N ARG A 48 -13.579 -0.457 -5.096 1.00 0.47 N ATOM 828 CA ARG A 48 -14.471 -1.072 -4.191 1.00 0.55 C ATOM 829 C ARG A 48 -13.885 -1.214 -2.864 1.00 0.60 C ATOM 830 O ARG A 48 -14.578 -0.893 -1.876 1.00 0.68 O ATOM 831 CB ARG A 48 -14.834 -2.464 -4.710 1.00 0.56 C ATOM 832 CG ARG A 48 -16.204 -2.435 -5.395 1.00 0.63 C ATOM 833 CD ARG A 48 -16.223 -1.477 -6.587 1.00 0.60 C ATOM 834 NE ARG A 48 -17.484 -1.569 -7.211 1.00 0.71 N ATOM 835 CZ ARG A 48 -17.779 -0.798 -8.266 1.00 0.80 C ATOM 836 NH1 ARG A 48 -16.886 0.089 -8.724 1.00 0.80 N ATOM 837 NH2 ARG A 48 -18.973 -0.917 -8.864 1.00 0.94 N ATOM 0 H ARG A 48 -13.137 -1.089 -5.764 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.354 -0.438 -4.113 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.075 -2.807 -5.414 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -14.848 -3.175 -3.884 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.463 -3.439 -5.731 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -16.964 -2.134 -4.674 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -16.037 -0.455 -6.256 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.432 -1.732 -7.292 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.177 -2.228 -6.856 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -15.977 0.179 -8.269 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -17.114 0.674 -9.528 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -19.653 -1.593 -8.515 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -19.202 -0.332 -9.668 1.00 0.94 H new ATOM 851 N TRP A 49 -12.639 -1.659 -2.655 1.00 0.56 N ATOM 852 CA TRP A 49 -12.181 -1.716 -1.321 1.00 0.64 C ATOM 853 C TRP A 49 -11.963 -0.370 -0.799 1.00 0.69 C ATOM 854 O TRP A 49 -12.132 -0.149 0.420 1.00 0.81 O ATOM 855 CB TRP A 49 -10.893 -2.523 -1.191 1.00 0.75 C ATOM 856 CG TRP A 49 -10.548 -2.564 0.226 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.376 -2.125 0.835 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.374 -3.002 1.247 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.488 -2.299 2.165 1.00 1.29 N ATOM 860 CE2 TRP A 49 -10.693 -2.826 2.432 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.660 -3.515 1.207 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -11.274 -3.165 3.645 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -13.252 -3.860 2.419 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.565 -3.688 3.623 1.00 3.63 C ATOM 0 H TRP A 49 -11.982 -1.964 -3.373 1.00 0.56 H new ATOM 0 HA TRP A 49 -12.955 -2.217 -0.740 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.030 -3.531 -1.582 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.091 -2.063 -1.769 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.518 -1.713 0.325 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -8.774 -2.068 2.856 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.184 -3.643 0.271 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -10.743 -3.028 4.576 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -14.253 -4.265 2.428 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -13.042 -3.965 4.551 1.00 3.63 H new ATOM 875 N PHE A 50 -11.566 0.606 -1.628 1.00 0.65 N ATOM 876 CA PHE A 50 -11.334 1.921 -1.170 1.00 0.72 C ATOM 877 C PHE A 50 -12.536 2.451 -0.527 1.00 0.78 C ATOM 878 O PHE A 50 -12.463 2.949 0.618 1.00 0.89 O ATOM 879 CB PHE A 50 -10.983 2.793 -2.379 1.00 0.72 C ATOM 880 CG PHE A 50 -10.695 4.165 -1.969 1.00 0.86 C ATOM 881 CD1 PHE A 50 -9.514 4.453 -1.293 1.00 1.66 C ATOM 882 CD2 PHE A 50 -11.593 5.186 -2.260 1.00 1.33 C ATOM 883 CE1 PHE A 50 -9.224 5.761 -0.924 1.00 2.06 C ATOM 884 CE2 PHE A 50 -11.306 6.493 -1.884 1.00 1.54 C ATOM 885 CZ PHE A 50 -10.120 6.782 -1.219 1.00 1.68 C ATOM 0 H PHE A 50 -11.406 0.474 -2.627 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.520 1.921 -0.445 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.119 2.375 -2.895 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -11.811 2.788 -3.088 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -8.822 3.659 -1.055 1.00 1.66 H new ATOM 0 HD2 PHE A 50 -12.514 4.963 -2.778 1.00 1.33 H new ATOM 0 HE1 PHE A 50 -8.302 5.984 -0.408 1.00 2.06 H new ATOM 0 HE2 PHE A 50 -12.005 7.285 -2.109 1.00 1.54 H new ATOM 0 HZ PHE A 50 -9.895 7.799 -0.932 1.00 1.68 H new ATOM 895 N ARG A 51 -13.716 2.426 -1.163 1.00 0.74 N ATOM 896 CA ARG A 51 -14.854 2.967 -0.530 1.00 0.81 C ATOM 897 C ARG A 51 -15.403 2.050 0.473 1.00 0.87 C ATOM 898 O ARG A 51 -15.850 2.519 1.540 1.00 0.99 O ATOM 899 CB ARG A 51 -15.885 3.393 -1.582 1.00 0.79 C ATOM 900 CG ARG A 51 -16.477 2.204 -2.340 1.00 0.78 C ATOM 901 CD ARG A 51 -17.809 1.812 -1.697 1.00 1.14 C ATOM 902 NE ARG A 51 -18.400 0.766 -2.435 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.661 0.886 -2.872 1.00 1.92 C ATOM 904 NH1 ARG A 51 -20.354 2.006 -2.621 1.00 2.21 N ATOM 905 NH2 ARG A 51 -20.231 -0.112 -3.561 1.00 2.45 N ATOM 0 H ARG A 51 -13.873 2.039 -2.094 1.00 0.74 H new ATOM 0 HA ARG A 51 -14.561 3.861 0.021 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -16.689 3.945 -1.095 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -15.415 4.074 -2.292 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -16.628 2.464 -3.388 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -15.786 1.361 -2.316 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -17.648 1.497 -0.666 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -18.477 2.673 -1.667 1.00 1.14 H new ATOM 0 HE ARG A 51 -17.868 -0.081 -2.636 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -19.921 2.767 -2.097 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -21.314 2.097 -2.954 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -19.705 -0.964 -3.753 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -21.191 -0.019 -3.893 1.00 2.45 H new ATOM 919 N ARG A 52 -15.419 0.717 0.314 1.00 0.83 N ATOM 920 CA ARG A 52 -15.957 -0.108 1.334 1.00 0.98 C ATOM 921 C ARG A 52 -15.172 -0.059 2.570 1.00 1.11 C ATOM 922 O ARG A 52 -15.647 -0.553 3.615 1.00 1.27 O ATOM 923 CB ARG A 52 -16.000 -1.562 0.856 1.00 1.02 C ATOM 924 CG ARG A 52 -16.994 -1.716 -0.297 1.00 1.24 C ATOM 925 CD ARG A 52 -18.418 -1.817 0.256 1.00 1.32 C ATOM 926 NE ARG A 52 -18.836 -0.578 0.782 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.943 -0.517 1.535 1.00 2.26 C ATOM 928 NH1 ARG A 52 -20.638 -1.634 1.790 1.00 2.17 N ATOM 929 NH2 ARG A 52 -20.358 0.657 2.030 1.00 3.08 N ATOM 0 H ARG A 52 -15.066 0.223 -0.505 1.00 0.83 H new ATOM 0 HA ARG A 52 -16.958 0.269 1.546 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -15.007 -1.875 0.533 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -16.287 -2.214 1.681 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.916 -0.864 -0.973 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.756 -2.607 -0.878 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -19.099 -2.131 -0.535 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -18.459 -2.580 1.033 1.00 1.32 H new ATOM 0 HE ARG A 52 -18.299 0.268 0.591 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -20.324 -2.528 1.411 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -21.481 -1.591 2.363 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.831 1.508 1.834 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -21.201 0.700 2.603 1.00 3.08 H new ATOM 943 N LYS A 53 -13.947 0.482 2.603 1.00 1.08 N ATOM 944 CA LYS A 53 -13.226 0.571 3.811 1.00 1.25 C ATOM 945 C LYS A 53 -13.671 1.713 4.607 1.00 1.35 C ATOM 946 O LYS A 53 -13.536 1.696 5.850 1.00 1.57 O ATOM 947 CB LYS A 53 -11.741 0.716 3.492 1.00 1.20 C ATOM 948 CG LYS A 53 -10.936 0.738 4.790 1.00 1.31 C ATOM 949 CD LYS A 53 -9.451 0.713 4.436 1.00 1.89 C ATOM 950 CE LYS A 53 -9.178 1.775 3.373 1.00 2.23 C ATOM 951 NZ LYS A 53 -9.621 1.298 2.064 1.00 2.62 N ATOM 0 H LYS A 53 -13.462 0.856 1.788 1.00 1.08 H new ATOM 0 HA LYS A 53 -13.401 -0.335 4.392 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -11.412 -0.111 2.862 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -11.568 1.633 2.930 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -11.173 1.631 5.368 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -11.193 -0.121 5.410 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -8.849 0.905 5.324 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -9.168 -0.272 4.066 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -9.698 2.698 3.628 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -8.113 2.007 3.344 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -8.858 1.429 1.370 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -9.863 0.288 2.126 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -10.458 1.837 1.763 1.00 2.62 H new ATOM 965 N GLU A 54 -14.124 2.811 3.985 1.00 1.24 N ATOM 966 CA GLU A 54 -14.493 3.969 4.702 1.00 1.34 C ATOM 967 C GLU A 54 -15.949 4.062 4.825 1.00 1.32 C ATOM 968 O GLU A 54 -16.468 4.285 5.940 1.00 1.39 O ATOM 969 CB GLU A 54 -13.887 5.189 3.994 1.00 1.34 C ATOM 970 CG GLU A 54 -14.363 5.262 2.540 1.00 1.18 C ATOM 971 CD GLU A 54 -13.632 6.296 1.813 1.00 1.29 C ATOM 972 OE1 GLU A 54 -12.389 6.225 1.704 1.00 1.61 O ATOM 973 OE2 GLU A 54 -14.251 7.243 1.283 1.00 1.87 O ATOM 0 H GLU A 54 -14.233 2.889 2.974 1.00 1.24 H new ATOM 0 HA GLU A 54 -14.104 3.926 5.719 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -14.171 6.100 4.521 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -12.799 5.130 4.023 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -14.218 4.297 2.055 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -15.431 5.476 2.511 1.00 1.18 H new ATOM 980 N GLN A 55 -16.738 3.894 3.753 1.00 1.23 N ATOM 981 CA GLN A 55 -18.140 4.040 3.841 1.00 1.27 C ATOM 982 C GLN A 55 -18.738 3.026 4.712 1.00 1.33 C ATOM 983 O GLN A 55 -19.903 3.194 5.131 1.00 1.41 O ATOM 984 CB GLN A 55 -18.742 3.855 2.446 1.00 1.22 C ATOM 985 CG GLN A 55 -18.215 4.905 1.465 1.00 1.34 C ATOM 986 CD GLN A 55 -18.598 6.245 1.896 1.00 2.13 C ATOM 987 OE1 GLN A 55 -19.797 6.507 2.136 1.00 2.59 O ATOM 988 NE2 GLN A 55 -17.664 7.197 2.021 1.00 2.88 N ATOM 0 H GLN A 55 -16.395 3.656 2.823 1.00 1.23 H new ATOM 0 HA GLN A 55 -18.346 5.029 4.250 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -18.505 2.858 2.075 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -19.828 3.923 2.505 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -17.129 4.835 1.397 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -18.610 4.710 0.468 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -16.687 6.981 1.825 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -17.930 8.138 2.312 1.00 2.88 H new ATOM 997 N GLN A 56 -18.071 1.911 5.043 1.00 1.34 N ATOM 998 CA GLN A 56 -18.656 0.953 5.897 1.00 1.42 C ATOM 999 C GLN A 56 -18.800 1.476 7.252 1.00 1.54 C ATOM 1000 O GLN A 56 -19.757 1.096 7.961 1.00 1.59 O ATOM 1001 CB GLN A 56 -17.766 -0.289 5.949 1.00 1.47 C ATOM 1002 CG GLN A 56 -18.412 -1.339 6.855 1.00 1.66 C ATOM 1003 CD GLN A 56 -19.731 -1.694 6.338 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -20.743 -1.550 7.058 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -19.855 -2.185 5.098 1.00 2.10 N ATOM 0 H GLN A 56 -17.132 1.681 4.717 1.00 1.34 H new ATOM 0 HA GLN A 56 -19.643 0.706 5.505 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -17.628 -0.693 4.946 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -16.777 -0.026 6.326 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -17.781 -2.226 6.907 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -18.501 -0.952 7.870 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -19.029 -2.302 4.511 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -20.775 -2.442 4.741 1.00 2.10 H new ATOM 1014 N ILE A 57 -17.907 2.343 7.749 1.00 1.64 N ATOM 1015 CA ILE A 57 -18.046 2.800 9.075 1.00 1.81 C ATOM 1016 C ILE A 57 -18.747 4.081 9.081 1.00 1.89 C ATOM 1017 O ILE A 57 -19.270 4.495 10.137 1.00 2.07 O ATOM 1018 CB ILE A 57 -16.678 2.906 9.753 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -16.346 4.360 10.096 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -15.616 2.362 8.796 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -17.029 4.736 11.413 1.00 2.66 C ATOM 0 H ILE A 57 -17.107 2.717 7.239 1.00 1.64 H new ATOM 0 HA ILE A 57 -18.637 2.082 9.644 1.00 1.81 H new ATOM 0 HB ILE A 57 -16.697 2.330 10.678 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -15.267 4.488 10.183 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -16.682 5.020 9.297 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -14.634 2.431 9.265 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -15.835 1.320 8.564 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -15.621 2.947 7.877 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -16.795 5.771 11.661 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -18.108 4.623 11.309 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -16.671 4.082 12.208 1.00 2.66 H new ATOM 1033 N GLY A 58 -18.815 4.826 7.969 1.00 1.79 N ATOM 1034 CA GLY A 58 -19.450 6.084 8.018 1.00 1.90 C ATOM 1035 C GLY A 58 -18.558 7.104 7.474 1.00 1.88 C ATOM 1036 O GLY A 58 -18.860 8.310 7.598 1.00 1.99 O ATOM 0 H GLY A 58 -18.438 4.559 7.060 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -20.378 6.057 7.448 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -19.715 6.329 9.046 1.00 1.90 H new ATOM 1040 N TRP A 59 -17.433 6.722 6.849 1.00 1.76 N ATOM 1041 CA TRP A 59 -16.528 7.626 6.245 1.00 1.74 C ATOM 1042 C TRP A 59 -15.793 8.449 7.200 1.00 1.84 C ATOM 1043 O TRP A 59 -15.060 9.360 6.758 1.00 1.91 O ATOM 1044 CB TRP A 59 -17.259 8.546 5.263 1.00 1.80 C ATOM 1045 CG TRP A 59 -16.298 9.480 4.685 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -15.332 9.207 3.723 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -16.196 10.835 4.960 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -14.670 10.342 3.436 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -15.181 11.338 4.175 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -16.916 11.637 5.832 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -14.834 12.680 4.224 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -16.577 12.987 5.888 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -15.549 13.502 5.094 1.00 3.69 C ATOM 0 H TRP A 59 -17.149 5.746 6.765 1.00 1.76 H new ATOM 0 HA TRP A 59 -15.801 7.003 5.724 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -17.733 7.958 4.477 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -18.052 9.090 5.776 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -15.144 8.241 3.279 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -13.905 10.431 2.767 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -17.708 11.231 6.444 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -14.038 13.074 3.610 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -17.116 13.644 6.554 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -15.305 14.552 5.155 1.00 3.69 H new ATOM 1064 N SER A 60 -15.849 8.249 8.523 1.00 1.88 N ATOM 1065 CA SER A 60 -15.048 9.057 9.352 1.00 1.98 C ATOM 1066 C SER A 60 -13.733 8.435 9.486 1.00 1.92 C ATOM 1067 O SER A 60 -12.700 9.084 9.212 1.00 1.98 O ATOM 1068 CB SER A 60 -15.701 9.206 10.727 1.00 2.09 C ATOM 1069 OG SER A 60 -15.728 7.948 11.382 1.00 2.15 O ATOM 0 H SER A 60 -16.427 7.555 8.997 1.00 1.88 H new ATOM 0 HA SER A 60 -14.943 10.048 8.911 1.00 1.98 H new ATOM 0 HB2 SER A 60 -15.147 9.928 11.327 1.00 2.09 H new ATOM 0 HB3 SER A 60 -16.714 9.593 10.619 1.00 2.09 H new ATOM 0 HG SER A 60 -14.930 7.854 11.943 1.00 2.15 H new ATOM 1075 N HIS A 61 -13.639 7.161 9.896 1.00 1.87 N ATOM 1076 CA HIS A 61 -12.376 6.546 10.023 1.00 1.91 C ATOM 1077 C HIS A 61 -12.317 5.293 9.271 1.00 1.97 C ATOM 1078 O HIS A 61 -13.072 4.354 9.605 1.00 2.60 O ATOM 1079 CB HIS A 61 -12.101 6.218 11.492 1.00 2.74 C ATOM 1080 CG HIS A 61 -12.013 7.443 12.280 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -13.028 8.246 12.620 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -10.861 7.974 12.844 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -12.540 9.254 13.358 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -11.216 9.088 13.497 1.00 4.06 N ATOM 0 H HIS A 61 -14.434 6.569 10.135 1.00 1.87 H new ATOM 0 HA HIS A 61 -11.635 7.243 9.632 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -12.895 5.582 11.884 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -11.171 5.656 11.578 1.00 2.74 H new ATOM 0 HD2 HIS A 61 -9.864 7.565 12.770 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -13.118 10.066 13.773 1.00 4.69 H new ATOM 0 HE2 HIS A 61 -10.587 9.705 14.012 1.00 4.06 H new ATOM 1093 N PRO A 62 -11.456 5.131 8.255 1.00 1.93 N ATOM 1094 CA PRO A 62 -11.299 3.899 7.575 1.00 2.45 C ATOM 1095 C PRO A 62 -11.042 2.820 8.484 1.00 2.07 C ATOM 1096 O PRO A 62 -10.307 2.986 9.445 1.00 2.31 O ATOM 1097 CB PRO A 62 -10.074 4.133 6.688 1.00 3.15 C ATOM 1098 CG PRO A 62 -10.091 5.643 6.459 1.00 2.98 C ATOM 1099 CD PRO A 62 -10.631 6.193 7.780 1.00 2.10 C ATOM 0 HA PRO A 62 -12.196 3.620 7.023 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -9.155 3.810 7.178 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -10.145 3.583 5.750 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -9.095 6.028 6.240 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -10.730 5.915 5.619 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -9.828 6.424 8.480 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -11.200 7.111 7.633 1.00 2.10 H new ATOM 1107 N GLN A 63 -11.571 1.643 8.249 1.00 1.69 N ATOM 1108 CA GLN A 63 -11.420 0.558 9.146 1.00 1.52 C ATOM 1109 C GLN A 63 -10.043 0.263 9.553 1.00 1.57 C ATOM 1110 O GLN A 63 -9.864 -0.415 10.588 1.00 1.92 O ATOM 1111 CB GLN A 63 -12.021 -0.708 8.533 1.00 1.70 C ATOM 1112 CG GLN A 63 -13.533 -0.537 8.387 1.00 2.04 C ATOM 1113 CD GLN A 63 -14.094 -1.716 7.737 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -15.092 -2.286 8.229 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -13.558 -2.171 6.596 1.00 2.72 N ATOM 0 H GLN A 63 -12.121 1.425 7.418 1.00 1.69 H new ATOM 0 HA GLN A 63 -11.945 0.871 10.049 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -11.571 -0.902 7.559 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -11.801 -1.570 9.163 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -13.990 -0.396 9.366 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -13.754 0.355 7.801 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -12.744 -1.706 6.194 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -13.964 -2.982 6.129 1.00 2.72 H new ATOM 1124 N PHE A 64 -8.964 0.642 8.855 1.00 1.51 N ATOM 1125 CA PHE A 64 -7.686 0.304 9.348 1.00 1.64 C ATOM 1126 C PHE A 64 -7.215 1.289 10.319 1.00 1.92 C ATOM 1127 O PHE A 64 -6.295 0.969 11.103 1.00 2.61 O ATOM 1128 CB PHE A 64 -6.689 0.179 8.198 1.00 1.89 C ATOM 1129 CG PHE A 64 -6.919 -1.074 7.487 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -8.114 -1.287 6.813 1.00 3.73 C ATOM 1131 CD2 PHE A 64 -5.926 -2.046 7.465 1.00 3.61 C ATOM 1132 CE1 PHE A 64 -8.321 -2.478 6.127 1.00 4.94 C ATOM 1133 CE2 PHE A 64 -6.134 -3.237 6.780 1.00 4.84 C ATOM 1134 CZ PHE A 64 -7.333 -3.454 6.113 1.00 5.47 C ATOM 0 H PHE A 64 -8.979 1.165 7.979 1.00 1.51 H new ATOM 0 HA PHE A 64 -7.766 -0.658 9.854 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -6.798 1.022 7.515 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -5.669 0.209 8.582 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -8.882 -0.528 6.822 1.00 3.73 H new ATOM 0 HD2 PHE A 64 -4.992 -1.876 7.980 1.00 3.61 H new ATOM 0 HE1 PHE A 64 -9.251 -2.645 5.604 1.00 4.94 H new ATOM 0 HE2 PHE A 64 -5.364 -3.994 6.766 1.00 4.84 H new ATOM 0 HZ PHE A 64 -7.497 -4.381 5.584 1.00 5.47 H new ATOM 1144 N GLU A 65 -7.724 2.528 10.374 1.00 2.15 N ATOM 1145 CA GLU A 65 -7.250 3.419 11.361 1.00 3.00 C ATOM 1146 C GLU A 65 -8.322 3.757 12.294 1.00 3.61 C ATOM 1147 O GLU A 65 -8.116 4.622 13.173 1.00 4.51 O ATOM 1148 CB GLU A 65 -6.708 4.697 10.720 1.00 3.51 C ATOM 1149 CG GLU A 65 -7.831 5.449 10.006 1.00 3.70 C ATOM 1150 CD GLU A 65 -7.288 6.688 9.457 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -6.789 7.543 10.220 1.00 5.13 O ATOM 1152 OE2 GLU A 65 -7.316 6.894 8.224 1.00 5.30 O ATOM 0 H GLU A 65 -8.442 2.899 9.752 1.00 2.15 H new ATOM 0 HA GLU A 65 -6.442 2.927 11.903 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -6.262 5.334 11.484 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -5.918 4.450 10.011 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -8.251 4.835 9.209 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -8.642 5.667 10.701 1.00 3.70 H new ATOM 1159 N LYS A 66 -9.510 3.136 12.238 1.00 3.38 N ATOM 1160 CA LYS A 66 -10.510 3.461 13.180 1.00 4.28 C ATOM 1161 C LYS A 66 -10.089 3.032 14.511 1.00 5.06 C ATOM 1162 O LYS A 66 -9.837 1.827 14.731 1.00 5.16 O ATOM 1163 CB LYS A 66 -11.825 2.767 12.816 1.00 4.09 C ATOM 1164 CG LYS A 66 -11.665 1.253 12.965 1.00 3.93 C ATOM 1165 CD LYS A 66 -12.983 0.560 12.614 1.00 4.32 C ATOM 1166 CE LYS A 66 -12.787 -0.957 12.649 1.00 4.83 C ATOM 1167 NZ LYS A 66 -12.439 -1.373 14.007 1.00 5.28 N ATOM 1168 OXT LYS A 66 -9.981 3.868 15.434 1.00 5.89 O ATOM 0 H LYS A 66 -9.768 2.425 11.553 1.00 3.38 H new ATOM 0 HA LYS A 66 -10.662 4.540 13.173 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -12.627 3.123 13.462 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -12.107 3.014 11.793 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -10.869 0.895 12.312 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -11.374 1.007 13.986 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -13.760 0.853 13.320 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -13.318 0.871 11.624 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -13.699 -1.460 12.326 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -11.999 -1.249 11.955 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -12.586 -2.398 14.105 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -11.441 -1.147 14.194 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -13.042 -0.870 14.689 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 6.778 -15.172 -5.308 1.00 4.10 N ATOM 1184 CA MET B 1 6.459 -14.680 -3.968 1.00 3.64 C ATOM 1185 C MET B 1 5.009 -14.549 -3.850 1.00 3.21 C ATOM 1186 O MET B 1 4.402 -13.751 -4.597 1.00 3.62 O ATOM 1187 CB MET B 1 7.113 -13.310 -3.769 1.00 4.45 C ATOM 1188 CG MET B 1 8.622 -13.432 -3.990 1.00 5.33 C ATOM 1189 SD MET B 1 9.330 -14.564 -2.783 1.00 5.99 S ATOM 1190 CE MET B 1 8.952 -13.451 -1.421 1.00 6.70 C ATOM 0 H1 MET B 1 7.732 -15.587 -5.308 1.00 4.10 H new ATOM 0 H2 MET B 1 6.085 -15.896 -5.586 1.00 4.10 H new ATOM 0 H3 MET B 1 6.744 -14.383 -5.985 1.00 4.10 H new ATOM 0 HA MET B 1 6.831 -15.373 -3.213 1.00 3.64 H new ATOM 0 HB2 MET B 1 6.689 -12.587 -4.466 1.00 4.45 H new ATOM 0 HB3 MET B 1 6.910 -12.940 -2.764 1.00 4.45 H new ATOM 0 HG2 MET B 1 8.822 -13.791 -4.999 1.00 5.33 H new ATOM 0 HG3 MET B 1 9.091 -12.452 -3.901 1.00 5.33 H new ATOM 0 HE1 MET B 1 9.772 -13.462 -0.703 1.00 6.70 H new ATOM 0 HE2 MET B 1 8.819 -12.439 -1.804 1.00 6.70 H new ATOM 0 HE3 MET B 1 8.035 -13.776 -0.929 1.00 6.70 H new ATOM 1202 N GLU B 2 4.325 -15.286 -2.963 1.00 2.53 N ATOM 1203 CA GLU B 2 2.921 -15.160 -2.884 1.00 2.22 C ATOM 1204 C GLU B 2 2.500 -14.874 -1.515 1.00 1.85 C ATOM 1205 O GLU B 2 1.302 -14.597 -1.289 1.00 1.99 O ATOM 1206 CB GLU B 2 2.267 -16.466 -3.338 1.00 2.48 C ATOM 1207 CG GLU B 2 2.689 -17.602 -2.404 1.00 2.85 C ATOM 1208 CD GLU B 2 2.120 -18.856 -2.888 1.00 3.41 C ATOM 1209 OE1 GLU B 2 2.446 -19.293 -4.013 1.00 3.99 O ATOM 1210 OE2 GLU B 2 1.303 -19.489 -2.186 1.00 3.75 O ATOM 0 H GLU B 2 4.741 -15.955 -2.315 1.00 2.53 H new ATOM 0 HA GLU B 2 2.614 -14.336 -3.528 1.00 2.22 H new ATOM 0 HB2 GLU B 2 1.182 -16.362 -3.334 1.00 2.48 H new ATOM 0 HB3 GLU B 2 2.561 -16.695 -4.362 1.00 2.48 H new ATOM 0 HG2 GLU B 2 3.776 -17.673 -2.365 1.00 2.85 H new ATOM 0 HG3 GLU B 2 2.346 -17.401 -1.389 1.00 2.85 H new ATOM 1217 N LYS B 3 3.374 -14.928 -0.501 1.00 1.85 N ATOM 1218 CA LYS B 3 2.934 -14.687 0.817 1.00 1.95 C ATOM 1219 C LYS B 3 4.067 -14.341 1.668 1.00 1.67 C ATOM 1220 O LYS B 3 5.227 -14.476 1.224 1.00 1.92 O ATOM 1221 CB LYS B 3 2.239 -15.937 1.359 1.00 2.60 C ATOM 1222 CG LYS B 3 3.263 -17.069 1.462 1.00 3.26 C ATOM 1223 CD LYS B 3 2.547 -18.380 1.793 1.00 3.92 C ATOM 1224 CE LYS B 3 1.916 -18.283 3.182 1.00 4.14 C ATOM 1225 NZ LYS B 3 1.209 -19.528 3.477 1.00 4.84 N ATOM 0 H LYS B 3 4.368 -15.136 -0.598 1.00 1.85 H new ATOM 0 HA LYS B 3 2.231 -13.854 0.813 1.00 1.95 H new ATOM 0 HB2 LYS B 3 1.804 -15.732 2.337 1.00 2.60 H new ATOM 0 HB3 LYS B 3 1.420 -16.228 0.701 1.00 2.60 H new ATOM 0 HG2 LYS B 3 3.807 -17.167 0.523 1.00 3.26 H new ATOM 0 HG3 LYS B 3 3.998 -16.839 2.234 1.00 3.26 H new ATOM 0 HD2 LYS B 3 1.779 -18.585 1.047 1.00 3.92 H new ATOM 0 HD3 LYS B 3 3.253 -19.210 1.760 1.00 3.92 H new ATOM 0 HE2 LYS B 3 2.686 -18.101 3.932 1.00 4.14 H new ATOM 0 HE3 LYS B 3 1.226 -17.440 3.223 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 0.938 -19.544 4.481 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 0.355 -19.590 2.887 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 1.830 -20.337 3.273 1.00 4.84 H new ATOM 1239 N ARG B 4 3.835 -13.869 2.902 1.00 1.50 N ATOM 1240 CA ARG B 4 4.869 -13.496 3.794 1.00 1.29 C ATOM 1241 C ARG B 4 5.858 -14.558 3.979 1.00 1.50 C ATOM 1242 O ARG B 4 5.514 -15.596 4.583 1.00 1.81 O ATOM 1243 CB ARG B 4 4.177 -13.231 5.134 1.00 1.45 C ATOM 1244 CG ARG B 4 5.159 -12.878 6.253 1.00 1.70 C ATOM 1245 CD ARG B 4 4.317 -12.638 7.510 1.00 2.72 C ATOM 1246 NE ARG B 4 5.121 -12.454 8.653 1.00 3.33 N ATOM 1247 CZ ARG B 4 4.528 -12.371 9.853 1.00 4.45 C ATOM 1248 NH1 ARG B 4 3.193 -12.444 9.939 1.00 5.09 N ATOM 1249 NH2 ARG B 4 5.256 -12.223 10.969 1.00 5.20 N ATOM 0 H ARG B 4 2.898 -13.745 3.285 1.00 1.50 H new ATOM 0 HA ARG B 4 5.405 -12.632 3.401 1.00 1.29 H new ATOM 0 HB2 ARG B 4 3.463 -12.416 5.013 1.00 1.45 H new ATOM 0 HB3 ARG B 4 3.607 -14.114 5.423 1.00 1.45 H new ATOM 0 HG2 ARG B 4 5.873 -13.686 6.412 1.00 1.70 H new ATOM 0 HG3 ARG B 4 5.736 -11.989 5.997 1.00 1.70 H new ATOM 0 HD2 ARG B 4 3.688 -11.760 7.363 1.00 2.72 H new ATOM 0 HD3 ARG B 4 3.650 -13.486 7.668 1.00 2.72 H new ATOM 0 HE ARG B 4 6.135 -12.385 8.569 1.00 3.33 H new ATOM 0 HH11 ARG B 4 2.633 -12.562 9.095 1.00 5.09 H new ATOM 0 HH12 ARG B 4 2.736 -12.382 10.849 1.00 5.09 H new ATOM 0 HH21 ARG B 4 6.273 -12.172 10.911 1.00 5.20 H new ATOM 0 HH22 ARG B 4 4.793 -12.161 11.876 1.00 5.20 H new ATOM 1263 N PRO B 5 7.106 -14.440 3.493 1.00 1.56 N ATOM 1264 CA PRO B 5 8.106 -15.418 3.710 1.00 1.84 C ATOM 1265 C PRO B 5 8.632 -15.367 5.048 1.00 1.57 C ATOM 1266 O PRO B 5 8.248 -16.154 5.899 1.00 1.86 O ATOM 1267 CB PRO B 5 9.170 -15.069 2.669 1.00 2.15 C ATOM 1268 CG PRO B 5 9.001 -13.561 2.479 1.00 2.06 C ATOM 1269 CD PRO B 5 7.516 -13.304 2.729 1.00 1.65 C ATOM 0 HA PRO B 5 7.728 -16.435 3.608 1.00 1.84 H new ATOM 0 HB2 PRO B 5 10.171 -15.320 3.019 1.00 2.15 H new ATOM 0 HB3 PRO B 5 9.013 -15.611 1.737 1.00 2.15 H new ATOM 0 HG2 PRO B 5 9.623 -13.001 3.178 1.00 2.06 H new ATOM 0 HG3 PRO B 5 9.293 -13.253 1.475 1.00 2.06 H new ATOM 0 HD2 PRO B 5 7.356 -12.374 3.275 1.00 1.65 H new ATOM 0 HD3 PRO B 5 6.959 -13.226 1.795 1.00 1.65 H new ATOM 1277 N ARG B 6 9.568 -14.497 5.343 1.00 1.20 N ATOM 1278 CA ARG B 6 10.118 -14.387 6.636 1.00 1.13 C ATOM 1279 C ARG B 6 10.187 -12.968 6.976 1.00 1.07 C ATOM 1280 O ARG B 6 11.305 -12.417 7.067 1.00 1.45 O ATOM 1281 CB ARG B 6 11.540 -14.951 6.650 1.00 1.21 C ATOM 1282 CG ARG B 6 11.517 -16.449 6.338 1.00 1.55 C ATOM 1283 CD ARG B 6 12.950 -16.985 6.326 1.00 1.87 C ATOM 1284 NE ARG B 6 13.527 -16.800 7.600 1.00 2.69 N ATOM 1285 CZ ARG B 6 14.693 -16.150 7.724 1.00 3.24 C ATOM 1286 NH1 ARG B 6 15.314 -15.668 6.638 1.00 3.20 N ATOM 1287 NH2 ARG B 6 15.237 -15.981 8.936 1.00 4.21 N ATOM 0 H ARG B 6 9.963 -13.843 4.667 1.00 1.20 H new ATOM 0 HA ARG B 6 9.502 -14.938 7.346 1.00 1.13 H new ATOM 0 HB2 ARG B 6 12.154 -14.429 5.916 1.00 1.21 H new ATOM 0 HB3 ARG B 6 11.997 -14.782 7.625 1.00 1.21 H new ATOM 0 HG2 ARG B 6 10.925 -16.979 7.084 1.00 1.55 H new ATOM 0 HG3 ARG B 6 11.043 -16.624 5.372 1.00 1.55 H new ATOM 0 HD2 ARG B 6 12.953 -18.043 6.063 1.00 1.87 H new ATOM 0 HD3 ARG B 6 13.538 -16.467 5.569 1.00 1.87 H new ATOM 0 HE ARG B 6 13.056 -17.162 8.429 1.00 2.69 H new ATOM 0 HH11 ARG B 6 14.899 -15.795 5.715 1.00 3.20 H new ATOM 0 HH12 ARG B 6 16.201 -15.174 6.735 1.00 3.20 H new ATOM 0 HH21 ARG B 6 14.764 -16.347 9.763 1.00 4.21 H new ATOM 0 HH22 ARG B 6 16.124 -15.487 9.032 1.00 4.21 H new ATOM 1301 N THR B 7 9.049 -12.288 7.186 1.00 0.98 N ATOM 1302 CA THR B 7 9.009 -10.912 7.516 1.00 0.87 C ATOM 1303 C THR B 7 9.887 -10.083 6.690 1.00 0.88 C ATOM 1304 O THR B 7 10.672 -9.282 7.244 1.00 0.89 O ATOM 1305 CB THR B 7 9.421 -10.712 8.978 1.00 0.86 C ATOM 1306 OG1 THR B 7 10.758 -11.142 9.184 1.00 0.94 O ATOM 1307 CG2 THR B 7 8.500 -11.524 9.888 1.00 0.90 C ATOM 0 H THR B 7 8.126 -12.718 7.122 1.00 0.98 H new ATOM 0 HA THR B 7 7.981 -10.597 7.337 1.00 0.87 H new ATOM 0 HB THR B 7 9.344 -9.650 9.213 1.00 0.86 H new ATOM 0 HG1 THR B 7 11.193 -11.286 8.317 1.00 0.94 H new ATOM 0 HG21 THR B 7 8.796 -11.380 10.927 1.00 0.90 H new ATOM 0 HG22 THR B 7 7.471 -11.191 9.754 1.00 0.90 H new ATOM 0 HG23 THR B 7 8.576 -12.581 9.633 1.00 0.90 H new ATOM 1315 N GLU B 8 9.850 -10.145 5.352 1.00 0.91 N ATOM 1316 CA GLU B 8 10.679 -9.290 4.595 1.00 0.98 C ATOM 1317 C GLU B 8 9.955 -8.739 3.451 1.00 0.96 C ATOM 1318 O GLU B 8 10.329 -9.064 2.304 1.00 1.30 O ATOM 1319 CB GLU B 8 11.925 -10.033 4.112 1.00 1.20 C ATOM 1320 CG GLU B 8 11.527 -11.286 3.336 1.00 1.29 C ATOM 1321 CD GLU B 8 12.727 -11.945 2.831 1.00 1.75 C ATOM 1322 OE1 GLU B 8 13.478 -11.350 2.028 1.00 2.26 O ATOM 1323 OE2 GLU B 8 13.002 -13.108 3.197 1.00 2.23 O ATOM 0 H GLU B 8 9.258 -10.775 4.810 1.00 0.91 H new ATOM 0 HA GLU B 8 10.987 -8.468 5.241 1.00 0.98 H new ATOM 0 HB2 GLU B 8 12.524 -9.379 3.478 1.00 1.20 H new ATOM 0 HB3 GLU B 8 12.547 -10.307 4.964 1.00 1.20 H new ATOM 0 HG2 GLU B 8 10.970 -11.965 3.981 1.00 1.29 H new ATOM 0 HG3 GLU B 8 10.869 -11.021 2.509 1.00 1.29 H new ATOM 1330 N PHE B 9 8.936 -7.884 3.652 1.00 0.75 N ATOM 1331 CA PHE B 9 8.217 -7.248 2.605 1.00 0.68 C ATOM 1332 C PHE B 9 8.116 -8.036 1.375 1.00 0.81 C ATOM 1333 O PHE B 9 8.898 -7.827 0.422 1.00 0.93 O ATOM 1334 CB PHE B 9 8.801 -5.860 2.323 1.00 0.55 C ATOM 1335 CG PHE B 9 10.210 -5.943 1.947 1.00 0.57 C ATOM 1336 CD1 PHE B 9 10.571 -6.275 0.647 1.00 0.87 C ATOM 1337 CD2 PHE B 9 11.195 -5.697 2.897 1.00 0.82 C ATOM 1338 CE1 PHE B 9 11.914 -6.363 0.299 1.00 0.92 C ATOM 1339 CE2 PHE B 9 12.538 -5.778 2.548 1.00 0.89 C ATOM 1340 CZ PHE B 9 12.898 -6.113 1.248 1.00 0.72 C ATOM 0 H PHE B 9 8.604 -7.629 4.582 1.00 0.75 H new ATOM 0 HA PHE B 9 7.193 -7.148 2.964 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.237 -5.381 1.523 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.695 -5.232 3.208 1.00 0.55 H new ATOM 0 HD1 PHE B 9 9.808 -6.465 -0.093 1.00 0.87 H new ATOM 0 HD2 PHE B 9 10.916 -5.442 3.909 1.00 0.82 H new ATOM 0 HE1 PHE B 9 12.193 -6.626 -0.711 1.00 0.92 H new ATOM 0 HE2 PHE B 9 13.301 -5.581 3.286 1.00 0.89 H new ATOM 0 HZ PHE B 9 13.941 -6.179 0.976 1.00 0.72 H new ATOM 1350 N SER B 10 7.156 -8.971 1.286 1.00 0.92 N ATOM 1351 CA SER B 10 7.002 -9.773 0.131 1.00 1.07 C ATOM 1352 C SER B 10 6.491 -8.991 -0.993 1.00 0.95 C ATOM 1353 O SER B 10 6.172 -7.796 -0.828 1.00 0.79 O ATOM 1354 CB SER B 10 5.991 -10.881 0.432 1.00 1.27 C ATOM 1355 OG SER B 10 5.936 -11.789 -0.659 1.00 1.65 O ATOM 0 H SER B 10 6.483 -9.167 2.027 1.00 0.92 H new ATOM 0 HA SER B 10 7.977 -10.182 -0.133 1.00 1.07 H new ATOM 0 HB2 SER B 10 6.275 -11.408 1.342 1.00 1.27 H new ATOM 0 HB3 SER B 10 5.006 -10.449 0.608 1.00 1.27 H new ATOM 0 HG SER B 10 5.045 -11.758 -1.066 1.00 1.65 H new ATOM 1361 N GLU B 11 6.349 -9.565 -2.198 1.00 1.08 N ATOM 1362 CA GLU B 11 5.893 -8.828 -3.317 1.00 1.08 C ATOM 1363 C GLU B 11 4.578 -8.237 -3.083 1.00 0.97 C ATOM 1364 O GLU B 11 4.351 -7.071 -3.472 1.00 0.94 O ATOM 1365 CB GLU B 11 5.821 -9.736 -4.545 1.00 1.26 C ATOM 1366 CG GLU B 11 5.357 -8.903 -5.742 1.00 1.21 C ATOM 1367 CD GLU B 11 5.349 -9.721 -6.951 1.00 1.81 C ATOM 1368 OE1 GLU B 11 4.654 -10.759 -6.997 1.00 2.60 O ATOM 1369 OE2 GLU B 11 6.026 -9.377 -7.944 1.00 2.29 O ATOM 0 H GLU B 11 6.553 -10.546 -2.391 1.00 1.08 H new ATOM 0 HA GLU B 11 6.605 -8.020 -3.485 1.00 1.08 H new ATOM 0 HB2 GLU B 11 6.797 -10.177 -4.747 1.00 1.26 H new ATOM 0 HB3 GLU B 11 5.130 -10.560 -4.366 1.00 1.26 H new ATOM 0 HG2 GLU B 11 4.359 -8.508 -5.555 1.00 1.21 H new ATOM 0 HG3 GLU B 11 6.018 -8.047 -5.877 1.00 1.21 H new ATOM 1376 N GLU B 12 3.611 -8.922 -2.452 1.00 0.93 N ATOM 1377 CA GLU B 12 2.347 -8.332 -2.211 1.00 0.82 C ATOM 1378 C GLU B 12 2.446 -7.247 -1.235 1.00 0.71 C ATOM 1379 O GLU B 12 1.454 -6.522 -1.010 1.00 0.70 O ATOM 1380 CB GLU B 12 1.386 -9.381 -1.646 1.00 0.86 C ATOM 1381 CG GLU B 12 1.120 -10.470 -2.686 1.00 1.17 C ATOM 1382 CD GLU B 12 2.355 -11.200 -2.951 1.00 2.12 C ATOM 1383 OE1 GLU B 12 2.969 -11.750 -2.011 1.00 2.73 O ATOM 1384 OE2 GLU B 12 2.797 -11.270 -4.118 1.00 2.45 O ATOM 0 H GLU B 12 3.709 -9.879 -2.113 1.00 0.93 H new ATOM 0 HA GLU B 12 1.983 -7.937 -3.159 1.00 0.82 H new ATOM 0 HB2 GLU B 12 1.810 -9.825 -0.745 1.00 0.86 H new ATOM 0 HB3 GLU B 12 0.448 -8.907 -1.357 1.00 0.86 H new ATOM 0 HG2 GLU B 12 0.351 -11.153 -2.325 1.00 1.17 H new ATOM 0 HG3 GLU B 12 0.743 -10.025 -3.607 1.00 1.17 H new ATOM 1391 N GLN B 13 3.585 -7.049 -0.559 1.00 0.67 N ATOM 1392 CA GLN B 13 3.707 -6.038 0.409 1.00 0.57 C ATOM 1393 C GLN B 13 4.576 -4.985 -0.119 1.00 0.52 C ATOM 1394 O GLN B 13 4.849 -3.989 0.584 1.00 0.47 O ATOM 1395 CB GLN B 13 4.326 -6.700 1.643 1.00 0.62 C ATOM 1396 CG GLN B 13 3.374 -7.797 2.133 1.00 0.82 C ATOM 1397 CD GLN B 13 4.035 -8.652 3.114 1.00 1.47 C ATOM 1398 OE1 GLN B 13 5.245 -8.489 3.381 1.00 2.34 O ATOM 1399 NE2 GLN B 13 3.344 -9.630 3.716 1.00 2.04 N ATOM 0 H GLN B 13 4.429 -7.605 -0.694 1.00 0.67 H new ATOM 0 HA GLN B 13 2.750 -5.584 0.665 1.00 0.57 H new ATOM 0 HB2 GLN B 13 5.299 -7.125 1.397 1.00 0.62 H new ATOM 0 HB3 GLN B 13 4.489 -5.961 2.428 1.00 0.62 H new ATOM 0 HG2 GLN B 13 2.487 -7.345 2.576 1.00 0.82 H new ATOM 0 HG3 GLN B 13 3.037 -8.397 1.288 1.00 0.82 H new ATOM 0 HE21 GLN B 13 2.356 -9.764 3.499 1.00 2.04 H new ATOM 0 HE22 GLN B 13 3.806 -10.240 4.391 1.00 2.04 H new ATOM 1408 N LYS B 14 5.069 -5.079 -1.365 1.00 0.57 N ATOM 1409 CA LYS B 14 5.883 -4.049 -1.884 1.00 0.57 C ATOM 1410 C LYS B 14 5.052 -3.006 -2.481 1.00 0.60 C ATOM 1411 O LYS B 14 5.443 -1.819 -2.438 1.00 0.60 O ATOM 1412 CB LYS B 14 6.826 -4.587 -2.965 1.00 0.65 C ATOM 1413 CG LYS B 14 7.926 -5.475 -2.376 1.00 0.67 C ATOM 1414 CD LYS B 14 8.814 -5.961 -3.525 1.00 1.04 C ATOM 1415 CE LYS B 14 10.013 -6.760 -3.008 1.00 1.36 C ATOM 1416 NZ LYS B 14 9.573 -8.016 -2.401 1.00 1.71 N ATOM 0 H LYS B 14 4.902 -5.861 -1.999 1.00 0.57 H new ATOM 0 HA LYS B 14 6.469 -3.643 -1.059 1.00 0.57 H new ATOM 0 HB2 LYS B 14 6.252 -5.157 -3.696 1.00 0.65 H new ATOM 0 HB3 LYS B 14 7.281 -3.752 -3.498 1.00 0.65 H new ATOM 0 HG2 LYS B 14 8.516 -4.917 -1.649 1.00 0.67 H new ATOM 0 HG3 LYS B 14 7.489 -6.323 -1.849 1.00 0.67 H new ATOM 0 HD2 LYS B 14 8.227 -6.581 -4.203 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.167 -5.105 -4.101 1.00 1.04 H new ATOM 0 HE2 LYS B 14 10.699 -6.968 -3.829 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.562 -6.169 -2.275 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 10.346 -8.711 -2.443 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 9.311 -7.849 -1.409 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 8.749 -8.382 -2.920 1.00 1.71 H new ATOM 1430 N LYS B 15 3.869 -3.281 -3.056 1.00 0.68 N ATOM 1431 CA LYS B 15 3.117 -2.210 -3.586 1.00 0.73 C ATOM 1432 C LYS B 15 2.479 -1.474 -2.500 1.00 0.66 C ATOM 1433 O LYS B 15 1.923 -0.386 -2.755 1.00 0.70 O ATOM 1434 CB LYS B 15 1.995 -2.677 -4.517 1.00 0.82 C ATOM 1435 CG LYS B 15 2.549 -3.156 -5.858 1.00 0.97 C ATOM 1436 CD LYS B 15 3.040 -4.596 -5.714 1.00 1.51 C ATOM 1437 CE LYS B 15 1.838 -5.480 -5.376 1.00 1.07 C ATOM 1438 NZ LYS B 15 2.222 -6.885 -5.477 1.00 1.94 N ATOM 0 H LYS B 15 3.454 -4.208 -3.148 1.00 0.68 H new ATOM 0 HA LYS B 15 3.819 -1.595 -4.149 1.00 0.73 H new ATOM 0 HB2 LYS B 15 1.438 -3.485 -4.042 1.00 0.82 H new ATOM 0 HB3 LYS B 15 1.293 -1.860 -4.682 1.00 0.82 H new ATOM 0 HG2 LYS B 15 1.777 -3.097 -6.626 1.00 0.97 H new ATOM 0 HG3 LYS B 15 3.367 -2.511 -6.178 1.00 0.97 H new ATOM 0 HD2 LYS B 15 3.510 -4.931 -6.638 1.00 1.51 H new ATOM 0 HD3 LYS B 15 3.794 -4.664 -4.930 1.00 1.51 H new ATOM 0 HE2 LYS B 15 1.484 -5.261 -4.369 1.00 1.07 H new ATOM 0 HE3 LYS B 15 1.014 -5.267 -6.057 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 1.405 -7.486 -5.247 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 2.540 -7.089 -6.446 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 2.995 -7.082 -4.810 1.00 1.94 H new ATOM 1452 N ALA B 16 2.468 -1.965 -1.251 1.00 0.58 N ATOM 1453 CA ALA B 16 1.895 -1.223 -0.201 1.00 0.53 C ATOM 1454 C ALA B 16 2.791 -0.118 0.113 1.00 0.50 C ATOM 1455 O ALA B 16 2.355 1.052 0.141 1.00 0.60 O ATOM 1456 CB ALA B 16 1.744 -2.120 1.030 1.00 0.46 C ATOM 0 H ALA B 16 2.855 -2.869 -0.980 1.00 0.58 H new ATOM 0 HA ALA B 16 0.914 -0.846 -0.492 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.300 -1.548 1.845 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.100 -2.965 0.787 1.00 0.46 H new ATOM 0 HB3 ALA B 16 2.724 -2.487 1.336 1.00 0.46 H new ATOM 1462 N LEU B 17 4.091 -0.365 0.326 1.00 0.44 N ATOM 1463 CA LEU B 17 4.988 0.680 0.634 1.00 0.46 C ATOM 1464 C LEU B 17 5.103 1.598 -0.497 1.00 0.57 C ATOM 1465 O LEU B 17 5.220 2.826 -0.292 1.00 0.71 O ATOM 1466 CB LEU B 17 6.358 0.050 0.891 1.00 0.42 C ATOM 1467 CG LEU B 17 6.438 -0.398 2.351 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.185 -1.201 2.700 1.00 0.38 C ATOM 1469 CD2 LEU B 17 7.675 -1.275 2.549 1.00 0.38 C ATOM 0 H LEU B 17 4.514 -1.292 0.283 1.00 0.44 H new ATOM 0 HA LEU B 17 4.631 1.233 1.503 1.00 0.46 H new ATOM 0 HB2 LEU B 17 6.511 -0.801 0.228 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.149 0.768 0.674 1.00 0.42 H new ATOM 0 HG LEU B 17 6.506 0.476 2.998 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.237 -1.523 3.740 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.302 -0.578 2.557 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.121 -2.075 2.052 1.00 0.38 H new ATOM 0 HD21 LEU B 17 7.732 -1.594 3.590 1.00 0.38 H new ATOM 0 HD22 LEU B 17 7.607 -2.151 1.904 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.569 -0.706 2.295 1.00 0.38 H new ATOM 1481 N ASP B 18 5.046 1.139 -1.756 1.00 0.59 N ATOM 1482 CA ASP B 18 5.134 2.044 -2.834 1.00 0.70 C ATOM 1483 C ASP B 18 3.927 2.859 -2.953 1.00 0.73 C ATOM 1484 O ASP B 18 3.934 3.861 -3.701 1.00 0.82 O ATOM 1485 CB ASP B 18 5.335 1.289 -4.147 1.00 0.76 C ATOM 1486 CG ASP B 18 5.532 2.263 -5.216 1.00 0.97 C ATOM 1487 OD1 ASP B 18 6.484 3.072 -5.167 1.00 1.74 O ATOM 1488 OD2 ASP B 18 4.727 2.302 -6.171 1.00 1.25 O ATOM 0 H ASP B 18 4.941 0.158 -2.016 1.00 0.59 H new ATOM 0 HA ASP B 18 5.986 2.695 -2.635 1.00 0.70 H new ATOM 0 HB2 ASP B 18 6.197 0.626 -4.075 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.469 0.663 -4.360 1.00 0.76 H new ATOM 1493 N LEU B 19 2.800 2.528 -2.307 1.00 0.67 N ATOM 1494 CA LEU B 19 1.645 3.316 -2.465 1.00 0.70 C ATOM 1495 C LEU B 19 1.706 4.510 -1.621 1.00 0.70 C ATOM 1496 O LEU B 19 0.758 5.323 -1.666 1.00 0.84 O ATOM 1497 CB LEU B 19 0.401 2.499 -2.112 1.00 0.60 C ATOM 1498 CG LEU B 19 -0.719 2.898 -3.074 1.00 0.68 C ATOM 1499 CD1 LEU B 19 -0.277 2.543 -4.494 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -2.005 2.138 -2.754 1.00 0.69 C ATOM 0 H LEU B 19 2.698 1.725 -1.686 1.00 0.67 H new ATOM 0 HA LEU B 19 1.589 3.631 -3.507 1.00 0.70 H new ATOM 0 HB2 LEU B 19 0.611 1.432 -2.193 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.102 2.687 -1.081 1.00 0.60 H new ATOM 0 HG LEU B 19 -0.913 3.966 -2.977 1.00 0.68 H new ATOM 0 HD11 LEU B 19 -1.061 2.819 -5.199 1.00 1.16 H new ATOM 0 HD12 LEU B 19 0.637 3.086 -4.737 1.00 1.16 H new ATOM 0 HD13 LEU B 19 -0.091 1.471 -4.560 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -2.788 2.438 -3.451 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -1.827 1.067 -2.847 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -2.319 2.367 -1.736 1.00 0.69 H new ATOM 1512 N ALA B 20 2.733 4.730 -0.784 1.00 0.62 N ATOM 1513 CA ALA B 20 2.719 5.846 0.082 1.00 0.69 C ATOM 1514 C ALA B 20 3.591 6.945 -0.330 1.00 0.83 C ATOM 1515 O ALA B 20 3.750 7.877 0.481 1.00 1.20 O ATOM 1516 CB ALA B 20 3.162 5.396 1.474 1.00 0.72 C ATOM 0 H ALA B 20 3.561 4.138 -0.713 1.00 0.62 H new ATOM 0 HA ALA B 20 1.697 6.225 0.064 1.00 0.69 H new ATOM 0 HB1 ALA B 20 3.155 6.250 2.152 1.00 0.72 H new ATOM 0 HB2 ALA B 20 2.478 4.633 1.845 1.00 0.72 H new ATOM 0 HB3 ALA B 20 4.170 4.984 1.420 1.00 0.72 H new ATOM 1522 N PHE B 21 4.212 7.017 -1.517 1.00 0.88 N ATOM 1523 CA PHE B 21 5.050 8.126 -1.806 1.00 1.17 C ATOM 1524 C PHE B 21 4.333 9.399 -1.908 1.00 1.60 C ATOM 1525 O PHE B 21 4.094 9.901 -3.027 1.00 2.21 O ATOM 1526 CB PHE B 21 5.782 7.868 -3.123 1.00 1.29 C ATOM 1527 CG PHE B 21 6.890 6.952 -2.876 1.00 1.15 C ATOM 1528 CD1 PHE B 21 6.662 5.621 -2.551 1.00 1.40 C ATOM 1529 CD2 PHE B 21 8.190 7.428 -2.996 1.00 1.63 C ATOM 1530 CE1 PHE B 21 7.741 4.776 -2.320 1.00 1.60 C ATOM 1531 CE2 PHE B 21 9.267 6.578 -2.781 1.00 1.73 C ATOM 1532 CZ PHE B 21 9.042 5.252 -2.436 1.00 1.50 C ATOM 0 H PHE B 21 4.135 6.322 -2.260 1.00 0.88 H new ATOM 0 HA PHE B 21 5.742 8.219 -0.969 1.00 1.17 H new ATOM 0 HB2 PHE B 21 5.098 7.443 -3.857 1.00 1.29 H new ATOM 0 HB3 PHE B 21 6.153 8.805 -3.538 1.00 1.29 H new ATOM 0 HD1 PHE B 21 5.652 5.245 -2.478 1.00 1.40 H new ATOM 0 HD2 PHE B 21 8.363 8.462 -3.257 1.00 1.63 H new ATOM 0 HE1 PHE B 21 7.568 3.745 -2.049 1.00 1.60 H new ATOM 0 HE2 PHE B 21 10.277 6.947 -2.882 1.00 1.73 H new ATOM 0 HZ PHE B 21 9.877 4.591 -2.258 1.00 1.50 H new ATOM 1542 N TYR B 22 3.987 10.049 -0.786 1.00 1.98 N ATOM 1543 CA TYR B 22 3.329 11.294 -0.823 1.00 2.49 C ATOM 1544 C TYR B 22 3.930 12.208 0.147 1.00 2.37 C ATOM 1545 O TYR B 22 3.380 12.350 1.259 1.00 2.86 O ATOM 1546 CB TYR B 22 1.838 11.168 -0.523 1.00 3.05 C ATOM 1547 CG TYR B 22 1.606 10.906 0.891 1.00 4.38 C ATOM 1548 CD1 TYR B 22 1.600 11.964 1.792 1.00 4.57 C ATOM 1549 CD2 TYR B 22 1.320 9.618 1.322 1.00 4.86 C ATOM 1550 CE1 TYR B 22 1.341 11.730 3.136 1.00 5.05 C ATOM 1551 CE2 TYR B 22 1.039 9.389 2.662 1.00 5.32 C ATOM 1552 CZ TYR B 22 1.059 10.440 3.571 1.00 5.69 C ATOM 1553 OH TYR B 22 0.805 10.216 4.877 1.00 5.95 O ATOM 0 H TYR B 22 4.170 9.698 0.154 1.00 1.98 H new ATOM 0 HA TYR B 22 3.442 11.684 -1.835 1.00 2.49 H new ATOM 0 HB2 TYR B 22 1.327 12.086 -0.814 1.00 3.05 H new ATOM 0 HB3 TYR B 22 1.411 10.362 -1.120 1.00 3.05 H new ATOM 0 HD1 TYR B 22 1.797 12.968 1.447 1.00 4.57 H new ATOM 0 HD2 TYR B 22 1.316 8.798 0.619 1.00 4.86 H new ATOM 0 HE1 TYR B 22 1.359 12.548 3.841 1.00 5.05 H new ATOM 0 HE2 TYR B 22 0.804 8.390 2.999 1.00 5.32 H new ATOM 0 HH TYR B 22 1.597 9.826 5.302 1.00 5.95 H new ATOM 1563 N PHE B 23 5.067 12.866 -0.124 1.00 2.53 N ATOM 1564 CA PHE B 23 5.651 13.758 0.809 1.00 3.15 C ATOM 1565 C PHE B 23 5.978 13.135 2.095 1.00 3.06 C ATOM 1566 O PHE B 23 7.175 12.862 2.324 1.00 3.59 O ATOM 1567 CB PHE B 23 4.690 14.921 1.074 1.00 3.86 C ATOM 1568 CG PHE B 23 4.359 15.581 -0.185 1.00 4.36 C ATOM 1569 CD1 PHE B 23 5.322 16.305 -0.878 1.00 5.13 C ATOM 1570 CD2 PHE B 23 3.063 15.495 -0.681 1.00 4.54 C ATOM 1571 CE1 PHE B 23 4.989 16.935 -2.072 1.00 5.84 C ATOM 1572 CE2 PHE B 23 2.731 16.123 -1.875 1.00 5.32 C ATOM 1573 CZ PHE B 23 3.696 16.841 -2.572 1.00 6.77 C ATOM 0 H PHE B 23 5.582 12.775 -1.000 1.00 2.53 H new ATOM 0 HA PHE B 23 6.585 14.096 0.361 1.00 3.15 H new ATOM 0 HB2 PHE B 23 3.782 14.554 1.553 1.00 3.86 H new ATOM 0 HB3 PHE B 23 5.147 15.634 1.761 1.00 3.86 H new ATOM 0 HD1 PHE B 23 6.327 16.378 -0.490 1.00 5.13 H new ATOM 0 HD2 PHE B 23 2.313 14.939 -0.137 1.00 4.54 H new ATOM 0 HE1 PHE B 23 5.736 17.498 -2.611 1.00 5.84 H new ATOM 0 HE2 PHE B 23 1.725 16.053 -2.261 1.00 5.32 H new ATOM 0 HZ PHE B 23 3.441 17.326 -3.503 1.00 6.77 H new ATOM 1583 N ASP B 24 5.079 12.949 3.075 1.00 2.69 N ATOM 1584 CA ASP B 24 5.499 12.407 4.314 1.00 2.83 C ATOM 1585 C ASP B 24 5.343 10.954 4.335 1.00 2.45 C ATOM 1586 O ASP B 24 5.833 10.297 5.280 1.00 2.75 O ATOM 1587 CB ASP B 24 4.673 13.015 5.449 1.00 3.32 C ATOM 1588 CG ASP B 24 4.905 14.455 5.506 1.00 3.96 C ATOM 1589 OD1 ASP B 24 6.070 14.897 5.611 1.00 4.51 O ATOM 1590 OD2 ASP B 24 3.937 15.246 5.475 1.00 4.25 O ATOM 0 H ASP B 24 4.085 13.170 3.008 1.00 2.69 H new ATOM 0 HA ASP B 24 6.554 12.646 4.447 1.00 2.83 H new ATOM 0 HB2 ASP B 24 3.614 12.813 5.290 1.00 3.32 H new ATOM 0 HB3 ASP B 24 4.946 12.554 6.398 1.00 3.32 H new ATOM 1595 N ARG B 25 4.700 10.350 3.325 1.00 2.47 N ATOM 1596 CA ARG B 25 4.503 8.951 3.258 1.00 2.98 C ATOM 1597 C ARG B 25 4.019 8.423 4.536 1.00 2.30 C ATOM 1598 O ARG B 25 3.428 9.152 5.363 1.00 2.72 O ATOM 1599 CB ARG B 25 5.828 8.229 2.962 1.00 4.08 C ATOM 1600 CG ARG B 25 6.485 8.682 1.656 1.00 4.68 C ATOM 1601 CD ARG B 25 7.538 9.744 1.973 1.00 5.32 C ATOM 1602 NE ARG B 25 8.217 10.139 0.803 1.00 5.75 N ATOM 1603 CZ ARG B 25 9.272 10.960 0.900 1.00 6.57 C ATOM 1604 NH1 ARG B 25 9.682 11.374 2.107 1.00 7.03 N ATOM 1605 NH2 ARG B 25 9.919 11.368 -0.200 1.00 7.21 N ATOM 0 H ARG B 25 4.307 10.857 2.532 1.00 2.47 H new ATOM 0 HA ARG B 25 3.773 8.778 2.467 1.00 2.98 H new ATOM 0 HB2 ARG B 25 6.519 8.400 3.787 1.00 4.08 H new ATOM 0 HB3 ARG B 25 5.646 7.155 2.916 1.00 4.08 H new ATOM 0 HG2 ARG B 25 6.946 7.833 1.152 1.00 4.68 H new ATOM 0 HG3 ARG B 25 5.734 9.087 0.977 1.00 4.68 H new ATOM 0 HD2 ARG B 25 7.061 10.610 2.432 1.00 5.32 H new ATOM 0 HD3 ARG B 25 8.251 9.351 2.698 1.00 5.32 H new ATOM 0 HE ARG B 25 7.908 9.803 -0.109 1.00 5.75 H new ATOM 0 HH11 ARG B 25 9.192 11.064 2.946 1.00 7.03 H new ATOM 0 HH12 ARG B 25 10.484 11.999 2.186 1.00 7.03 H new ATOM 0 HH21 ARG B 25 9.610 11.054 -1.120 1.00 7.21 H new ATOM 0 HH22 ARG B 25 10.721 11.993 -0.118 1.00 7.21 H new ATOM 1619 N ARG B 26 4.250 7.133 4.817 1.00 1.75 N ATOM 1620 CA ARG B 26 3.966 6.569 6.077 1.00 1.34 C ATOM 1621 C ARG B 26 5.269 6.077 6.502 1.00 1.19 C ATOM 1622 O ARG B 26 5.431 4.880 6.823 1.00 2.05 O ATOM 1623 CB ARG B 26 3.016 5.369 5.996 1.00 2.02 C ATOM 1624 CG ARG B 26 1.541 5.779 5.935 1.00 2.50 C ATOM 1625 CD ARG B 26 1.214 6.409 4.582 1.00 2.91 C ATOM 1626 NE ARG B 26 -0.184 6.474 4.400 1.00 3.64 N ATOM 1627 CZ ARG B 26 -0.947 7.288 5.143 1.00 4.57 C ATOM 1628 NH1 ARG B 26 -0.402 8.090 6.067 1.00 5.01 N ATOM 1629 NH2 ARG B 26 -2.274 7.302 4.955 1.00 5.37 N ATOM 0 H ARG B 26 4.644 6.473 4.147 1.00 1.75 H new ATOM 0 HA ARG B 26 3.487 7.294 6.736 1.00 1.34 H new ATOM 0 HB2 ARG B 26 3.260 4.778 5.114 1.00 2.02 H new ATOM 0 HB3 ARG B 26 3.174 4.728 6.863 1.00 2.02 H new ATOM 0 HG2 ARG B 26 0.908 4.907 6.099 1.00 2.50 H new ATOM 0 HG3 ARG B 26 1.321 6.487 6.734 1.00 2.50 H new ATOM 0 HD2 ARG B 26 1.642 7.410 4.526 1.00 2.91 H new ATOM 0 HD3 ARG B 26 1.666 5.823 3.781 1.00 2.91 H new ATOM 0 HE ARG B 26 -0.623 5.890 3.688 1.00 3.64 H new ATOM 0 HH11 ARG B 26 0.607 8.087 6.213 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -0.996 8.704 6.624 1.00 5.01 H new ATOM 0 HH21 ARG B 26 -2.696 6.696 4.251 1.00 5.37 H new ATOM 0 HH22 ARG B 26 -2.862 7.918 5.516 1.00 5.37 H new ATOM 1643 N LEU B 27 6.309 6.921 6.473 1.00 0.90 N ATOM 1644 CA LEU B 27 7.601 6.453 6.775 1.00 0.73 C ATOM 1645 C LEU B 27 8.056 7.076 8.016 1.00 0.77 C ATOM 1646 O LEU B 27 9.276 7.226 8.235 1.00 1.03 O ATOM 1647 CB LEU B 27 8.491 6.814 5.580 1.00 0.72 C ATOM 1648 CG LEU B 27 9.803 6.023 5.565 1.00 0.80 C ATOM 1649 CD1 LEU B 27 10.761 6.523 6.646 1.00 1.23 C ATOM 1650 CD2 LEU B 27 9.522 4.535 5.780 1.00 0.87 C ATOM 0 H LEU B 27 6.248 7.913 6.243 1.00 0.90 H new ATOM 0 HA LEU B 27 7.630 5.375 6.932 1.00 0.73 H new ATOM 0 HB2 LEU B 27 7.946 6.625 4.655 1.00 0.72 H new ATOM 0 HB3 LEU B 27 8.714 7.881 5.606 1.00 0.72 H new ATOM 0 HG LEU B 27 10.272 6.170 4.592 1.00 0.80 H new ATOM 0 HD11 LEU B 27 11.683 5.943 6.611 1.00 1.23 H new ATOM 0 HD12 LEU B 27 10.987 7.575 6.473 1.00 1.23 H new ATOM 0 HD13 LEU B 27 10.297 6.408 7.625 1.00 1.23 H new ATOM 0 HD21 LEU B 27 10.461 3.982 5.768 1.00 0.87 H new ATOM 0 HD22 LEU B 27 9.030 4.393 6.742 1.00 0.87 H new ATOM 0 HD23 LEU B 27 8.874 4.168 4.984 1.00 0.87 H new ATOM 1662 N THR B 28 7.162 7.422 8.954 1.00 0.82 N ATOM 1663 CA THR B 28 7.597 7.973 10.176 1.00 0.93 C ATOM 1664 C THR B 28 7.291 6.988 11.205 1.00 0.87 C ATOM 1665 O THR B 28 6.446 6.111 10.935 1.00 0.80 O ATOM 1666 CB THR B 28 6.826 9.263 10.458 1.00 1.12 C ATOM 1667 OG1 THR B 28 5.451 8.944 10.621 1.00 1.30 O ATOM 1668 CG2 THR B 28 6.993 10.223 9.279 1.00 1.25 C ATOM 0 H THR B 28 6.152 7.319 8.860 1.00 0.82 H new ATOM 0 HA THR B 28 8.662 8.206 10.151 1.00 0.93 H new ATOM 0 HB THR B 28 7.207 9.737 11.362 1.00 1.12 H new ATOM 0 HG1 THR B 28 4.945 9.763 10.804 1.00 1.30 H new ATOM 0 HG21 THR B 28 6.444 11.143 9.478 1.00 1.25 H new ATOM 0 HG22 THR B 28 8.050 10.453 9.144 1.00 1.25 H new ATOM 0 HG23 THR B 28 6.604 9.758 8.373 1.00 1.25 H new ATOM 1676 N PRO B 29 7.905 6.986 12.397 1.00 0.93 N ATOM 1677 CA PRO B 29 7.648 6.007 13.390 1.00 0.90 C ATOM 1678 C PRO B 29 6.258 5.761 13.626 1.00 0.82 C ATOM 1679 O PRO B 29 5.846 4.613 13.681 1.00 0.81 O ATOM 1680 CB PRO B 29 8.312 6.607 14.629 1.00 1.01 C ATOM 1681 CG PRO B 29 9.487 7.381 14.036 1.00 1.10 C ATOM 1682 CD PRO B 29 8.916 7.935 12.730 1.00 1.06 C ATOM 0 HA PRO B 29 8.029 5.030 13.095 1.00 0.90 H new ATOM 0 HB2 PRO B 29 7.632 7.259 15.177 1.00 1.01 H new ATOM 0 HB3 PRO B 29 8.644 5.836 15.324 1.00 1.01 H new ATOM 0 HG2 PRO B 29 9.820 8.178 14.700 1.00 1.10 H new ATOM 0 HG3 PRO B 29 10.346 6.735 13.858 1.00 1.10 H new ATOM 0 HD2 PRO B 29 8.504 8.935 12.862 1.00 1.06 H new ATOM 0 HD3 PRO B 29 9.677 8.004 11.953 1.00 1.06 H new ATOM 1690 N GLU B 30 5.429 6.770 13.750 1.00 0.82 N ATOM 1691 CA GLU B 30 4.052 6.563 13.974 1.00 0.81 C ATOM 1692 C GLU B 30 3.428 5.833 12.872 1.00 0.79 C ATOM 1693 O GLU B 30 2.483 5.049 13.110 1.00 0.84 O ATOM 1694 CB GLU B 30 3.358 7.919 14.117 1.00 0.88 C ATOM 1695 CG GLU B 30 1.869 7.699 14.394 1.00 1.45 C ATOM 1696 CD GLU B 30 1.214 8.985 14.617 1.00 2.08 C ATOM 1697 OE1 GLU B 30 1.237 9.863 13.729 1.00 2.70 O ATOM 1698 OE2 GLU B 30 0.623 9.204 15.697 1.00 2.61 O ATOM 0 H GLU B 30 5.708 7.750 13.696 1.00 0.82 H new ATOM 0 HA GLU B 30 3.946 5.971 14.883 1.00 0.81 H new ATOM 0 HB2 GLU B 30 3.810 8.488 14.929 1.00 0.88 H new ATOM 0 HB3 GLU B 30 3.488 8.504 13.207 1.00 0.88 H new ATOM 0 HG2 GLU B 30 1.405 7.185 13.552 1.00 1.45 H new ATOM 0 HG3 GLU B 30 1.742 7.059 15.267 1.00 1.45 H new ATOM 1705 N TRP B 31 3.840 6.002 11.607 1.00 0.77 N ATOM 1706 CA TRP B 31 3.165 5.327 10.572 1.00 0.78 C ATOM 1707 C TRP B 31 3.937 4.196 10.061 1.00 0.69 C ATOM 1708 O TRP B 31 3.448 3.495 9.151 1.00 0.70 O ATOM 1709 CB TRP B 31 2.848 6.319 9.455 1.00 0.92 C ATOM 1710 CG TRP B 31 1.863 7.279 9.944 1.00 1.37 C ATOM 1711 CD1 TRP B 31 2.105 8.451 10.654 1.00 2.28 C ATOM 1712 CD2 TRP B 31 0.489 7.204 9.782 1.00 1.67 C ATOM 1713 NE1 TRP B 31 0.929 9.047 10.923 1.00 2.57 N ATOM 1714 CE2 TRP B 31 -0.060 8.305 10.403 1.00 2.12 C ATOM 1715 CE3 TRP B 31 -0.295 6.257 9.143 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 -1.431 8.508 10.423 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 -1.675 6.453 9.152 1.00 3.12 C ATOM 1718 CH2 TRP B 31 -2.235 7.563 9.788 1.00 3.02 C ATOM 0 H TRP B 31 4.620 6.591 11.315 1.00 0.77 H new ATOM 0 HA TRP B 31 2.238 4.916 10.973 1.00 0.78 H new ATOM 0 HB2 TRP B 31 3.755 6.836 9.141 1.00 0.92 H new ATOM 0 HB3 TRP B 31 2.462 5.793 8.582 1.00 0.92 H new ATOM 0 HD1 TRP B 31 3.078 8.822 10.942 1.00 2.28 H new ATOM 0 HE1 TRP B 31 0.809 9.919 11.438 1.00 2.57 H new ATOM 0 HE3 TRP B 31 0.146 5.400 8.657 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 -1.861 9.369 10.914 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 -2.319 5.738 8.661 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -3.307 7.691 9.788 1.00 3.02 H new ATOM 1729 N ARG B 32 5.128 3.871 10.585 1.00 0.68 N ATOM 1730 CA ARG B 32 5.778 2.684 10.182 1.00 0.61 C ATOM 1731 C ARG B 32 5.097 1.623 10.914 1.00 0.61 C ATOM 1732 O ARG B 32 4.771 0.553 10.358 1.00 0.60 O ATOM 1733 CB ARG B 32 7.246 2.709 10.616 1.00 0.66 C ATOM 1734 CG ARG B 32 8.052 3.723 9.801 1.00 0.89 C ATOM 1735 CD ARG B 32 9.408 3.924 10.482 1.00 0.80 C ATOM 1736 NE ARG B 32 10.033 5.084 9.978 1.00 0.83 N ATOM 1737 CZ ARG B 32 11.144 5.561 10.555 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.699 4.923 11.595 1.00 0.82 N ATOM 1739 NH2 ARG B 32 11.696 6.689 10.087 1.00 0.97 N ATOM 0 H ARG B 32 5.630 4.426 11.278 1.00 0.68 H new ATOM 0 HA ARG B 32 5.746 2.554 9.100 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.310 2.958 11.675 1.00 0.66 H new ATOM 0 HB3 ARG B 32 7.680 1.716 10.496 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.190 3.365 8.781 1.00 0.89 H new ATOM 0 HG3 ARG B 32 7.516 4.670 9.737 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.273 4.013 11.560 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.043 3.055 10.310 1.00 0.80 H new ATOM 0 HE ARG B 32 9.637 5.563 9.169 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.275 4.067 11.953 1.00 0.82 H new ATOM 0 HH12 ARG B 32 12.545 5.293 12.028 1.00 0.82 H new ATOM 0 HH21 ARG B 32 11.270 7.176 9.298 1.00 0.97 H new ATOM 0 HH22 ARG B 32 12.542 7.060 10.519 1.00 0.97 H new ATOM 1753 N ARG B 33 4.800 1.861 12.200 1.00 0.66 N ATOM 1754 CA ARG B 33 4.110 0.925 12.997 1.00 0.69 C ATOM 1755 C ARG B 33 2.751 0.728 12.495 1.00 0.71 C ATOM 1756 O ARG B 33 2.238 -0.412 12.528 1.00 0.73 O ATOM 1757 CB ARG B 33 4.025 1.505 14.409 1.00 0.79 C ATOM 1758 CG ARG B 33 3.406 0.478 15.358 1.00 1.15 C ATOM 1759 CD ARG B 33 3.232 1.126 16.732 1.00 1.14 C ATOM 1760 NE ARG B 33 4.483 1.586 17.192 1.00 1.66 N ATOM 1761 CZ ARG B 33 4.640 2.874 17.528 1.00 2.23 C ATOM 1762 NH1 ARG B 33 3.610 3.726 17.421 1.00 2.27 N ATOM 1763 NH2 ARG B 33 5.827 3.311 17.970 1.00 3.10 N ATOM 0 H ARG B 33 5.047 2.722 12.687 1.00 0.66 H new ATOM 0 HA ARG B 33 4.632 -0.032 12.981 1.00 0.69 H new ATOM 0 HB2 ARG B 33 5.020 1.782 14.758 1.00 0.79 H new ATOM 0 HB3 ARG B 33 3.425 2.415 14.402 1.00 0.79 H new ATOM 0 HG2 ARG B 33 2.443 0.140 14.974 1.00 1.15 H new ATOM 0 HG3 ARG B 33 4.045 -0.402 15.433 1.00 1.15 H new ATOM 0 HD2 ARG B 33 2.527 1.955 16.669 1.00 1.14 H new ATOM 0 HD3 ARG B 33 2.815 0.406 17.436 1.00 1.14 H new ATOM 0 HE ARG B 33 5.268 0.939 17.269 1.00 1.66 H new ATOM 0 HH11 ARG B 33 2.706 3.394 17.084 1.00 2.27 H new ATOM 0 HH12 ARG B 33 3.730 4.706 17.677 1.00 2.27 H new ATOM 0 HH21 ARG B 33 6.611 2.664 18.051 1.00 3.10 H new ATOM 0 HH22 ARG B 33 5.947 4.291 18.226 1.00 3.10 H new ATOM 1777 N TYR B 34 2.083 1.784 12.003 1.00 0.73 N ATOM 1778 CA TYR B 34 0.750 1.708 11.540 1.00 0.76 C ATOM 1779 C TYR B 34 0.521 0.612 10.601 1.00 0.64 C ATOM 1780 O TYR B 34 -0.451 -0.153 10.784 1.00 0.67 O ATOM 1781 CB TYR B 34 0.432 3.014 10.810 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.924 2.953 10.279 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -2.012 3.025 11.141 1.00 1.23 C ATOM 1784 CD2 TYR B 34 -1.123 2.805 8.912 1.00 1.37 C ATOM 1785 CE1 TYR B 34 -3.304 2.954 10.633 1.00 1.18 C ATOM 1786 CE2 TYR B 34 -2.415 2.728 8.405 1.00 1.64 C ATOM 1787 CZ TYR B 34 -3.503 2.803 9.266 1.00 1.18 C ATOM 1788 OH TYR B 34 -4.756 2.723 8.772 1.00 1.42 O ATOM 0 H TYR B 34 2.490 2.716 11.928 1.00 0.73 H new ATOM 0 HA TYR B 34 0.115 1.535 12.409 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.530 3.858 11.493 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.145 3.174 10.001 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.854 3.136 12.204 1.00 1.23 H new ATOM 0 HD2 TYR B 34 -0.276 2.750 8.245 1.00 1.37 H new ATOM 0 HE1 TYR B 34 -4.152 3.016 11.299 1.00 1.18 H new ATOM 0 HE2 TYR B 34 -2.573 2.610 7.343 1.00 1.64 H new ATOM 0 HH TYR B 34 -4.722 2.411 7.844 1.00 1.42 H new ATOM 1798 N LEU B 35 1.311 0.426 9.534 1.00 0.55 N ATOM 1799 CA LEU B 35 1.002 -0.617 8.637 1.00 0.49 C ATOM 1800 C LEU B 35 1.779 -1.813 8.944 1.00 0.45 C ATOM 1801 O LEU B 35 1.342 -2.921 8.570 1.00 0.46 O ATOM 1802 CB LEU B 35 1.222 -0.204 7.178 1.00 0.57 C ATOM 1803 CG LEU B 35 2.714 -0.215 6.833 1.00 0.66 C ATOM 1804 CD1 LEU B 35 2.878 -0.208 5.314 1.00 1.03 C ATOM 1805 CD2 LEU B 35 3.395 1.020 7.424 1.00 1.32 C ATOM 0 H LEU B 35 2.135 0.981 9.303 1.00 0.55 H new ATOM 0 HA LEU B 35 -0.057 -0.841 8.762 1.00 0.49 H new ATOM 0 HB2 LEU B 35 0.686 -0.885 6.517 1.00 0.57 H new ATOM 0 HB3 LEU B 35 0.812 0.792 7.011 1.00 0.57 H new ATOM 0 HG LEU B 35 3.175 -1.110 7.251 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.939 -0.216 5.063 1.00 1.03 H new ATOM 0 HD12 LEU B 35 2.399 -1.091 4.892 1.00 1.03 H new ATOM 0 HD13 LEU B 35 2.414 0.688 4.902 1.00 1.03 H new ATOM 0 HD21 LEU B 35 4.456 1.005 7.174 1.00 1.32 H new ATOM 0 HD22 LEU B 35 2.938 1.920 7.012 1.00 1.32 H new ATOM 0 HD23 LEU B 35 3.277 1.017 8.508 1.00 1.32 H new ATOM 1817 N SER B 36 2.942 -1.745 9.613 1.00 0.46 N ATOM 1818 CA SER B 36 3.686 -2.920 9.864 1.00 0.48 C ATOM 1819 C SER B 36 2.915 -3.845 10.692 1.00 0.59 C ATOM 1820 O SER B 36 3.100 -5.077 10.581 1.00 0.66 O ATOM 1821 CB SER B 36 4.954 -2.545 10.629 1.00 0.52 C ATOM 1822 OG SER B 36 4.578 -2.067 11.911 1.00 1.35 O ATOM 0 H SER B 36 3.356 -0.885 9.973 1.00 0.46 H new ATOM 0 HA SER B 36 3.926 -3.395 8.913 1.00 0.48 H new ATOM 0 HB2 SER B 36 5.610 -3.411 10.724 1.00 0.52 H new ATOM 0 HB3 SER B 36 5.512 -1.781 10.088 1.00 0.52 H new ATOM 0 HG SER B 36 5.352 -2.099 12.512 1.00 1.35 H new ATOM 1828 N GLN B 37 1.999 -3.353 11.539 1.00 0.67 N ATOM 1829 CA GLN B 37 1.193 -4.180 12.350 1.00 0.80 C ATOM 1830 C GLN B 37 0.503 -5.207 11.572 1.00 0.75 C ATOM 1831 O GLN B 37 0.474 -6.384 11.992 1.00 0.86 O ATOM 1832 CB GLN B 37 0.137 -3.295 13.016 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.743 -4.149 13.930 1.00 1.09 C ATOM 1834 CD GLN B 37 -1.744 -3.304 14.573 1.00 1.99 C ATOM 1835 OE1 GLN B 37 -1.793 -2.082 14.315 1.00 2.71 O ATOM 1836 NE2 GLN B 37 -2.613 -3.841 15.440 1.00 2.65 N ATOM 0 H GLN B 37 1.820 -2.356 11.657 1.00 0.67 H new ATOM 0 HA GLN B 37 1.833 -4.680 13.077 1.00 0.80 H new ATOM 0 HB2 GLN B 37 0.620 -2.506 13.592 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.475 -2.807 12.257 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.231 -4.934 13.352 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.130 -4.643 14.684 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -2.573 -4.838 15.651 1.00 2.65 H new ATOM 0 HE22 GLN B 37 -3.315 -3.253 15.889 1.00 2.65 H new ATOM 1845 N ARG B 38 -0.118 -4.895 10.425 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.795 -5.900 9.705 1.00 0.68 C ATOM 1847 C ARG B 38 -0.067 -6.244 8.487 1.00 0.59 C ATOM 1848 O ARG B 38 -0.522 -7.139 7.743 1.00 0.65 O ATOM 1849 CB ARG B 38 -2.207 -5.431 9.349 1.00 0.74 C ATOM 1850 CG ARG B 38 -3.011 -5.228 10.635 1.00 1.20 C ATOM 1851 CD ARG B 38 -4.460 -4.872 10.296 1.00 1.55 C ATOM 1852 NE ARG B 38 -5.076 -5.963 9.645 1.00 1.77 N ATOM 1853 CZ ARG B 38 -6.373 -5.901 9.314 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -7.091 -4.815 9.633 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.960 -6.920 8.670 1.00 3.07 N ATOM 0 H ARG B 38 -0.147 -3.964 10.010 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.858 -6.788 10.335 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -2.162 -4.500 8.784 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.697 -6.167 8.712 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.982 -6.135 11.238 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -2.563 -4.434 11.232 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -5.006 -4.623 11.206 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -4.488 -3.990 9.656 1.00 1.55 H new ATOM 0 HE ARG B 38 -4.534 -6.799 9.427 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -6.650 -4.039 10.126 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -8.078 -4.765 9.382 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -6.419 -7.750 8.429 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -7.948 -6.865 8.422 1.00 3.07 H new ATOM 1869 N LEU B 39 1.070 -5.612 8.158 1.00 0.55 N ATOM 1870 CA LEU B 39 1.755 -5.968 6.977 1.00 0.47 C ATOM 1871 C LEU B 39 2.475 -7.218 7.224 1.00 0.51 C ATOM 1872 O LEU B 39 2.438 -8.135 6.374 1.00 0.53 O ATOM 1873 CB LEU B 39 2.724 -4.850 6.585 1.00 0.36 C ATOM 1874 CG LEU B 39 3.210 -5.085 5.154 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.002 -5.056 4.217 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.175 -3.971 4.744 1.00 0.24 C ATOM 0 H LEU B 39 1.503 -4.868 8.705 1.00 0.55 H new ATOM 0 HA LEU B 39 1.054 -6.109 6.155 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.230 -3.881 6.660 1.00 0.36 H new ATOM 0 HB3 LEU B 39 3.571 -4.829 7.271 1.00 0.36 H new ATOM 0 HG LEU B 39 3.719 -6.047 5.095 1.00 0.30 H new ATOM 0 HD11 LEU B 39 2.333 -5.222 3.192 1.00 0.34 H new ATOM 0 HD12 LEU B 39 1.300 -5.839 4.504 1.00 0.34 H new ATOM 0 HD13 LEU B 39 1.511 -4.086 4.287 1.00 0.34 H new ATOM 0 HD21 LEU B 39 4.518 -4.144 3.724 1.00 0.24 H new ATOM 0 HD22 LEU B 39 3.664 -3.009 4.797 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.031 -3.965 5.418 1.00 0.24 H new ATOM 1888 N GLY B 40 3.134 -7.405 8.379 1.00 0.56 N ATOM 1889 CA GLY B 40 3.746 -8.649 8.653 1.00 0.64 C ATOM 1890 C GLY B 40 5.176 -8.518 8.926 1.00 0.60 C ATOM 1891 O GLY B 40 5.815 -9.518 9.316 1.00 0.68 O ATOM 0 H GLY B 40 3.238 -6.701 9.109 1.00 0.56 H new ATOM 0 HA2 GLY B 40 3.256 -9.111 9.510 1.00 0.64 H new ATOM 0 HA3 GLY B 40 3.601 -9.317 7.804 1.00 0.64 H new ATOM 1895 N LEU B 41 5.816 -7.353 8.759 1.00 0.54 N ATOM 1896 CA LEU B 41 7.193 -7.260 9.060 1.00 0.54 C ATOM 1897 C LEU B 41 7.427 -6.135 9.964 1.00 0.50 C ATOM 1898 O LEU B 41 6.470 -5.390 10.262 1.00 0.59 O ATOM 1899 CB LEU B 41 8.023 -7.124 7.781 1.00 0.56 C ATOM 1900 CG LEU B 41 7.400 -6.125 6.803 1.00 0.59 C ATOM 1901 CD1 LEU B 41 6.289 -6.814 6.011 1.00 0.60 C ATOM 1902 CD2 LEU B 41 6.813 -4.936 7.563 1.00 1.25 C ATOM 0 H LEU B 41 5.384 -6.493 8.421 1.00 0.54 H new ATOM 0 HA LEU B 41 7.508 -8.177 9.558 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.033 -6.802 8.035 1.00 0.56 H new ATOM 0 HB3 LEU B 41 8.111 -8.098 7.299 1.00 0.56 H new ATOM 0 HG LEU B 41 8.174 -5.767 6.124 1.00 0.59 H new ATOM 0 HD11 LEU B 41 5.845 -6.103 5.314 1.00 0.60 H new ATOM 0 HD12 LEU B 41 6.705 -7.655 5.456 1.00 0.60 H new ATOM 0 HD13 LEU B 41 5.524 -7.176 6.697 1.00 0.60 H new ATOM 0 HD21 LEU B 41 6.373 -4.233 6.855 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.044 -5.288 8.251 1.00 1.25 H new ATOM 0 HD23 LEU B 41 7.603 -4.438 8.126 1.00 1.25 H new ATOM 1914 N ASN B 42 8.630 -5.945 10.529 1.00 0.51 N ATOM 1915 CA ASN B 42 8.846 -4.881 11.438 1.00 0.53 C ATOM 1916 C ASN B 42 8.978 -3.586 10.768 1.00 0.44 C ATOM 1917 O ASN B 42 9.033 -3.507 9.523 1.00 0.38 O ATOM 1918 CB ASN B 42 10.129 -5.146 12.227 1.00 0.66 C ATOM 1919 CG ASN B 42 9.920 -6.255 13.153 1.00 0.81 C ATOM 1920 OD1 ASN B 42 9.470 -7.344 12.738 1.00 1.11 O ATOM 1921 ND2 ASN B 42 10.190 -6.096 14.456 1.00 1.45 N ATOM 0 H ASN B 42 9.447 -6.530 10.353 1.00 0.51 H new ATOM 0 HA ASN B 42 7.975 -4.836 12.092 1.00 0.53 H new ATOM 0 HB2 ASN B 42 10.945 -5.380 11.544 1.00 0.66 H new ATOM 0 HB3 ASN B 42 10.420 -4.251 12.777 1.00 0.66 H new ATOM 0 HD21 ASN B 42 10.028 -6.864 15.108 1.00 1.45 H new ATOM 0 HD22 ASN B 42 10.557 -5.207 14.796 1.00 1.45 H new ATOM 1928 N GLU B 43 9.109 -2.476 11.512 1.00 0.47 N ATOM 1929 CA GLU B 43 9.247 -1.207 10.904 1.00 0.45 C ATOM 1930 C GLU B 43 10.514 -1.128 10.183 1.00 0.40 C ATOM 1931 O GLU B 43 10.637 -0.342 9.219 1.00 0.38 O ATOM 1932 CB GLU B 43 9.229 -0.111 11.973 1.00 0.56 C ATOM 1933 CG GLU B 43 7.925 -0.164 12.771 1.00 0.67 C ATOM 1934 CD GLU B 43 7.902 -1.368 13.596 1.00 0.87 C ATOM 1935 OE1 GLU B 43 8.806 -1.565 14.436 1.00 1.77 O ATOM 1936 OE2 GLU B 43 6.977 -2.199 13.468 1.00 1.31 O ATOM 0 H GLU B 43 9.119 -2.465 12.532 1.00 0.47 H new ATOM 0 HA GLU B 43 8.418 -1.068 10.210 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.079 -0.235 12.644 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.335 0.866 11.502 1.00 0.56 H new ATOM 0 HG2 GLU B 43 7.836 0.722 13.400 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.072 -0.160 12.093 1.00 0.67 H new ATOM 1943 N GLU B 44 11.538 -1.907 10.562 1.00 0.46 N ATOM 1944 CA GLU B 44 12.770 -1.894 9.879 1.00 0.46 C ATOM 1945 C GLU B 44 12.581 -2.307 8.492 1.00 0.40 C ATOM 1946 O GLU B 44 13.212 -1.741 7.574 1.00 0.43 O ATOM 1947 CB GLU B 44 13.708 -2.884 10.572 1.00 0.60 C ATOM 1948 CG GLU B 44 15.061 -2.887 9.859 1.00 1.05 C ATOM 1949 CD GLU B 44 15.990 -3.759 10.574 1.00 1.49 C ATOM 1950 OE1 GLU B 44 15.714 -4.967 10.739 1.00 1.77 O ATOM 1951 OE2 GLU B 44 17.062 -3.296 11.018 1.00 2.32 O ATOM 0 H GLU B 44 11.502 -2.550 11.353 1.00 0.46 H new ATOM 0 HA GLU B 44 13.189 -0.888 9.892 1.00 0.46 H new ATOM 0 HB2 GLU B 44 13.837 -2.608 11.619 1.00 0.60 H new ATOM 0 HB3 GLU B 44 13.275 -3.884 10.557 1.00 0.60 H new ATOM 0 HG2 GLU B 44 14.941 -3.231 8.832 1.00 1.05 H new ATOM 0 HG3 GLU B 44 15.461 -1.874 9.812 1.00 1.05 H new ATOM 1958 N GLN B 45 11.716 -3.286 8.193 1.00 0.40 N ATOM 1959 CA GLN B 45 11.567 -3.715 6.859 1.00 0.41 C ATOM 1960 C GLN B 45 10.797 -2.745 6.081 1.00 0.35 C ATOM 1961 O GLN B 45 10.743 -2.860 4.837 1.00 0.41 O ATOM 1962 CB GLN B 45 10.851 -5.064 6.871 1.00 0.51 C ATOM 1963 CG GLN B 45 11.664 -6.049 7.714 1.00 0.60 C ATOM 1964 CD GLN B 45 12.998 -6.211 7.143 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.006 -5.894 7.811 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.144 -6.699 5.904 1.00 0.97 N ATOM 0 H GLN B 45 11.129 -3.771 8.872 1.00 0.40 H new ATOM 0 HA GLN B 45 12.548 -3.808 6.393 1.00 0.41 H new ATOM 0 HB2 GLN B 45 9.848 -4.955 7.282 1.00 0.51 H new ATOM 0 HB3 GLN B 45 10.739 -5.441 5.854 1.00 0.51 H new ATOM 0 HG2 GLN B 45 11.740 -5.687 8.739 1.00 0.60 H new ATOM 0 HG3 GLN B 45 11.156 -7.013 7.753 1.00 0.60 H new ATOM 0 HE21 GLN B 45 12.322 -6.958 5.358 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.077 -6.812 5.507 1.00 0.97 H new ATOM 1975 N ILE B 46 10.165 -1.729 6.689 1.00 0.29 N ATOM 1976 CA ILE B 46 9.495 -0.747 5.934 1.00 0.30 C ATOM 1977 C ILE B 46 10.522 0.162 5.440 1.00 0.39 C ATOM 1978 O ILE B 46 10.553 0.494 4.237 1.00 0.52 O ATOM 1979 CB ILE B 46 8.532 0.041 6.828 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.485 -0.888 7.446 1.00 0.36 C ATOM 1981 CG2 ILE B 46 7.821 1.105 5.989 1.00 0.45 C ATOM 1982 CD1 ILE B 46 6.645 -1.524 6.338 1.00 0.38 C ATOM 0 H ILE B 46 10.124 -1.596 7.700 1.00 0.29 H new ATOM 0 HA ILE B 46 8.924 -1.203 5.126 1.00 0.30 H new ATOM 0 HB ILE B 46 9.104 0.510 7.629 1.00 0.35 H new ATOM 0 HG12 ILE B 46 7.975 -1.663 8.035 1.00 0.36 H new ATOM 0 HG13 ILE B 46 6.844 -0.328 8.126 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.135 1.668 6.621 1.00 0.45 H new ATOM 0 HG22 ILE B 46 8.559 1.783 5.560 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.262 0.623 5.187 1.00 0.45 H new ATOM 0 HD11 ILE B 46 5.900 -2.185 6.780 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.143 -0.742 5.768 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.292 -2.098 5.675 1.00 0.38 H new ATOM 1994 N GLU B 47 11.443 0.609 6.305 1.00 0.38 N ATOM 1995 CA GLU B 47 12.472 1.488 5.907 1.00 0.47 C ATOM 1996 C GLU B 47 13.370 0.852 4.944 1.00 0.51 C ATOM 1997 O GLU B 47 13.928 1.552 4.071 1.00 0.62 O ATOM 1998 CB GLU B 47 13.281 1.846 7.153 1.00 0.50 C ATOM 1999 CG GLU B 47 12.396 2.614 8.135 1.00 0.51 C ATOM 2000 CD GLU B 47 13.149 2.861 9.361 1.00 0.55 C ATOM 2001 OE1 GLU B 47 14.222 3.501 9.317 1.00 1.11 O ATOM 2002 OE2 GLU B 47 12.718 2.437 10.455 1.00 1.19 O ATOM 0 H GLU B 47 11.468 0.353 7.292 1.00 0.38 H new ATOM 0 HA GLU B 47 12.030 2.367 5.438 1.00 0.47 H new ATOM 0 HB2 GLU B 47 13.663 0.940 7.624 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.145 2.450 6.877 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.075 3.558 7.694 1.00 0.51 H new ATOM 0 HG3 GLU B 47 11.495 2.042 8.356 1.00 0.51 H new ATOM 2009 N ARG B 48 13.587 -0.471 4.980 1.00 0.48 N ATOM 2010 CA ARG B 48 14.476 -1.071 4.064 1.00 0.55 C ATOM 2011 C ARG B 48 13.885 -1.195 2.737 1.00 0.60 C ATOM 2012 O ARG B 48 14.572 -0.858 1.751 1.00 0.68 O ATOM 2013 CB ARG B 48 14.843 -2.470 4.562 1.00 0.56 C ATOM 2014 CG ARG B 48 16.215 -2.448 5.241 1.00 0.62 C ATOM 2015 CD ARG B 48 16.237 -1.507 6.446 1.00 0.60 C ATOM 2016 NE ARG B 48 17.501 -1.605 7.064 1.00 0.71 N ATOM 2017 CZ ARG B 48 17.799 -0.846 8.127 1.00 0.80 C ATOM 2018 NH1 ARG B 48 16.909 0.038 8.597 1.00 0.79 N ATOM 2019 NH2 ARG B 48 18.995 -0.972 8.719 1.00 0.94 N ATOM 0 H ARG B 48 13.148 -1.113 5.640 1.00 0.48 H new ATOM 0 HA ARG B 48 15.358 -0.435 3.992 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.088 -2.824 5.264 1.00 0.56 H new ATOM 0 HB3 ARG B 48 14.854 -3.170 3.726 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.478 -3.456 5.562 1.00 0.62 H new ATOM 0 HG3 ARG B 48 16.972 -2.135 4.522 1.00 0.62 H new ATOM 0 HD2 ARG B 48 16.048 -0.481 6.130 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.449 -1.774 7.150 1.00 0.60 H new ATOM 0 HE ARG B 48 18.194 -2.259 6.699 1.00 0.71 H new ATOM 0 HH11 ARG B 48 16.000 0.136 8.145 1.00 0.79 H new ATOM 0 HH12 ARG B 48 17.141 0.614 9.407 1.00 0.79 H new ATOM 0 HH21 ARG B 48 19.674 -1.644 8.360 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.226 -0.396 9.529 1.00 0.94 H new ATOM 2033 N TRP B 49 12.639 -1.640 2.526 1.00 0.56 N ATOM 2034 CA TRP B 49 12.175 -1.679 1.194 1.00 0.64 C ATOM 2035 C TRP B 49 11.950 -0.327 0.691 1.00 0.69 C ATOM 2036 O TRP B 49 12.107 -0.090 -0.526 1.00 0.81 O ATOM 2037 CB TRP B 49 10.889 -2.489 1.058 1.00 0.75 C ATOM 2038 CG TRP B 49 10.540 -2.507 -0.359 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.368 -2.056 -0.959 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.363 -2.930 -1.389 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.478 -2.209 -2.291 1.00 1.29 N ATOM 2042 CE2 TRP B 49 10.681 -2.733 -2.569 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.648 -3.448 -1.358 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 11.259 -3.054 -3.788 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 13.237 -3.775 -2.577 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.549 -3.581 -3.776 1.00 3.63 C ATOM 0 H TRP B 49 11.986 -1.957 3.242 1.00 0.56 H new ATOM 0 HA TRP B 49 12.949 -2.169 0.603 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.031 -3.503 1.432 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.088 -2.041 1.646 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.512 -1.650 -0.441 1.00 0.90 H new ATOM 0 HE1 TRP B 49 8.763 -1.966 -2.977 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.172 -3.592 -0.425 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 10.727 -2.901 -4.715 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 14.237 -4.183 -2.595 1.00 3.66 H new ATOM 0 HH2 TRP B 49 13.024 -3.844 -4.710 1.00 3.63 H new ATOM 2057 N PHE B 50 11.557 0.637 1.535 1.00 0.65 N ATOM 2058 CA PHE B 50 11.319 1.957 1.096 1.00 0.72 C ATOM 2059 C PHE B 50 12.514 2.497 0.451 1.00 0.78 C ATOM 2060 O PHE B 50 12.432 3.012 -0.686 1.00 0.89 O ATOM 2061 CB PHE B 50 10.982 2.814 2.320 1.00 0.72 C ATOM 2062 CG PHE B 50 10.690 4.191 1.929 1.00 0.86 C ATOM 2063 CD1 PHE B 50 9.492 4.491 1.290 1.00 1.66 C ATOM 2064 CD2 PHE B 50 11.602 5.204 2.203 1.00 1.33 C ATOM 2065 CE1 PHE B 50 9.199 5.804 0.941 1.00 2.06 C ATOM 2066 CE2 PHE B 50 11.312 6.516 1.845 1.00 1.54 C ATOM 2067 CZ PHE B 50 10.109 6.817 1.217 1.00 1.68 C ATOM 0 H PHE B 50 11.404 0.492 2.533 1.00 0.65 H new ATOM 0 HA PHE B 50 10.498 1.964 0.379 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.123 2.390 2.840 1.00 0.72 H new ATOM 0 HB3 PHE B 50 11.818 2.800 3.020 1.00 0.72 H new ATOM 0 HD1 PHE B 50 8.789 3.703 1.065 1.00 1.66 H new ATOM 0 HD2 PHE B 50 12.536 4.972 2.694 1.00 1.33 H new ATOM 0 HE1 PHE B 50 8.263 6.037 0.455 1.00 2.06 H new ATOM 0 HE2 PHE B 50 12.022 7.302 2.055 1.00 1.54 H new ATOM 0 HZ PHE B 50 9.882 7.837 0.944 1.00 1.68 H new ATOM 2077 N ARG B 51 13.699 2.463 1.078 1.00 0.75 N ATOM 2078 CA ARG B 51 14.832 3.014 0.444 1.00 0.82 C ATOM 2079 C ARG B 51 15.371 2.111 -0.576 1.00 0.87 C ATOM 2080 O ARG B 51 15.806 2.593 -1.642 1.00 0.99 O ATOM 2081 CB ARG B 51 15.870 3.424 1.494 1.00 0.80 C ATOM 2082 CG ARG B 51 16.466 2.224 2.233 1.00 0.78 C ATOM 2083 CD ARG B 51 17.795 1.840 1.579 1.00 1.15 C ATOM 2084 NE ARG B 51 18.391 0.787 2.302 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.652 0.907 2.739 1.00 1.92 C ATOM 2086 NH1 ARG B 51 20.340 2.032 2.500 1.00 2.22 N ATOM 2087 NH2 ARG B 51 20.227 -0.098 3.414 1.00 2.46 N ATOM 0 H ARG B 51 13.863 2.063 2.002 1.00 0.75 H new ATOM 0 HA ARG B 51 14.537 3.916 -0.091 1.00 0.82 H new ATOM 0 HB2 ARG B 51 16.671 3.982 1.009 1.00 0.80 H new ATOM 0 HB3 ARG B 51 15.405 4.096 2.216 1.00 0.80 H new ATOM 0 HG2 ARG B 51 16.621 2.469 3.284 1.00 0.78 H new ATOM 0 HG3 ARG B 51 15.775 1.382 2.201 1.00 0.78 H new ATOM 0 HD2 ARG B 51 17.629 1.537 0.545 1.00 1.15 H new ATOM 0 HD3 ARG B 51 18.462 2.701 1.555 1.00 1.15 H new ATOM 0 HE ARG B 51 17.863 -0.065 2.492 1.00 1.48 H new ATOM 0 HH11 ARG B 51 19.904 2.797 1.985 1.00 2.22 H new ATOM 0 HH12 ARG B 51 21.300 2.123 2.833 1.00 2.22 H new ATOM 0 HH21 ARG B 51 19.705 -0.955 3.595 1.00 2.46 H new ATOM 0 HH22 ARG B 51 21.187 -0.006 3.746 1.00 2.46 H new ATOM 2101 N ARG B 52 15.388 0.776 -0.435 1.00 0.84 N ATOM 2102 CA ARG B 52 15.914 -0.036 -1.473 1.00 0.98 C ATOM 2103 C ARG B 52 15.114 0.032 -2.698 1.00 1.11 C ATOM 2104 O ARG B 52 15.575 -0.451 -3.755 1.00 1.27 O ATOM 2105 CB ARG B 52 15.963 -1.496 -1.014 1.00 1.02 C ATOM 2106 CG ARG B 52 16.966 -1.665 0.128 1.00 1.23 C ATOM 2107 CD ARG B 52 18.387 -1.758 -0.437 1.00 1.31 C ATOM 2108 NE ARG B 52 18.803 -0.510 -0.945 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.912 -0.437 -1.693 1.00 2.25 C ATOM 2110 NH1 ARG B 52 20.612 -1.548 -1.960 1.00 2.15 N ATOM 2111 NH2 ARG B 52 20.326 0.745 -2.171 1.00 3.07 N ATOM 0 H ARG B 52 15.044 0.271 0.382 1.00 0.84 H new ATOM 0 HA ARG B 52 16.913 0.342 -1.693 1.00 0.98 H new ATOM 0 HB2 ARG B 52 14.973 -1.814 -0.687 1.00 1.02 H new ATOM 0 HB3 ARG B 52 16.243 -2.137 -1.850 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.893 -0.822 0.816 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.733 -2.564 0.699 1.00 1.23 H new ATOM 0 HD2 ARG B 52 19.074 -2.086 0.344 1.00 1.31 H new ATOM 0 HD3 ARG B 52 18.421 -2.508 -1.227 1.00 1.31 H new ATOM 0 HE ARG B 52 18.263 0.332 -0.744 1.00 1.79 H new ATOM 0 HH11 ARG B 52 20.300 -2.448 -1.594 1.00 2.15 H new ATOM 0 HH12 ARG B 52 21.457 -1.494 -2.529 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.796 1.592 -1.965 1.00 3.07 H new ATOM 0 HH22 ARG B 52 21.171 0.797 -2.740 1.00 3.07 H new ATOM 2125 N LYS B 53 13.891 0.578 -2.711 1.00 1.08 N ATOM 2126 CA LYS B 53 13.157 0.685 -3.911 1.00 1.25 C ATOM 2127 C LYS B 53 13.603 1.836 -4.695 1.00 1.35 C ATOM 2128 O LYS B 53 13.463 1.836 -5.937 1.00 1.57 O ATOM 2129 CB LYS B 53 11.675 0.833 -3.578 1.00 1.20 C ATOM 2130 CG LYS B 53 10.859 0.871 -4.870 1.00 1.31 C ATOM 2131 CD LYS B 53 9.374 0.819 -4.514 1.00 1.89 C ATOM 2132 CE LYS B 53 9.075 1.868 -3.445 1.00 2.23 C ATOM 2133 NZ LYS B 53 9.540 1.397 -2.141 1.00 2.62 N ATOM 0 H LYS B 53 13.416 0.944 -1.886 1.00 1.08 H new ATOM 0 HA LYS B 53 13.319 -0.215 -4.504 1.00 1.25 H new ATOM 0 HB2 LYS B 53 11.348 0.001 -2.954 1.00 1.20 H new ATOM 0 HB3 LYS B 53 11.510 1.746 -3.005 1.00 1.20 H new ATOM 0 HG2 LYS B 53 11.081 1.779 -5.431 1.00 1.31 H new ATOM 0 HG3 LYS B 53 11.124 0.029 -5.509 1.00 1.31 H new ATOM 0 HD2 LYS B 53 8.769 1.004 -5.401 1.00 1.89 H new ATOM 0 HD3 LYS B 53 9.110 -0.174 -4.150 1.00 1.89 H new ATOM 0 HE2 LYS B 53 9.566 2.808 -3.698 1.00 2.23 H new ATOM 0 HE3 LYS B 53 8.004 2.068 -3.408 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 8.830 1.625 -1.416 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 9.682 0.367 -2.174 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 10.439 1.863 -1.904 1.00 2.62 H new ATOM 2147 N GLU B 54 14.066 2.924 -4.062 1.00 1.24 N ATOM 2148 CA GLU B 54 14.439 4.089 -4.767 1.00 1.34 C ATOM 2149 C GLU B 54 15.895 4.181 -4.895 1.00 1.32 C ATOM 2150 O GLU B 54 16.409 4.417 -6.009 1.00 1.39 O ATOM 2151 CB GLU B 54 13.840 5.303 -4.043 1.00 1.34 C ATOM 2152 CG GLU B 54 14.313 5.354 -2.588 1.00 1.18 C ATOM 2153 CD GLU B 54 13.589 6.384 -1.849 1.00 1.29 C ATOM 2154 OE1 GLU B 54 12.346 6.324 -1.746 1.00 1.61 O ATOM 2155 OE2 GLU B 54 14.216 7.319 -1.304 1.00 1.87 O ATOM 0 H GLU B 54 14.180 2.989 -3.050 1.00 1.24 H new ATOM 0 HA GLU B 54 14.048 4.056 -5.784 1.00 1.34 H new ATOM 0 HB2 GLU B 54 14.131 6.219 -4.557 1.00 1.34 H new ATOM 0 HB3 GLU B 54 12.752 5.251 -4.075 1.00 1.34 H new ATOM 0 HG2 GLU B 54 14.159 4.384 -2.116 1.00 1.18 H new ATOM 0 HG3 GLU B 54 15.383 5.559 -2.555 1.00 1.18 H new ATOM 2162 N GLN B 55 16.689 4.000 -3.829 1.00 1.24 N ATOM 2163 CA GLN B 55 18.090 4.146 -3.921 1.00 1.27 C ATOM 2164 C GLN B 55 18.685 3.144 -4.806 1.00 1.34 C ATOM 2165 O GLN B 55 19.850 3.316 -5.226 1.00 1.42 O ATOM 2166 CB GLN B 55 18.699 3.943 -2.531 1.00 1.22 C ATOM 2167 CG GLN B 55 18.177 4.981 -1.534 1.00 1.35 C ATOM 2168 CD GLN B 55 18.560 6.326 -1.949 1.00 2.14 C ATOM 2169 OE1 GLN B 55 19.758 6.590 -2.191 1.00 2.60 O ATOM 2170 NE2 GLN B 55 17.626 7.281 -2.057 1.00 2.89 N ATOM 0 H GLN B 55 16.350 3.751 -2.900 1.00 1.24 H new ATOM 0 HA GLN B 55 18.293 5.140 -4.319 1.00 1.27 H new ATOM 0 HB2 GLN B 55 18.463 2.941 -2.172 1.00 1.22 H new ATOM 0 HB3 GLN B 55 19.785 4.012 -2.595 1.00 1.22 H new ATOM 0 HG2 GLN B 55 17.092 4.911 -1.462 1.00 1.35 H new ATOM 0 HG3 GLN B 55 18.576 4.773 -0.541 1.00 1.35 H new ATOM 0 HE21 GLN B 55 16.649 7.064 -1.859 1.00 2.89 H new ATOM 0 HE22 GLN B 55 17.892 8.225 -2.337 1.00 2.89 H new ATOM 2179 N GLN B 56 18.018 2.032 -5.149 1.00 1.34 N ATOM 2180 CA GLN B 56 18.603 1.086 -6.016 1.00 1.42 C ATOM 2181 C GLN B 56 18.747 1.627 -7.365 1.00 1.55 C ATOM 2182 O GLN B 56 19.704 1.256 -8.078 1.00 1.60 O ATOM 2183 CB GLN B 56 17.715 -0.157 -6.083 1.00 1.47 C ATOM 2184 CG GLN B 56 18.363 -1.194 -7.003 1.00 1.65 C ATOM 2185 CD GLN B 56 19.684 -1.552 -6.494 1.00 1.83 C ATOM 2186 OE1 GLN B 56 20.694 -1.396 -7.215 1.00 2.40 O ATOM 2187 NE2 GLN B 56 19.813 -2.058 -5.261 1.00 2.08 N ATOM 0 H GLN B 56 17.080 1.796 -4.824 1.00 1.34 H new ATOM 0 HA GLN B 56 19.590 0.835 -5.628 1.00 1.42 H new ATOM 0 HB2 GLN B 56 17.578 -0.574 -5.085 1.00 1.47 H new ATOM 0 HB3 GLN B 56 16.726 0.109 -6.456 1.00 1.47 H new ATOM 0 HG2 GLN B 56 17.734 -2.082 -7.064 1.00 1.65 H new ATOM 0 HG3 GLN B 56 18.449 -0.794 -8.013 1.00 1.65 H new ATOM 0 HE21 GLN B 56 18.989 -2.185 -4.673 1.00 2.08 H new ATOM 0 HE22 GLN B 56 20.735 -2.316 -4.910 1.00 2.08 H new ATOM 2196 N ILE B 57 17.853 2.499 -7.850 1.00 1.64 N ATOM 2197 CA ILE B 57 17.992 2.974 -9.170 1.00 1.81 C ATOM 2198 C ILE B 57 18.692 4.254 -9.161 1.00 1.89 C ATOM 2199 O ILE B 57 19.214 4.684 -10.212 1.00 2.07 O ATOM 2200 CB ILE B 57 16.622 3.089 -9.846 1.00 1.88 C ATOM 2201 CG1 ILE B 57 16.290 4.549 -10.169 1.00 2.08 C ATOM 2202 CG2 ILE B 57 15.562 2.532 -8.895 1.00 1.87 C ATOM 2203 CD1 ILE B 57 16.972 4.942 -11.481 1.00 2.66 C ATOM 0 H ILE B 57 17.052 2.865 -7.335 1.00 1.64 H new ATOM 0 HA ILE B 57 18.584 2.264 -9.748 1.00 1.81 H new ATOM 0 HB ILE B 57 16.639 2.526 -10.779 1.00 1.88 H new ATOM 0 HG12 ILE B 57 15.211 4.679 -10.253 1.00 2.08 H new ATOM 0 HG13 ILE B 57 16.627 5.198 -9.361 1.00 2.08 H new ATOM 0 HG21 ILE B 57 14.580 2.606 -9.361 1.00 1.87 H new ATOM 0 HG22 ILE B 57 15.782 1.487 -8.677 1.00 1.87 H new ATOM 0 HG23 ILE B 57 15.568 3.105 -7.968 1.00 1.87 H new ATOM 0 HD11 ILE B 57 16.739 5.981 -11.715 1.00 2.66 H new ATOM 0 HD12 ILE B 57 18.051 4.827 -11.379 1.00 2.66 H new ATOM 0 HD13 ILE B 57 16.613 4.299 -12.285 1.00 2.66 H new ATOM 2215 N GLY B 58 18.762 4.984 -8.038 1.00 1.79 N ATOM 2216 CA GLY B 58 19.398 6.242 -8.070 1.00 1.90 C ATOM 2217 C GLY B 58 18.507 7.255 -7.511 1.00 1.88 C ATOM 2218 O GLY B 58 18.809 8.463 -7.618 1.00 1.99 O ATOM 0 H GLY B 58 18.385 4.705 -7.132 1.00 1.79 H new ATOM 0 HA2 GLY B 58 20.327 6.206 -7.501 1.00 1.90 H new ATOM 0 HA3 GLY B 58 19.662 6.501 -9.095 1.00 1.90 H new ATOM 2222 N TRP B 59 17.382 6.865 -6.889 1.00 1.76 N ATOM 2223 CA TRP B 59 16.479 7.761 -6.271 1.00 1.74 C ATOM 2224 C TRP B 59 15.742 8.599 -7.213 1.00 1.83 C ATOM 2225 O TRP B 59 15.011 9.503 -6.756 1.00 1.90 O ATOM 2226 CB TRP B 59 17.211 8.668 -5.278 1.00 1.80 C ATOM 2227 CG TRP B 59 16.251 9.593 -4.685 1.00 2.05 C ATOM 2228 CD1 TRP B 59 15.288 9.305 -3.724 1.00 2.09 C ATOM 2229 CD2 TRP B 59 16.145 10.950 -4.943 1.00 2.50 C ATOM 2230 NE1 TRP B 59 14.624 10.435 -3.420 1.00 2.57 N ATOM 2231 CE2 TRP B 59 15.131 11.441 -4.148 1.00 2.86 C ATOM 2232 CE3 TRP B 59 16.861 11.765 -5.806 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 14.781 12.783 -4.179 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 16.518 13.115 -5.845 1.00 3.32 C ATOM 2235 CH2 TRP B 59 15.491 13.617 -5.041 1.00 3.70 C ATOM 0 H TRP B 59 17.098 5.888 -6.818 1.00 1.76 H new ATOM 0 HA TRP B 59 15.754 7.130 -5.757 1.00 1.74 H new ATOM 0 HB2 TRP B 59 17.687 8.070 -4.501 1.00 1.80 H new ATOM 0 HB3 TRP B 59 18.003 9.220 -5.785 1.00 1.80 H new ATOM 0 HD1 TRP B 59 15.103 8.333 -3.292 1.00 2.09 H new ATOM 0 HE1 TRP B 59 13.861 10.514 -2.747 1.00 2.57 H new ATOM 0 HE3 TRP B 59 17.653 11.369 -6.424 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 13.986 13.168 -3.557 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 17.053 13.782 -6.505 1.00 3.32 H new ATOM 0 HH2 TRP B 59 15.244 14.667 -5.088 1.00 3.70 H new ATOM 2246 N SER B 60 15.795 8.417 -8.539 1.00 1.88 N ATOM 2247 CA SER B 60 14.992 9.236 -9.356 1.00 1.98 C ATOM 2248 C SER B 60 13.677 8.613 -9.489 1.00 1.92 C ATOM 2249 O SER B 60 12.645 9.257 -9.200 1.00 1.97 O ATOM 2250 CB SER B 60 15.639 9.400 -10.732 1.00 2.09 C ATOM 2251 OG SER B 60 15.659 8.150 -11.403 1.00 2.16 O ATOM 0 H SER B 60 16.372 7.729 -9.023 1.00 1.88 H new ATOM 0 HA SER B 60 14.890 10.223 -8.906 1.00 1.98 H new ATOM 0 HB2 SER B 60 15.084 10.131 -11.321 1.00 2.09 H new ATOM 0 HB3 SER B 60 16.654 9.782 -10.624 1.00 2.09 H new ATOM 0 HG SER B 60 14.849 8.058 -11.947 1.00 2.16 H new ATOM 2257 N HIS B 61 13.583 7.344 -9.913 1.00 1.87 N ATOM 2258 CA HIS B 61 12.320 6.728 -10.039 1.00 1.91 C ATOM 2259 C HIS B 61 12.271 5.467 -9.301 1.00 1.97 C ATOM 2260 O HIS B 61 13.026 4.535 -9.651 1.00 2.60 O ATOM 2261 CB HIS B 61 12.037 6.416 -11.510 1.00 2.75 C ATOM 2262 CG HIS B 61 11.940 7.650 -12.283 1.00 3.15 C ATOM 2263 ND1 HIS B 61 12.951 8.460 -12.621 1.00 4.13 N ATOM 2264 CD2 HIS B 61 10.783 8.183 -12.834 1.00 3.11 C ATOM 2265 CE1 HIS B 61 12.455 9.474 -13.345 1.00 4.69 C ATOM 2266 NE2 HIS B 61 11.131 9.306 -13.477 1.00 4.06 N ATOM 0 H HIS B 61 14.378 6.756 -10.164 1.00 1.87 H new ATOM 0 HA HIS B 61 11.578 7.418 -9.637 1.00 1.91 H new ATOM 0 HB2 HIS B 61 12.831 5.788 -11.914 1.00 2.75 H new ATOM 0 HB3 HIS B 61 11.109 5.851 -11.596 1.00 2.75 H new ATOM 0 HD2 HIS B 61 9.788 7.770 -12.759 1.00 3.11 H new ATOM 0 HE1 HIS B 61 13.028 10.292 -13.755 1.00 4.69 H new ATOM 0 HE2 HIS B 61 10.497 9.927 -13.981 1.00 4.06 H new ATOM 2275 N PRO B 62 11.419 5.293 -8.279 1.00 1.93 N ATOM 2276 CA PRO B 62 11.269 4.054 -7.610 1.00 2.45 C ATOM 2277 C PRO B 62 11.017 2.986 -8.532 1.00 2.06 C ATOM 2278 O PRO B 62 10.290 3.165 -9.496 1.00 2.31 O ATOM 2279 CB PRO B 62 10.047 4.274 -6.717 1.00 3.15 C ATOM 2280 CG PRO B 62 10.062 5.781 -6.471 1.00 2.98 C ATOM 2281 CD PRO B 62 10.596 6.348 -7.788 1.00 2.10 C ATOM 0 HA PRO B 62 12.167 3.771 -7.060 1.00 2.45 H new ATOM 0 HB2 PRO B 62 9.127 3.955 -7.207 1.00 3.15 H new ATOM 0 HB3 PRO B 62 10.123 3.713 -5.785 1.00 3.15 H new ATOM 0 HG2 PRO B 62 9.066 6.161 -6.244 1.00 2.98 H new ATOM 0 HG3 PRO B 62 10.703 6.045 -5.630 1.00 2.98 H new ATOM 0 HD2 PRO B 62 9.790 6.587 -8.481 1.00 2.10 H new ATOM 0 HD3 PRO B 62 11.165 7.265 -7.632 1.00 2.10 H new ATOM 2289 N GLN B 63 11.546 1.806 -8.310 1.00 1.69 N ATOM 2290 CA GLN B 63 11.393 0.731 -9.219 1.00 1.51 C ATOM 2291 C GLN B 63 10.015 0.440 -9.623 1.00 1.56 C ATOM 2292 O GLN B 63 9.836 -0.226 -10.665 1.00 1.92 O ATOM 2293 CB GLN B 63 11.997 -0.543 -8.625 1.00 1.70 C ATOM 2294 CG GLN B 63 13.511 -0.377 -8.488 1.00 2.04 C ATOM 2295 CD GLN B 63 14.076 -1.565 -7.855 1.00 2.56 C ATOM 2296 OE1 GLN B 63 15.070 -2.132 -8.359 1.00 3.20 O ATOM 2297 NE2 GLN B 63 13.548 -2.030 -6.716 1.00 2.72 N ATOM 0 H GLN B 63 12.097 1.579 -7.482 1.00 1.69 H new ATOM 0 HA GLN B 63 11.915 1.056 -10.119 1.00 1.51 H new ATOM 0 HB2 GLN B 63 11.554 -0.748 -7.650 1.00 1.70 H new ATOM 0 HB3 GLN B 63 11.771 -1.397 -9.264 1.00 1.70 H new ATOM 0 HG2 GLN B 63 13.961 -0.226 -9.469 1.00 2.04 H new ATOM 0 HG3 GLN B 63 13.738 0.508 -7.893 1.00 2.04 H new ATOM 0 HE21 GLN B 63 12.737 -1.568 -6.304 1.00 2.72 H new ATOM 0 HE22 GLN B 63 13.957 -2.846 -6.260 1.00 2.72 H new ATOM 2306 N PHE B 64 8.938 0.811 -8.917 1.00 1.50 N ATOM 2307 CA PHE B 64 7.658 0.480 -9.412 1.00 1.63 C ATOM 2308 C PHE B 64 7.196 1.470 -10.382 1.00 1.91 C ATOM 2309 O PHE B 64 6.284 1.154 -11.177 1.00 2.60 O ATOM 2310 CB PHE B 64 6.660 0.347 -8.262 1.00 1.89 C ATOM 2311 CG PHE B 64 6.889 -0.921 -7.576 1.00 3.00 C ATOM 2312 CD1 PHE B 64 8.088 -1.156 -6.914 1.00 3.73 C ATOM 2313 CD2 PHE B 64 5.893 -1.890 -7.571 1.00 3.61 C ATOM 2314 CE1 PHE B 64 8.293 -2.362 -6.255 1.00 4.94 C ATOM 2315 CE2 PHE B 64 6.099 -3.096 -6.913 1.00 4.84 C ATOM 2316 CZ PHE B 64 7.299 -3.333 -6.254 1.00 5.47 C ATOM 0 H PHE B 64 8.955 1.322 -8.035 1.00 1.50 H new ATOM 0 HA PHE B 64 7.731 -0.480 -9.923 1.00 1.63 H new ATOM 0 HB2 PHE B 64 6.776 1.178 -7.566 1.00 1.89 H new ATOM 0 HB3 PHE B 64 5.640 0.390 -8.643 1.00 1.89 H new ATOM 0 HD1 PHE B 64 8.861 -0.401 -6.912 1.00 3.73 H new ATOM 0 HD2 PHE B 64 4.958 -1.705 -8.079 1.00 3.61 H new ATOM 0 HE1 PHE B 64 9.226 -2.545 -5.743 1.00 4.94 H new ATOM 0 HE2 PHE B 64 5.326 -3.850 -6.914 1.00 4.84 H new ATOM 0 HZ PHE B 64 7.459 -4.270 -5.742 1.00 5.47 H new ATOM 2326 N GLU B 65 7.709 2.708 -10.433 1.00 2.14 N ATOM 2327 CA GLU B 65 7.242 3.601 -11.421 1.00 2.99 C ATOM 2328 C GLU B 65 8.319 3.940 -12.348 1.00 3.60 C ATOM 2329 O GLU B 65 8.121 4.810 -13.224 1.00 4.49 O ATOM 2330 CB GLU B 65 6.704 4.881 -10.780 1.00 3.51 C ATOM 2331 CG GLU B 65 7.824 5.628 -10.058 1.00 3.70 C ATOM 2332 CD GLU B 65 7.280 6.867 -9.509 1.00 4.67 C ATOM 2333 OE1 GLU B 65 6.787 7.724 -10.273 1.00 5.13 O ATOM 2334 OE2 GLU B 65 7.299 7.070 -8.276 1.00 5.30 O ATOM 0 H GLU B 65 8.425 3.076 -9.807 1.00 2.14 H new ATOM 0 HA GLU B 65 6.436 3.110 -11.966 1.00 2.99 H new ATOM 0 HB2 GLU B 65 6.266 5.522 -11.545 1.00 3.51 H new ATOM 0 HB3 GLU B 65 5.909 4.636 -10.076 1.00 3.51 H new ATOM 0 HG2 GLU B 65 8.238 5.011 -9.261 1.00 3.70 H new ATOM 0 HG3 GLU B 65 8.639 5.846 -10.748 1.00 3.70 H new ATOM 2341 N LYS B 66 9.505 3.316 -12.289 1.00 3.37 N ATOM 2342 CA LYS B 66 10.508 3.645 -13.226 1.00 4.26 C ATOM 2343 C LYS B 66 10.089 3.233 -14.563 1.00 5.05 C ATOM 2344 O LYS B 66 9.830 2.033 -14.798 1.00 5.15 O ATOM 2345 CB LYS B 66 11.819 2.940 -12.868 1.00 4.08 C ATOM 2346 CG LYS B 66 11.651 1.430 -13.036 1.00 3.92 C ATOM 2347 CD LYS B 66 12.962 0.722 -12.689 1.00 4.31 C ATOM 2348 CE LYS B 66 12.753 -0.793 -12.744 1.00 4.82 C ATOM 2349 NZ LYS B 66 12.405 -1.189 -14.108 1.00 5.28 N ATOM 2350 OXT LYS B 66 9.992 4.080 -15.477 1.00 5.88 O ATOM 0 H LYS B 66 9.759 2.601 -11.607 1.00 3.37 H new ATOM 0 HA LYS B 66 10.664 4.724 -13.206 1.00 4.26 H new ATOM 0 HB2 LYS B 66 12.624 3.300 -13.509 1.00 4.08 H new ATOM 0 HB3 LYS B 66 12.100 3.173 -11.841 1.00 4.08 H new ATOM 0 HG2 LYS B 66 10.850 1.070 -12.390 1.00 3.92 H new ATOM 0 HG3 LYS B 66 11.362 1.199 -14.061 1.00 3.92 H new ATOM 0 HD2 LYS B 66 13.744 1.018 -13.389 1.00 4.31 H new ATOM 0 HD3 LYS B 66 13.296 1.018 -11.694 1.00 4.31 H new ATOM 0 HE2 LYS B 66 13.659 -1.307 -12.425 1.00 4.82 H new ATOM 0 HE3 LYS B 66 11.961 -1.087 -12.056 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 12.527 -2.216 -14.213 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 11.415 -0.937 -14.301 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 13.025 -0.696 -14.782 1.00 5.28 H new TER 2364 LYS B 66