USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0855 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 92:sc= -2.17 USER MOD Single : A 16 ASN : amide:sc= -2.93 K(o=-2.9,f=-7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= -2.81! (180deg=-2.92!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.784 F(o=-4.3!,f=-0.78) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= -2.8! (180deg=-8.11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 119:sc= 0.55 USER MOD Single : A 53 ASN : amide:sc= -5.54! C(o=-5.5!,f=-11!) USER MOD Single : A 54 TYR OH : rot -55:sc= -0.423 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.86 K(o=-0.86,f=-3!) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ -150:sc= -0.0957 (180deg=-0.497) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -170:sc= -0.946 (180deg=-1.23!) USER MOD Single : B -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -5 SER OG : rot 180:sc= 0 USER MOD Single : B -6 HIS : no HE2:sc= -5.14! C(o=-5.1!,f=-8.2!) USER MOD Single : B -8 LYS NZ :NH3+ 177:sc= -0.411 (180deg=-0.539) USER MOD Single : B -10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.289 -13.870 -4.409 1.00 0.00 N ATOM 2 CA ALA A 1 3.438 -13.553 -3.233 1.00 0.00 C ATOM 3 C ALA A 1 2.028 -13.152 -3.668 1.00 0.00 C ATOM 4 O ALA A 1 1.784 -12.900 -4.849 1.00 0.00 O ATOM 5 CB ALA A 1 4.076 -12.444 -2.401 1.00 0.00 C ATOM 0 H1 ALA A 1 4.536 -14.880 -4.396 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.769 -13.652 -5.283 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.158 -13.300 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 1 3.359 -14.450 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.442 -12.222 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.057 -12.768 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.186 -11.548 -3.012 1.00 0.00 H new ATOM 13 N PRO A 2 1.082 -13.086 -2.716 1.00 0.00 N ATOM 14 CA PRO A 2 -0.314 -12.711 -2.999 1.00 0.00 C ATOM 15 C PRO A 2 -0.423 -11.349 -3.669 1.00 0.00 C ATOM 16 O PRO A 2 0.539 -10.587 -3.717 1.00 0.00 O ATOM 17 CB PRO A 2 -0.971 -12.753 -1.605 1.00 0.00 C ATOM 18 CG PRO A 2 0.155 -12.629 -0.641 1.00 0.00 C ATOM 19 CD PRO A 2 1.295 -13.356 -1.281 1.00 0.00 C ATOM 0 HA PRO A 2 -0.802 -13.376 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.686 -11.940 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.518 -13.684 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.406 -11.584 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.101 -13.068 0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.259 -12.982 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.270 -14.423 -1.061 1.00 0.00 H new ATOM 24 N TRP A 3 -1.601 -11.058 -4.192 1.00 0.00 N ATOM 25 CA TRP A 3 -1.848 -9.808 -4.902 1.00 0.00 C ATOM 26 C TRP A 3 -3.160 -9.181 -4.459 1.00 0.00 C ATOM 27 O TRP A 3 -3.998 -9.824 -3.827 1.00 0.00 O ATOM 28 CB TRP A 3 -1.878 -10.085 -6.402 1.00 0.00 C ATOM 29 CG TRP A 3 -3.072 -10.862 -6.820 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.217 -12.214 -6.918 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.302 -10.293 -7.184 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.497 -12.512 -7.332 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.183 -11.333 -7.505 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.727 -8.985 -7.266 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.495 -11.083 -7.909 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.001 -8.732 -7.658 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.886 -9.768 -7.980 1.00 0.00 C ATOM 0 H TRP A 3 -2.411 -11.675 -4.139 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.047 -9.105 -4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.859 -9.138 -6.942 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.978 -10.631 -6.684 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.447 -12.940 -6.704 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.872 -13.448 -7.484 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.057 -8.174 -7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.173 -11.887 -8.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.340 -7.709 -7.723 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.893 -9.529 -8.289 1.00 0.00 H new ATOM 47 N ALA A 4 -3.318 -7.904 -4.808 1.00 0.00 N ATOM 48 CA ALA A 4 -4.524 -7.193 -4.430 1.00 0.00 C ATOM 49 C ALA A 4 -4.902 -6.066 -5.382 1.00 0.00 C ATOM 50 O ALA A 4 -4.095 -5.612 -6.192 1.00 0.00 O ATOM 51 CB ALA A 4 -4.370 -6.619 -3.029 1.00 0.00 C ATOM 0 H ALA A 4 -2.640 -7.357 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.327 -7.929 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.280 -6.086 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.194 -7.429 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.526 -5.930 -3.009 1.00 0.00 H new ATOM 57 N THR A 5 -6.142 -5.627 -5.264 1.00 0.00 N ATOM 58 CA THR A 5 -6.652 -4.516 -6.046 1.00 0.00 C ATOM 59 C THR A 5 -7.077 -3.468 -5.072 1.00 0.00 C ATOM 60 O THR A 5 -7.926 -3.730 -4.219 1.00 0.00 O ATOM 61 CB THR A 5 -7.876 -4.857 -6.917 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.676 -6.097 -7.599 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.142 -3.748 -7.934 1.00 0.00 C ATOM 0 H THR A 5 -6.824 -6.031 -4.623 1.00 0.00 H new ATOM 0 HA THR A 5 -5.860 -4.206 -6.727 1.00 0.00 H new ATOM 0 HB THR A 5 -8.741 -4.947 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.463 -6.300 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.011 -4.009 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.333 -2.812 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.272 -3.631 -8.580 1.00 0.00 H new ATOM 71 N ALA A 6 -6.524 -2.287 -5.161 1.00 0.00 N ATOM 72 CA ALA A 6 -6.890 -1.242 -4.235 1.00 0.00 C ATOM 73 C ALA A 6 -8.405 -1.036 -4.195 1.00 0.00 C ATOM 74 O ALA A 6 -9.149 -1.533 -5.035 1.00 0.00 O ATOM 75 CB ALA A 6 -6.160 0.041 -4.592 1.00 0.00 C ATOM 0 H ALA A 6 -5.826 -2.024 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.588 -1.543 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.440 0.826 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.084 -0.126 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.431 0.345 -5.603 1.00 0.00 H new ATOM 81 N GLU A 7 -8.829 -0.325 -3.174 1.00 0.00 N ATOM 82 CA GLU A 7 -10.254 -0.027 -2.980 1.00 0.00 C ATOM 83 C GLU A 7 -10.516 1.471 -2.839 1.00 0.00 C ATOM 84 O GLU A 7 -11.657 1.923 -2.930 1.00 0.00 O ATOM 85 CB GLU A 7 -10.778 -0.723 -1.727 1.00 0.00 C ATOM 86 CG GLU A 7 -10.779 -2.235 -1.837 1.00 0.00 C ATOM 87 CD GLU A 7 -12.000 -2.765 -2.562 1.00 0.00 C ATOM 88 OE1 GLU A 7 -13.128 -2.384 -2.183 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.829 -3.560 -3.510 1.00 0.00 O ATOM 0 H GLU A 7 -8.216 0.064 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.771 -0.393 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.167 -0.428 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.793 -0.380 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.880 -2.558 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.737 -2.668 -0.838 1.00 0.00 H new ATOM 94 N TYR A 8 -9.456 2.229 -2.616 1.00 0.00 N ATOM 95 CA TYR A 8 -9.539 3.661 -2.421 1.00 0.00 C ATOM 96 C TYR A 8 -8.252 4.274 -2.887 1.00 0.00 C ATOM 97 O TYR A 8 -7.186 3.681 -2.724 1.00 0.00 O ATOM 98 CB TYR A 8 -9.723 3.913 -0.941 1.00 0.00 C ATOM 99 CG TYR A 8 -10.868 3.128 -0.387 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.691 1.829 0.048 1.00 0.00 C ATOM 101 CD2 TYR A 8 -12.132 3.682 -0.326 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.746 1.099 0.536 1.00 0.00 C ATOM 103 CE2 TYR A 8 -13.195 2.964 0.162 1.00 0.00 C ATOM 104 CZ TYR A 8 -13.002 1.668 0.594 1.00 0.00 C ATOM 105 OH TYR A 8 -14.064 0.942 1.083 1.00 0.00 O ATOM 0 H TYR A 8 -8.506 1.861 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.369 4.094 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.809 3.648 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.894 4.976 -0.771 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.709 1.382 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.286 4.695 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.594 0.084 0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.177 3.411 0.208 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.876 1.491 1.056 1.00 0.00 H new ATOM 114 N ASP A 9 -8.326 5.446 -3.467 1.00 0.00 N ATOM 115 CA ASP A 9 -7.166 6.141 -3.970 1.00 0.00 C ATOM 116 C ASP A 9 -6.193 6.383 -2.831 1.00 0.00 C ATOM 117 O ASP A 9 -6.196 7.442 -2.216 1.00 0.00 O ATOM 118 CB ASP A 9 -7.625 7.460 -4.573 1.00 0.00 C ATOM 119 CG ASP A 9 -8.481 7.271 -5.809 1.00 0.00 C ATOM 120 OD1 ASP A 9 -9.140 6.216 -5.920 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.492 8.179 -6.668 1.00 0.00 O ATOM 0 H ASP A 9 -9.202 5.950 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.661 5.549 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.190 8.019 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.752 8.061 -4.829 1.00 0.00 H new ATOM 125 N TYR A 10 -5.343 5.398 -2.558 1.00 0.00 N ATOM 126 CA TYR A 10 -4.396 5.518 -1.461 1.00 0.00 C ATOM 127 C TYR A 10 -3.220 6.371 -1.878 1.00 0.00 C ATOM 128 O TYR A 10 -2.519 6.056 -2.838 1.00 0.00 O ATOM 129 CB TYR A 10 -3.938 4.147 -0.988 1.00 0.00 C ATOM 130 CG TYR A 10 -2.894 4.193 0.097 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.073 4.976 1.229 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.732 3.447 -0.011 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.116 5.011 2.223 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.774 3.477 0.978 1.00 0.00 C ATOM 135 CZ TYR A 10 -0.970 4.257 2.091 1.00 0.00 C ATOM 136 OH TYR A 10 -0.015 4.287 3.071 1.00 0.00 O ATOM 0 H TYR A 10 -5.292 4.520 -3.075 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.894 6.007 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.802 3.592 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.540 3.594 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.972 5.565 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.575 2.832 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.264 5.625 3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.127 2.890 0.879 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.183 3.567 3.714 1.00 0.00 H new ATOM 145 N ASP A 11 -3.010 7.457 -1.155 1.00 0.00 N ATOM 146 CA ASP A 11 -1.918 8.341 -1.498 1.00 0.00 C ATOM 147 C ASP A 11 -0.836 8.403 -0.411 1.00 0.00 C ATOM 148 O ASP A 11 -0.595 9.466 0.163 1.00 0.00 O ATOM 149 CB ASP A 11 -2.521 9.720 -1.732 1.00 0.00 C ATOM 150 CG ASP A 11 -1.655 10.600 -2.610 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.925 10.051 -3.463 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.704 11.837 -2.446 1.00 0.00 O ATOM 0 H ASP A 11 -3.566 7.740 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.416 7.964 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.502 9.609 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.674 10.212 -0.771 1.00 0.00 H new ATOM 156 N ALA A 12 -0.191 7.253 -0.154 1.00 0.00 N ATOM 157 CA ALA A 12 0.919 7.110 0.807 1.00 0.00 C ATOM 158 C ALA A 12 1.050 8.270 1.797 1.00 0.00 C ATOM 159 O ALA A 12 1.487 9.359 1.425 1.00 0.00 O ATOM 160 CB ALA A 12 2.205 6.926 0.012 1.00 0.00 C ATOM 0 H ALA A 12 -0.431 6.377 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 12 0.709 6.241 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.045 6.817 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.125 6.033 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.367 7.796 -0.625 1.00 0.00 H new ATOM 166 N ALA A 13 0.672 8.042 3.058 1.00 0.00 N ATOM 167 CA ALA A 13 0.720 9.047 4.127 1.00 0.00 C ATOM 168 C ALA A 13 2.110 9.222 4.826 1.00 0.00 C ATOM 169 O ALA A 13 2.384 10.306 5.342 1.00 0.00 O ATOM 170 CB ALA A 13 -0.300 8.656 5.167 1.00 0.00 C ATOM 0 H ALA A 13 0.318 7.138 3.371 1.00 0.00 H new ATOM 0 HA ALA A 13 0.513 10.008 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.290 9.384 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.291 8.631 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.057 7.670 5.562 1.00 0.00 H new ATOM 176 N GLU A 14 2.979 8.204 4.855 1.00 0.00 N ATOM 177 CA GLU A 14 4.282 8.297 5.575 1.00 0.00 C ATOM 178 C GLU A 14 5.591 8.336 4.744 1.00 0.00 C ATOM 179 O GLU A 14 6.598 8.801 5.273 1.00 0.00 O ATOM 180 CB GLU A 14 4.439 7.086 6.499 1.00 0.00 C ATOM 181 CG GLU A 14 3.751 7.251 7.843 1.00 0.00 C ATOM 182 CD GLU A 14 4.441 8.269 8.729 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.448 8.860 8.283 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.976 8.476 9.869 1.00 0.00 O ATOM 0 H GLU A 14 2.817 7.308 4.396 1.00 0.00 H new ATOM 0 HA GLU A 14 4.196 9.268 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.036 6.205 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.500 6.901 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.717 7.556 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.724 6.289 8.354 1.00 0.00 H new ATOM 189 N ASP A 15 5.578 7.856 3.497 1.00 0.00 N ATOM 190 CA ASP A 15 6.760 7.832 2.582 1.00 0.00 C ATOM 191 C ASP A 15 7.075 6.402 2.145 1.00 0.00 C ATOM 192 O ASP A 15 6.885 6.081 0.970 1.00 0.00 O ATOM 193 CB ASP A 15 8.011 8.530 3.133 1.00 0.00 C ATOM 194 CG ASP A 15 7.826 10.030 3.271 1.00 0.00 C ATOM 195 OD1 ASP A 15 7.299 10.654 2.325 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.207 10.580 4.325 1.00 0.00 O ATOM 0 H ASP A 15 4.738 7.462 3.072 1.00 0.00 H new ATOM 0 HA ASP A 15 6.468 8.422 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.260 8.107 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.855 8.330 2.473 1.00 0.00 H new ATOM 200 N ASN A 16 7.550 5.521 3.050 1.00 0.00 N ATOM 201 CA ASN A 16 7.839 4.175 2.543 1.00 0.00 C ATOM 202 C ASN A 16 6.610 3.294 2.715 1.00 0.00 C ATOM 203 O ASN A 16 6.632 2.269 3.399 1.00 0.00 O ATOM 204 CB ASN A 16 8.897 3.662 3.537 1.00 0.00 C ATOM 205 CG ASN A 16 8.397 3.449 4.950 1.00 0.00 C ATOM 206 OD1 ASN A 16 7.437 4.078 5.392 1.00 0.00 O ATOM 207 ND2 ASN A 16 9.060 2.548 5.659 1.00 0.00 N ATOM 0 H ASN A 16 7.727 5.694 4.040 1.00 0.00 H new ATOM 0 HA ASN A 16 8.140 4.170 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.298 2.720 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.724 4.372 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.780 2.348 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.850 2.054 5.245 1.00 0.00 H new ATOM 213 N GLU A 17 5.555 3.692 2.065 1.00 0.00 N ATOM 214 CA GLU A 17 4.376 2.909 1.862 1.00 0.00 C ATOM 215 C GLU A 17 4.245 2.684 0.371 1.00 0.00 C ATOM 216 O GLU A 17 5.039 3.218 -0.402 1.00 0.00 O ATOM 217 CB GLU A 17 3.154 3.602 2.391 1.00 0.00 C ATOM 218 CG GLU A 17 2.901 4.889 1.733 1.00 0.00 C ATOM 219 CD GLU A 17 2.658 5.968 2.748 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.775 5.788 3.609 1.00 0.00 O ATOM 221 OE2 GLU A 17 3.354 6.996 2.701 1.00 0.00 O ATOM 0 H GLU A 17 5.493 4.618 1.642 1.00 0.00 H new ATOM 0 HA GLU A 17 4.459 1.965 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.288 2.954 2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.269 3.763 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.753 5.157 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.037 4.802 1.074 1.00 0.00 H new ATOM 226 N LEU A 18 3.276 1.916 -0.052 1.00 0.00 N ATOM 227 CA LEU A 18 3.006 1.802 -1.467 1.00 0.00 C ATOM 228 C LEU A 18 1.909 2.828 -1.730 1.00 0.00 C ATOM 229 O LEU A 18 1.374 3.411 -0.790 1.00 0.00 O ATOM 230 CB LEU A 18 2.571 0.388 -1.847 1.00 0.00 C ATOM 231 CG LEU A 18 3.366 -0.225 -2.992 1.00 0.00 C ATOM 232 CD1 LEU A 18 2.879 -1.617 -3.295 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.248 0.636 -4.223 1.00 0.00 C ATOM 0 H LEU A 18 2.665 1.365 0.551 1.00 0.00 H new ATOM 0 HA LEU A 18 3.893 1.991 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.662 -0.255 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.516 0.406 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 18 4.412 -0.281 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.461 -2.035 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.996 -2.244 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.827 -1.581 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.820 0.189 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.201 0.712 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.638 1.631 -4.010 1.00 0.00 H new ATOM 244 N THR A 19 1.577 3.075 -2.986 1.00 0.00 N ATOM 245 CA THR A 19 0.581 4.063 -3.329 1.00 0.00 C ATOM 246 C THR A 19 -0.238 3.529 -4.467 1.00 0.00 C ATOM 247 O THR A 19 0.307 3.125 -5.493 1.00 0.00 O ATOM 248 CB THR A 19 1.229 5.392 -3.743 1.00 0.00 C ATOM 249 OG1 THR A 19 2.650 5.324 -3.571 1.00 0.00 O ATOM 250 CG2 THR A 19 0.668 6.516 -2.908 1.00 0.00 C ATOM 0 H THR A 19 1.989 2.598 -3.788 1.00 0.00 H new ATOM 0 HA THR A 19 -0.043 4.256 -2.457 1.00 0.00 H new ATOM 0 HB THR A 19 1.009 5.579 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.053 6.176 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.131 7.457 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.410 6.578 -3.059 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.877 6.326 -1.855 1.00 0.00 H new ATOM 258 N PHE A 20 -1.538 3.520 -4.307 1.00 0.00 N ATOM 259 CA PHE A 20 -2.369 2.933 -5.320 1.00 0.00 C ATOM 260 C PHE A 20 -3.743 3.534 -5.354 1.00 0.00 C ATOM 261 O PHE A 20 -4.144 4.327 -4.503 1.00 0.00 O ATOM 262 CB PHE A 20 -2.449 1.420 -5.103 1.00 0.00 C ATOM 263 CG PHE A 20 -2.393 1.064 -3.647 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.441 1.403 -2.814 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.276 0.451 -3.106 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.377 1.141 -1.463 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.213 0.175 -1.754 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.267 0.525 -0.932 1.00 0.00 C ATOM 0 H PHE A 20 -2.033 3.904 -3.502 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.912 3.143 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.374 1.039 -5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.627 0.933 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.319 1.878 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.447 0.186 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.199 1.419 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.343 -0.313 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.220 0.315 0.126 1.00 0.00 H new ATOM 277 N VAL A 21 -4.434 3.124 -6.369 1.00 0.00 N ATOM 278 CA VAL A 21 -5.780 3.539 -6.608 1.00 0.00 C ATOM 279 C VAL A 21 -6.663 2.300 -6.691 1.00 0.00 C ATOM 280 O VAL A 21 -6.181 1.223 -7.019 1.00 0.00 O ATOM 281 CB VAL A 21 -5.807 4.437 -7.859 1.00 0.00 C ATOM 282 CG1 VAL A 21 -6.567 3.837 -9.016 1.00 0.00 C ATOM 283 CG2 VAL A 21 -6.323 5.809 -7.488 1.00 0.00 C ATOM 0 H VAL A 21 -4.071 2.478 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.181 4.144 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.782 4.528 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.544 4.524 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.106 2.892 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.601 3.661 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.341 6.443 -8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.331 5.721 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.669 6.253 -6.738 1.00 0.00 H new ATOM 293 N GLU A 22 -7.943 2.437 -6.374 1.00 0.00 N ATOM 294 CA GLU A 22 -8.908 1.331 -6.322 1.00 0.00 C ATOM 295 C GLU A 22 -8.798 0.326 -7.460 1.00 0.00 C ATOM 296 O GLU A 22 -9.100 -0.857 -7.320 1.00 0.00 O ATOM 297 CB GLU A 22 -10.335 1.916 -6.242 1.00 0.00 C ATOM 298 CG GLU A 22 -11.423 1.117 -6.949 1.00 0.00 C ATOM 299 CD GLU A 22 -12.786 1.772 -6.855 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.848 2.965 -6.486 1.00 0.00 O ATOM 301 OE2 GLU A 22 -13.792 1.094 -7.151 1.00 0.00 O ATOM 0 H GLU A 22 -8.356 3.340 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.670 0.754 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.608 2.014 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.319 2.922 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.155 0.996 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.474 0.118 -6.515 1.00 0.00 H new ATOM 306 N ASN A 23 -8.385 0.826 -8.555 1.00 0.00 N ATOM 307 CA ASN A 23 -8.282 -0.028 -9.737 1.00 0.00 C ATOM 308 C ASN A 23 -6.836 -0.363 -10.076 1.00 0.00 C ATOM 309 O ASN A 23 -6.562 -1.006 -11.090 1.00 0.00 O ATOM 310 CB ASN A 23 -8.985 0.595 -10.936 1.00 0.00 C ATOM 311 CG ASN A 23 -10.099 1.556 -10.561 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.187 1.138 -10.165 1.00 0.00 O ATOM 313 ND2 ASN A 23 -9.836 2.850 -10.689 1.00 0.00 N ATOM 0 H ASN A 23 -8.110 1.799 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.787 -0.963 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.250 1.124 -11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.397 -0.200 -11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.549 3.541 -10.456 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.921 3.154 -11.021 1.00 0.00 H new ATOM 319 N ASP A 24 -5.914 0.071 -9.231 1.00 0.00 N ATOM 320 CA ASP A 24 -4.511 -0.225 -9.430 1.00 0.00 C ATOM 321 C ASP A 24 -4.210 -1.606 -8.882 1.00 0.00 C ATOM 322 O ASP A 24 -4.568 -1.934 -7.751 1.00 0.00 O ATOM 323 CB ASP A 24 -3.649 0.808 -8.730 1.00 0.00 C ATOM 324 CG ASP A 24 -3.787 2.187 -9.346 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.487 2.311 -10.373 1.00 0.00 O ATOM 326 OD2 ASP A 24 -3.191 3.142 -8.804 1.00 0.00 O ATOM 0 H ASP A 24 -6.116 0.629 -8.402 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.286 -0.197 -10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.925 0.854 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.605 0.496 -8.773 1.00 0.00 H new ATOM 330 N LYS A 25 -3.553 -2.409 -9.693 1.00 0.00 N ATOM 331 CA LYS A 25 -3.224 -3.757 -9.318 1.00 0.00 C ATOM 332 C LYS A 25 -1.984 -3.779 -8.418 1.00 0.00 C ATOM 333 O LYS A 25 -1.032 -3.035 -8.645 1.00 0.00 O ATOM 334 CB LYS A 25 -2.993 -4.559 -10.597 1.00 0.00 C ATOM 335 CG LYS A 25 -2.360 -5.902 -10.375 1.00 0.00 C ATOM 336 CD LYS A 25 -3.392 -7.002 -10.228 1.00 0.00 C ATOM 337 CE LYS A 25 -2.775 -8.211 -9.569 1.00 0.00 C ATOM 338 NZ LYS A 25 -1.725 -8.836 -10.420 1.00 0.00 N ATOM 0 H LYS A 25 -3.236 -2.142 -10.625 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.040 -4.201 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.949 -4.699 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.360 -3.978 -11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.700 -6.134 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.739 -5.866 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.233 -6.645 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.786 -7.274 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.341 -7.920 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.553 -8.944 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.281 -9.621 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.157 -9.198 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.003 -8.126 -10.659 1.00 0.00 H new ATOM 348 N ILE A 26 -1.996 -4.644 -7.402 1.00 0.00 N ATOM 349 CA ILE A 26 -0.859 -4.783 -6.495 1.00 0.00 C ATOM 350 C ILE A 26 -0.474 -6.261 -6.404 1.00 0.00 C ATOM 351 O ILE A 26 -1.344 -7.126 -6.436 1.00 0.00 O ATOM 352 CB ILE A 26 -1.200 -4.262 -5.084 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.670 -2.809 -5.156 1.00 0.00 C ATOM 354 CG2 ILE A 26 0.006 -4.379 -4.165 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.535 -2.394 -3.987 1.00 0.00 C ATOM 0 H ILE A 26 -2.782 -5.258 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.031 -4.193 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.006 -4.873 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.799 -2.156 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.228 -2.662 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.254 -4.007 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.308 -5.424 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.830 -3.791 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.831 -1.352 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.425 -3.022 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.973 -2.508 -3.060 1.00 0.00 H new ATOM 366 N ILE A 27 0.814 -6.550 -6.285 1.00 0.00 N ATOM 367 CA ILE A 27 1.267 -7.936 -6.225 1.00 0.00 C ATOM 368 C ILE A 27 2.443 -8.099 -5.283 1.00 0.00 C ATOM 369 O ILE A 27 2.987 -7.125 -4.768 1.00 0.00 O ATOM 370 CB ILE A 27 1.573 -8.459 -7.650 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.730 -7.702 -8.301 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.333 -8.387 -8.523 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.437 -8.497 -9.376 1.00 0.00 C ATOM 0 H ILE A 27 1.558 -5.854 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 27 0.464 -8.547 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 27 1.878 -9.501 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.351 -6.776 -8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.451 -7.423 -7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.568 -8.759 -9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.456 -8.998 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.004 -7.353 -8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.247 -7.901 -9.796 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.845 -9.411 -8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.729 -8.753 -10.164 1.00 0.00 H new ATOM 384 N ASN A 28 2.825 -9.347 -5.063 1.00 0.00 N ATOM 385 CA ASN A 28 3.894 -9.673 -4.148 1.00 0.00 C ATOM 386 C ASN A 28 3.567 -9.140 -2.760 1.00 0.00 C ATOM 387 O ASN A 28 4.406 -8.539 -2.089 1.00 0.00 O ATOM 388 CB ASN A 28 5.243 -9.131 -4.621 1.00 0.00 C ATOM 389 CG ASN A 28 5.724 -9.783 -5.901 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.975 -9.589 -6.974 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.757 -10.452 -5.922 1.00 0.00 N flip ATOM 0 H ASN A 28 2.401 -10.157 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 28 3.979 -10.759 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.163 -8.055 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.986 -9.286 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.303 -10.574 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.067 -10.884 -6.792 1.00 0.00 H new ATOM 397 N ILE A 29 2.319 -9.377 -2.347 1.00 0.00 N ATOM 398 CA ILE A 29 1.819 -8.866 -1.079 1.00 0.00 C ATOM 399 C ILE A 29 2.393 -9.604 0.113 1.00 0.00 C ATOM 400 O ILE A 29 1.655 -10.280 0.831 1.00 0.00 O ATOM 401 CB ILE A 29 0.283 -8.885 -1.038 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.241 -7.964 -2.137 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.223 -8.456 0.342 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.715 -7.695 -2.050 1.00 0.00 C ATOM 0 H ILE A 29 1.639 -9.921 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 29 2.156 -7.832 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.085 -9.896 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.295 -7.016 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.019 -8.408 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.313 -8.475 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.159 -9.141 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.124 -7.446 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.013 -7.034 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.262 -8.635 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.943 -7.221 -1.095 1.00 0.00 H new ATOM 415 N GLU A 30 3.684 -9.506 0.340 1.00 0.00 N ATOM 416 CA GLU A 30 4.230 -10.166 1.510 1.00 0.00 C ATOM 417 C GLU A 30 3.612 -9.616 2.774 1.00 0.00 C ATOM 418 O GLU A 30 2.986 -8.568 2.739 1.00 0.00 O ATOM 419 CB GLU A 30 5.758 -10.111 1.528 1.00 0.00 C ATOM 420 CG GLU A 30 6.389 -10.539 0.214 1.00 0.00 C ATOM 421 CD GLU A 30 7.493 -11.562 0.402 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.471 -11.258 1.116 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.378 -12.669 -0.167 1.00 0.00 O ATOM 0 H GLU A 30 4.353 -9.000 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 30 3.966 -11.222 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.076 -9.095 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.129 -10.753 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.619 -10.956 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.793 -9.663 -0.293 1.00 0.00 H new ATOM 428 N PHE A 31 3.821 -10.286 3.895 1.00 0.00 N ATOM 429 CA PHE A 31 3.214 -9.808 5.130 1.00 0.00 C ATOM 430 C PHE A 31 4.245 -9.310 6.124 1.00 0.00 C ATOM 431 O PHE A 31 4.452 -9.895 7.187 1.00 0.00 O ATOM 432 CB PHE A 31 2.330 -10.897 5.742 1.00 0.00 C ATOM 433 CG PHE A 31 1.212 -11.335 4.826 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.167 -10.473 4.505 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.212 -12.607 4.276 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.849 -10.875 3.657 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.198 -13.014 3.429 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.833 -12.148 3.120 1.00 0.00 C ATOM 0 H PHE A 31 4.385 -11.132 3.979 1.00 0.00 H new ATOM 0 HA PHE A 31 2.589 -8.951 4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.947 -11.760 5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.904 -10.529 6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.149 -9.478 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.015 -13.290 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.653 -10.196 3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.212 -14.009 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.626 -12.466 2.459 1.00 0.00 H new ATOM 447 N VAL A 32 4.889 -8.216 5.752 1.00 0.00 N ATOM 448 CA VAL A 32 5.878 -7.573 6.593 1.00 0.00 C ATOM 449 C VAL A 32 5.237 -7.194 7.929 1.00 0.00 C ATOM 450 O VAL A 32 5.884 -7.288 8.972 1.00 0.00 O ATOM 451 CB VAL A 32 6.408 -6.306 5.880 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.227 -6.694 4.662 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.249 -5.405 5.485 1.00 0.00 C ATOM 0 H VAL A 32 4.739 -7.750 4.857 1.00 0.00 H new ATOM 0 HA VAL A 32 6.709 -8.254 6.777 1.00 0.00 H new ATOM 0 HB VAL A 32 7.053 -5.757 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.594 -5.794 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.072 -7.308 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.603 -7.259 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.633 -4.516 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.584 -5.943 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.698 -5.109 6.378 1.00 0.00 H new ATOM 463 N ASP A 33 3.979 -6.769 7.909 1.00 0.00 N ATOM 464 CA ASP A 33 3.262 -6.453 9.142 1.00 0.00 C ATOM 465 C ASP A 33 1.837 -7.005 9.075 1.00 0.00 C ATOM 466 O ASP A 33 1.364 -7.370 8.005 1.00 0.00 O ATOM 467 CB ASP A 33 3.287 -4.955 9.421 1.00 0.00 C ATOM 468 CG ASP A 33 4.251 -4.627 10.543 1.00 0.00 C ATOM 469 OD1 ASP A 33 5.461 -4.513 10.270 1.00 0.00 O ATOM 470 OD2 ASP A 33 3.797 -4.514 11.701 1.00 0.00 O ATOM 0 H ASP A 33 3.435 -6.635 7.057 1.00 0.00 H new ATOM 0 HA ASP A 33 3.766 -6.935 9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.578 -4.418 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.286 -4.614 9.686 1.00 0.00 H new ATOM 474 N ASP A 34 1.158 -7.079 10.220 1.00 0.00 N ATOM 475 CA ASP A 34 -0.221 -7.570 10.255 1.00 0.00 C ATOM 476 C ASP A 34 -1.137 -6.615 9.491 1.00 0.00 C ATOM 477 O ASP A 34 -1.931 -7.025 8.644 1.00 0.00 O ATOM 478 CB ASP A 34 -0.702 -7.713 11.700 1.00 0.00 C ATOM 479 CG ASP A 34 -2.026 -8.447 11.798 1.00 0.00 C ATOM 480 OD1 ASP A 34 -2.786 -8.436 10.807 1.00 0.00 O ATOM 481 OD2 ASP A 34 -2.300 -9.035 12.865 1.00 0.00 O ATOM 0 H ASP A 34 1.535 -6.808 11.128 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.253 -8.550 9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.051 -8.248 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.804 -6.724 12.146 1.00 0.00 H new ATOM 485 N ASP A 35 -1.002 -5.336 9.816 1.00 0.00 N ATOM 486 CA ASP A 35 -1.860 -4.295 9.258 1.00 0.00 C ATOM 487 C ASP A 35 -1.386 -3.719 7.933 1.00 0.00 C ATOM 488 O ASP A 35 -2.200 -3.420 7.060 1.00 0.00 O ATOM 489 CB ASP A 35 -2.003 -3.149 10.262 1.00 0.00 C ATOM 490 CG ASP A 35 -3.051 -3.431 11.318 1.00 0.00 C ATOM 491 OD1 ASP A 35 -4.005 -4.182 11.023 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.920 -2.902 12.442 1.00 0.00 O ATOM 0 H ASP A 35 -0.299 -4.991 10.470 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.813 -4.785 9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.042 -2.972 10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.265 -2.234 9.730 1.00 0.00 H new ATOM 496 N TRP A 36 -0.081 -3.559 7.772 1.00 0.00 N ATOM 497 CA TRP A 36 0.443 -3.111 6.490 1.00 0.00 C ATOM 498 C TRP A 36 1.300 -4.210 5.889 1.00 0.00 C ATOM 499 O TRP A 36 2.264 -4.646 6.517 1.00 0.00 O ATOM 500 CB TRP A 36 1.281 -1.844 6.632 1.00 0.00 C ATOM 501 CG TRP A 36 0.485 -0.634 6.952 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.410 -0.536 7.953 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.498 0.637 6.285 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.952 0.722 7.991 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.417 1.460 6.971 1.00 0.00 C ATOM 506 CE3 TRP A 36 1.192 1.164 5.182 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.660 2.776 6.604 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.939 2.487 4.814 1.00 0.00 C ATOM 509 CH2 TRP A 36 0.020 3.271 5.529 1.00 0.00 C ATOM 0 H TRP A 36 0.620 -3.728 8.493 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.403 -2.885 5.841 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.024 -1.997 7.415 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.826 -1.674 5.704 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.665 -1.337 8.631 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.640 1.053 8.667 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.902 0.562 4.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.363 3.388 7.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.457 2.913 3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.153 4.291 5.221 1.00 0.00 H new ATOM 519 N TRP A 37 0.976 -4.671 4.688 1.00 0.00 N ATOM 520 CA TRP A 37 1.722 -5.704 3.992 1.00 0.00 C ATOM 521 C TRP A 37 2.583 -5.013 2.964 1.00 0.00 C ATOM 522 O TRP A 37 2.411 -3.821 2.717 1.00 0.00 O ATOM 523 CB TRP A 37 0.737 -6.697 3.360 1.00 0.00 C ATOM 524 CG TRP A 37 -0.488 -6.945 4.180 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.529 -7.235 5.508 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.844 -6.935 3.727 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.825 -7.415 5.913 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.653 -7.234 4.837 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.456 -6.702 2.492 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.036 -7.312 4.750 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.833 -6.775 2.406 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.611 -7.079 3.530 1.00 0.00 C ATOM 0 H TRP A 37 0.171 -4.329 4.163 1.00 0.00 H new ATOM 0 HA TRP A 37 2.362 -6.276 4.664 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.437 -6.322 2.382 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.249 -7.645 3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.336 -7.312 6.151 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.124 -7.646 6.860 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.863 -6.469 1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.638 -7.548 5.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.317 -6.595 1.457 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.685 -7.131 3.432 1.00 0.00 H new ATOM 542 N LEU A 38 3.515 -5.730 2.361 1.00 0.00 N ATOM 543 CA LEU A 38 4.390 -5.127 1.387 1.00 0.00 C ATOM 544 C LEU A 38 3.993 -5.539 -0.008 1.00 0.00 C ATOM 545 O LEU A 38 3.476 -6.621 -0.213 1.00 0.00 O ATOM 546 CB LEU A 38 5.846 -5.521 1.694 1.00 0.00 C ATOM 547 CG LEU A 38 6.439 -6.639 0.816 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.791 -6.083 -0.554 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.667 -7.253 1.472 1.00 0.00 C ATOM 0 H LEU A 38 3.680 -6.722 2.531 1.00 0.00 H new ATOM 0 HA LEU A 38 4.303 -4.042 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.472 -4.634 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.905 -5.834 2.736 1.00 0.00 H new ATOM 0 HG LEU A 38 5.692 -7.425 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.210 -6.877 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.892 -5.690 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.523 -5.283 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.066 -8.040 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.425 -6.483 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.390 -7.676 2.438 1.00 0.00 H new ATOM 560 N GLY A 39 4.287 -4.676 -0.958 1.00 0.00 N ATOM 561 CA GLY A 39 3.880 -5.008 -2.303 1.00 0.00 C ATOM 562 C GLY A 39 4.912 -4.893 -3.398 1.00 0.00 C ATOM 563 O GLY A 39 6.110 -4.713 -3.183 1.00 0.00 O ATOM 0 H GLY A 39 4.777 -3.790 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.510 -6.033 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.039 -4.367 -2.567 1.00 0.00 H new ATOM 567 N GLU A 40 4.351 -5.011 -4.590 1.00 0.00 N ATOM 568 CA GLU A 40 5.026 -4.913 -5.863 1.00 0.00 C ATOM 569 C GLU A 40 3.891 -4.691 -6.849 1.00 0.00 C ATOM 570 O GLU A 40 2.981 -5.501 -6.892 1.00 0.00 O ATOM 571 CB GLU A 40 5.820 -6.177 -6.190 1.00 0.00 C ATOM 572 CG GLU A 40 6.970 -5.916 -7.141 1.00 0.00 C ATOM 573 CD GLU A 40 8.207 -6.722 -6.798 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.093 -7.958 -6.663 1.00 0.00 O ATOM 575 OE2 GLU A 40 9.292 -6.116 -6.665 1.00 0.00 O ATOM 0 H GLU A 40 3.352 -5.188 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 40 5.767 -4.114 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.208 -6.606 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.152 -6.917 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.657 -6.154 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.217 -4.854 -7.124 1.00 0.00 H new ATOM 580 N LEU A 41 3.869 -3.608 -7.589 1.00 0.00 N ATOM 581 CA LEU A 41 2.749 -3.407 -8.489 1.00 0.00 C ATOM 582 C LEU A 41 2.942 -4.122 -9.809 1.00 0.00 C ATOM 583 O LEU A 41 3.948 -3.963 -10.474 1.00 0.00 O ATOM 584 CB LEU A 41 2.442 -1.931 -8.704 1.00 0.00 C ATOM 585 CG LEU A 41 2.238 -1.102 -7.433 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.051 0.368 -7.779 1.00 0.00 C ATOM 587 CD2 LEU A 41 1.035 -1.617 -6.657 1.00 0.00 C ATOM 0 H LEU A 41 4.580 -2.877 -7.592 1.00 0.00 H new ATOM 0 HA LEU A 41 1.882 -3.852 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.257 -1.489 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.543 -1.851 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 41 3.127 -1.200 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.907 0.942 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.935 0.734 -8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.177 0.483 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.901 -1.019 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.142 -1.543 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.199 -2.659 -6.381 1.00 0.00 H new ATOM 598 N GLU A 42 1.995 -4.972 -10.149 1.00 0.00 N ATOM 599 CA GLU A 42 2.061 -5.704 -11.397 1.00 0.00 C ATOM 600 C GLU A 42 2.083 -4.736 -12.583 1.00 0.00 C ATOM 601 O GLU A 42 2.771 -4.977 -13.576 1.00 0.00 O ATOM 602 CB GLU A 42 0.869 -6.673 -11.479 1.00 0.00 C ATOM 603 CG GLU A 42 0.352 -6.965 -12.883 1.00 0.00 C ATOM 604 CD GLU A 42 1.310 -7.817 -13.691 1.00 0.00 C ATOM 605 OE1 GLU A 42 2.033 -8.636 -13.083 1.00 0.00 O ATOM 606 OE2 GLU A 42 1.338 -7.669 -14.931 1.00 0.00 O ATOM 0 H GLU A 42 1.172 -5.173 -9.580 1.00 0.00 H new ATOM 0 HA GLU A 42 2.983 -6.285 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.158 -7.616 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.050 -6.264 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.610 -7.473 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.179 -6.024 -13.406 1.00 0.00 H new ATOM 611 N LYS A 43 1.330 -3.640 -12.473 1.00 0.00 N ATOM 612 CA LYS A 43 1.241 -2.681 -13.568 1.00 0.00 C ATOM 613 C LYS A 43 2.558 -1.924 -13.803 1.00 0.00 C ATOM 614 O LYS A 43 2.974 -1.763 -14.950 1.00 0.00 O ATOM 615 CB LYS A 43 0.018 -1.747 -13.390 1.00 0.00 C ATOM 616 CG LYS A 43 0.307 -0.282 -13.045 1.00 0.00 C ATOM 617 CD LYS A 43 -0.416 0.137 -11.777 1.00 0.00 C ATOM 618 CE LYS A 43 0.167 -0.575 -10.579 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.796 -0.671 -9.459 1.00 0.00 N ATOM 0 H LYS A 43 0.781 -3.399 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 43 1.076 -3.245 -14.486 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.563 -1.770 -14.312 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.614 -2.162 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.380 -0.141 -12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.003 0.357 -13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.333 1.216 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.478 -0.093 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.481 -1.577 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.059 -0.046 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.647 -1.565 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.653 0.128 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.766 -0.643 -9.832 1.00 0.00 H new ATOM 629 N ASP A 44 3.218 -1.458 -12.741 1.00 0.00 N ATOM 630 CA ASP A 44 4.466 -0.685 -12.913 1.00 0.00 C ATOM 631 C ASP A 44 5.658 -1.267 -12.142 1.00 0.00 C ATOM 632 O ASP A 44 6.785 -0.794 -12.281 1.00 0.00 O ATOM 633 CB ASP A 44 4.250 0.769 -12.490 1.00 0.00 C ATOM 634 CG ASP A 44 5.492 1.616 -12.690 1.00 0.00 C ATOM 635 OD1 ASP A 44 6.255 1.338 -13.639 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.702 2.558 -11.897 1.00 0.00 O ATOM 0 H ASP A 44 2.925 -1.593 -11.773 1.00 0.00 H new ATOM 0 HA ASP A 44 4.713 -0.742 -13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.427 1.194 -13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.956 0.800 -11.441 1.00 0.00 H new ATOM 640 N GLY A 45 5.402 -2.282 -11.340 1.00 0.00 N ATOM 641 CA GLY A 45 6.478 -2.904 -10.572 1.00 0.00 C ATOM 642 C GLY A 45 6.919 -2.111 -9.354 1.00 0.00 C ATOM 643 O GLY A 45 8.084 -2.179 -8.964 1.00 0.00 O ATOM 0 H GLY A 45 4.479 -2.692 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.152 -3.893 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.338 -3.050 -11.226 1.00 0.00 H new ATOM 647 N SER A 46 6.009 -1.361 -8.745 1.00 0.00 N ATOM 648 CA SER A 46 6.366 -0.576 -7.567 1.00 0.00 C ATOM 649 C SER A 46 6.168 -1.408 -6.305 1.00 0.00 C ATOM 650 O SER A 46 5.144 -2.058 -6.145 1.00 0.00 O ATOM 651 CB SER A 46 5.515 0.694 -7.495 1.00 0.00 C ATOM 652 OG SER A 46 5.923 1.638 -8.470 1.00 0.00 O ATOM 0 H SER A 46 5.036 -1.279 -9.039 1.00 0.00 H new ATOM 0 HA SER A 46 7.415 -0.290 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.466 0.441 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.597 1.134 -6.501 1.00 0.00 H new ATOM 0 HG SER A 46 5.363 2.439 -8.404 1.00 0.00 H new ATOM 657 N LYS A 47 7.111 -1.313 -5.372 1.00 0.00 N ATOM 658 CA LYS A 47 7.033 -2.081 -4.131 1.00 0.00 C ATOM 659 C LYS A 47 6.979 -1.161 -2.931 1.00 0.00 C ATOM 660 O LYS A 47 7.551 -0.070 -2.948 1.00 0.00 O ATOM 661 CB LYS A 47 8.214 -3.042 -3.954 1.00 0.00 C ATOM 662 CG LYS A 47 9.447 -2.661 -4.756 1.00 0.00 C ATOM 663 CD LYS A 47 10.727 -3.054 -4.035 1.00 0.00 C ATOM 664 CE LYS A 47 11.551 -4.036 -4.853 1.00 0.00 C ATOM 665 NZ LYS A 47 12.834 -3.437 -5.314 1.00 0.00 N ATOM 0 H LYS A 47 7.934 -0.716 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 47 6.118 -2.669 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.479 -3.084 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.900 -4.045 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.413 -3.149 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.446 -1.586 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.319 -2.162 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.480 -3.499 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.759 -4.922 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.973 -4.364 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.366 -4.139 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.636 -2.606 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.398 -3.147 -4.490 1.00 0.00 H new ATOM 675 N GLY A 48 6.291 -1.594 -1.886 1.00 0.00 N ATOM 676 CA GLY A 48 6.203 -0.803 -0.683 1.00 0.00 C ATOM 677 C GLY A 48 5.200 -1.338 0.310 1.00 0.00 C ATOM 678 O GLY A 48 4.292 -2.089 -0.046 1.00 0.00 O ATOM 0 H GLY A 48 5.791 -2.483 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.185 -0.761 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.933 0.219 -0.947 1.00 0.00 H new ATOM 682 N LEU A 49 5.373 -0.946 1.560 1.00 0.00 N ATOM 683 CA LEU A 49 4.506 -1.371 2.623 1.00 0.00 C ATOM 684 C LEU A 49 3.186 -0.648 2.424 1.00 0.00 C ATOM 685 O LEU A 49 3.182 0.504 2.024 1.00 0.00 O ATOM 686 CB LEU A 49 5.211 -1.022 3.929 1.00 0.00 C ATOM 687 CG LEU A 49 4.344 -0.627 5.101 1.00 0.00 C ATOM 688 CD1 LEU A 49 4.731 -1.459 6.309 1.00 0.00 C ATOM 689 CD2 LEU A 49 4.513 0.849 5.401 1.00 0.00 C ATOM 0 H LEU A 49 6.123 -0.322 1.858 1.00 0.00 H new ATOM 0 HA LEU A 49 4.296 -2.440 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.811 -1.881 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.903 -0.203 3.730 1.00 0.00 H new ATOM 0 HG LEU A 49 3.297 -0.809 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.108 -1.178 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.585 -2.516 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.779 -1.282 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.883 1.123 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.556 1.054 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.222 1.433 4.528 1.00 0.00 H new ATOM 700 N PHE A 50 2.054 -1.287 2.651 1.00 0.00 N ATOM 701 CA PHE A 50 0.802 -0.621 2.385 1.00 0.00 C ATOM 702 C PHE A 50 -0.316 -0.992 3.332 1.00 0.00 C ATOM 703 O PHE A 50 -0.346 -2.081 3.896 1.00 0.00 O ATOM 704 CB PHE A 50 0.372 -0.910 0.947 1.00 0.00 C ATOM 705 CG PHE A 50 0.048 -2.357 0.681 1.00 0.00 C ATOM 706 CD1 PHE A 50 1.060 -3.285 0.482 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.268 -2.787 0.625 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.763 -4.615 0.233 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.568 -4.114 0.375 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.552 -5.027 0.180 1.00 0.00 C ATOM 0 H PHE A 50 1.978 -2.239 3.009 1.00 0.00 H new ATOM 0 HA PHE A 50 0.984 0.443 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.503 -0.304 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.168 -0.597 0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.091 -2.967 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.068 -2.078 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.560 -5.328 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.598 -4.436 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.786 -6.063 -0.014 1.00 0.00 H new ATOM 719 N PRO A 51 -1.270 -0.063 3.479 1.00 0.00 N ATOM 720 CA PRO A 51 -2.435 -0.238 4.322 1.00 0.00 C ATOM 721 C PRO A 51 -3.249 -1.457 3.942 1.00 0.00 C ATOM 722 O PRO A 51 -2.898 -2.228 3.047 1.00 0.00 O ATOM 723 CB PRO A 51 -3.290 1.013 4.106 1.00 0.00 C ATOM 724 CG PRO A 51 -2.374 2.019 3.509 1.00 0.00 C ATOM 725 CD PRO A 51 -1.294 1.251 2.797 1.00 0.00 C ATOM 0 HA PRO A 51 -2.125 -0.379 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.130 0.805 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.707 1.371 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.910 2.667 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.948 2.661 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.516 1.144 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.331 1.756 2.872 1.00 0.00 H new ATOM 730 N SER A 52 -4.344 -1.590 4.670 1.00 0.00 N ATOM 731 CA SER A 52 -5.198 -2.721 4.303 1.00 0.00 C ATOM 732 C SER A 52 -6.662 -2.398 4.147 1.00 0.00 C ATOM 733 O SER A 52 -7.427 -3.179 3.583 1.00 0.00 O ATOM 734 CB SER A 52 -4.950 -3.900 5.245 1.00 0.00 C ATOM 735 OG SER A 52 -5.712 -5.033 4.861 1.00 0.00 O ATOM 0 H SER A 52 -4.649 -0.999 5.444 1.00 0.00 H new ATOM 0 HA SER A 52 -4.900 -3.006 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.890 -4.154 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.207 -3.614 6.265 1.00 0.00 H new ATOM 0 HG SER A 52 -5.109 -5.772 4.637 1.00 0.00 H new ATOM 740 N ASN A 53 -7.053 -1.241 4.651 1.00 0.00 N ATOM 741 CA ASN A 53 -8.410 -0.773 4.531 1.00 0.00 C ATOM 742 C ASN A 53 -8.598 -0.007 3.216 1.00 0.00 C ATOM 743 O ASN A 53 -9.717 0.120 2.720 1.00 0.00 O ATOM 744 CB ASN A 53 -8.766 0.095 5.740 1.00 0.00 C ATOM 745 CG ASN A 53 -8.100 1.456 5.698 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.134 1.665 4.964 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.615 2.391 6.490 1.00 0.00 N ATOM 0 H ASN A 53 -6.434 -0.604 5.154 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.086 -1.628 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.847 0.225 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.470 -0.422 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.209 3.326 6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.417 2.173 7.082 1.00 0.00 H new ATOM 753 N TYR A 54 -7.483 0.505 2.648 1.00 0.00 N ATOM 754 CA TYR A 54 -7.518 1.243 1.385 1.00 0.00 C ATOM 755 C TYR A 54 -7.548 0.258 0.186 1.00 0.00 C ATOM 756 O TYR A 54 -7.786 0.671 -0.948 1.00 0.00 O ATOM 757 CB TYR A 54 -6.296 2.189 1.231 1.00 0.00 C ATOM 758 CG TYR A 54 -6.513 3.648 1.561 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.569 4.052 2.879 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.583 4.630 0.569 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.691 5.379 3.211 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.717 5.961 0.899 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.767 6.333 2.217 1.00 0.00 C ATOM 764 OH TYR A 54 -6.877 7.667 2.538 1.00 0.00 O ATOM 0 H TYR A 54 -6.551 0.415 3.052 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.424 1.849 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.494 1.813 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.944 2.123 0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.516 3.312 3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.531 4.342 -0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.727 5.676 4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.782 6.708 0.122 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.648 7.799 3.128 1.00 0.00 H new ATOM 773 N VAL A 55 -7.302 -1.056 0.445 1.00 0.00 N ATOM 774 CA VAL A 55 -7.251 -2.075 -0.635 1.00 0.00 C ATOM 775 C VAL A 55 -7.892 -3.417 -0.269 1.00 0.00 C ATOM 776 O VAL A 55 -8.053 -3.750 0.905 1.00 0.00 O ATOM 777 CB VAL A 55 -5.800 -2.429 -1.024 1.00 0.00 C ATOM 778 CG1 VAL A 55 -5.030 -1.203 -1.444 1.00 0.00 C ATOM 779 CG2 VAL A 55 -5.092 -3.161 0.108 1.00 0.00 C ATOM 0 H VAL A 55 -7.138 -1.428 1.380 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.804 -1.599 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.843 -3.101 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.012 -1.487 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.517 -0.745 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.003 -0.490 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.072 -3.398 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.070 -2.527 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.627 -4.083 0.335 1.00 0.00 H new ATOM 789 N SER A 56 -8.254 -4.174 -1.301 1.00 0.00 N ATOM 790 CA SER A 56 -8.817 -5.509 -1.145 1.00 0.00 C ATOM 791 C SER A 56 -7.854 -6.548 -1.736 1.00 0.00 C ATOM 792 O SER A 56 -7.370 -6.381 -2.853 1.00 0.00 O ATOM 793 CB SER A 56 -10.158 -5.603 -1.856 1.00 0.00 C ATOM 794 OG SER A 56 -11.145 -6.180 -1.021 1.00 0.00 O ATOM 0 H SER A 56 -8.164 -3.876 -2.272 1.00 0.00 H new ATOM 0 HA SER A 56 -8.963 -5.705 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.478 -4.608 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.051 -6.200 -2.762 1.00 0.00 H new ATOM 0 HG SER A 56 -11.996 -6.226 -1.504 1.00 0.00 H new ATOM 799 N LEU A 57 -7.630 -7.640 -1.005 1.00 0.00 N ATOM 800 CA LEU A 57 -6.709 -8.679 -1.482 1.00 0.00 C ATOM 801 C LEU A 57 -7.386 -9.606 -2.482 1.00 0.00 C ATOM 802 O LEU A 57 -8.484 -10.108 -2.244 1.00 0.00 O ATOM 803 CB LEU A 57 -6.160 -9.516 -0.327 1.00 0.00 C ATOM 804 CG LEU A 57 -5.196 -8.793 0.620 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.840 -9.683 1.804 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.931 -8.382 -0.117 1.00 0.00 C ATOM 0 H LEU A 57 -8.061 -7.829 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.885 -8.160 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.001 -9.891 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.648 -10.384 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.694 -7.897 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.155 -9.152 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.747 -9.940 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.363 -10.595 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.259 -7.870 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.437 -9.269 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.189 -7.712 -0.937 1.00 0.00 H new ATOM 817 N GLY A 58 -6.714 -9.819 -3.604 1.00 0.00 N ATOM 818 CA GLY A 58 -7.251 -10.673 -4.647 1.00 0.00 C ATOM 819 C GLY A 58 -7.018 -12.151 -4.372 1.00 0.00 C ATOM 820 O GLY A 58 -7.283 -12.991 -5.232 1.00 0.00 O ATOM 0 H GLY A 58 -5.801 -9.414 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.321 -10.490 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.793 -10.408 -5.600 1.00 0.00 H new ATOM 824 N ASN A 59 -6.522 -12.474 -3.177 1.00 0.00 N ATOM 825 CA ASN A 59 -6.245 -13.857 -2.813 1.00 0.00 C ATOM 826 C ASN A 59 -6.596 -14.116 -1.351 1.00 0.00 C ATOM 827 O ASN A 59 -7.294 -15.078 -1.040 1.00 0.00 O ATOM 828 CB ASN A 59 -4.771 -14.184 -3.061 1.00 0.00 C ATOM 829 CG ASN A 59 -4.462 -15.654 -2.859 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.047 -16.311 -1.998 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.537 -16.179 -3.655 1.00 0.00 N ATOM 0 H ASN A 59 -6.305 -11.795 -2.448 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.864 -14.502 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.504 -13.896 -4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.152 -13.590 -2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.287 -17.164 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.077 -15.597 -4.355 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -15.697 7.534 -10.190 1.00 0.00 N ATOM 839 CA ALA B 7 -15.471 8.832 -9.504 1.00 0.00 C ATOM 840 C ALA B 7 -16.051 8.812 -8.094 1.00 0.00 C ATOM 841 O ALA B 7 -17.269 8.784 -7.917 1.00 0.00 O ATOM 842 CB ALA B 7 -16.106 9.966 -10.294 1.00 0.00 C ATOM 0 HA ALA B 7 -14.395 8.992 -9.440 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -15.932 10.911 -9.779 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -15.663 10.009 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -17.179 9.793 -10.381 1.00 0.00 H new ATOM 850 N LYS B 6 -15.178 8.828 -7.092 1.00 0.00 N ATOM 851 CA LYS B 6 -15.641 8.803 -5.712 1.00 0.00 C ATOM 852 C LYS B 6 -15.391 10.163 -5.025 1.00 0.00 C ATOM 853 O LYS B 6 -16.005 11.153 -5.412 1.00 0.00 O ATOM 854 CB LYS B 6 -15.017 7.619 -4.937 1.00 0.00 C ATOM 855 CG LYS B 6 -13.505 7.435 -5.129 1.00 0.00 C ATOM 856 CD LYS B 6 -12.996 6.255 -4.318 1.00 0.00 C ATOM 857 CE LYS B 6 -11.690 5.716 -4.879 1.00 0.00 C ATOM 858 NZ LYS B 6 -11.730 5.600 -6.363 1.00 0.00 N ATOM 0 H LYS B 6 -14.165 8.858 -7.207 1.00 0.00 H new ATOM 0 HA LYS B 6 -16.719 8.641 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.218 7.755 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.520 6.701 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -13.285 7.278 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -12.983 8.342 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -12.850 6.560 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -13.746 5.464 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -10.871 6.374 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -11.484 4.738 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -10.895 5.075 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -12.592 5.093 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -11.731 6.550 -6.786 1.00 0.00 H new ATOM 868 N LYS B 5 -14.483 10.169 -4.026 1.00 0.00 N ATOM 869 CA LYS B 5 -14.089 11.379 -3.269 1.00 0.00 C ATOM 870 C LYS B 5 -14.051 11.137 -1.757 1.00 0.00 C ATOM 871 O LYS B 5 -14.045 12.071 -0.955 1.00 0.00 O ATOM 872 CB LYS B 5 -14.913 12.630 -3.605 1.00 0.00 C ATOM 873 CG LYS B 5 -14.518 13.291 -4.918 1.00 0.00 C ATOM 874 CD LYS B 5 -13.545 14.437 -4.692 1.00 0.00 C ATOM 875 CE LYS B 5 -12.116 14.024 -5.007 1.00 0.00 C ATOM 876 NZ LYS B 5 -11.148 15.125 -4.746 1.00 0.00 N ATOM 0 H LYS B 5 -13.997 9.326 -3.718 1.00 0.00 H new ATOM 0 HA LYS B 5 -13.073 11.588 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -15.968 12.358 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -14.804 13.354 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -14.064 12.551 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -15.410 13.663 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -13.827 15.284 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -13.609 14.771 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -11.848 13.155 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -12.048 13.721 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -10.186 14.802 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -11.387 15.945 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -11.194 15.397 -3.743 1.00 0.00 H new ATOM 886 N THR B 4 -14.027 9.852 -1.395 1.00 0.00 N ATOM 887 CA THR B 4 -13.875 9.460 -0.010 1.00 0.00 C ATOM 888 C THR B 4 -12.966 8.254 0.043 1.00 0.00 C ATOM 889 O THR B 4 -13.173 7.269 -0.667 1.00 0.00 O ATOM 890 CB THR B 4 -15.203 9.094 0.679 1.00 0.00 C ATOM 891 OG1 THR B 4 -16.307 9.572 -0.101 1.00 0.00 O ATOM 892 CG2 THR B 4 -15.268 9.692 2.077 1.00 0.00 C ATOM 0 H THR B 4 -14.111 9.073 -2.048 1.00 0.00 H new ATOM 0 HA THR B 4 -13.465 10.318 0.522 1.00 0.00 H new ATOM 0 HB THR B 4 -15.259 8.009 0.761 1.00 0.00 H new ATOM 0 HG1 THR B 4 -17.148 9.334 0.342 1.00 0.00 H new ATOM 0 HG21 THR B 4 -16.214 9.421 2.545 1.00 0.00 H new ATOM 0 HG22 THR B 4 -14.443 9.307 2.676 1.00 0.00 H new ATOM 0 HG23 THR B 4 -15.193 10.777 2.012 1.00 0.00 H new ATOM 900 N LYS B 3 -11.962 8.339 0.883 1.00 0.00 N ATOM 901 CA LYS B 3 -11.039 7.244 1.055 1.00 0.00 C ATOM 902 C LYS B 3 -10.679 7.117 2.530 1.00 0.00 C ATOM 903 O LYS B 3 -10.380 8.118 3.181 1.00 0.00 O ATOM 904 CB LYS B 3 -9.780 7.434 0.194 1.00 0.00 C ATOM 905 CG LYS B 3 -9.476 8.886 -0.166 1.00 0.00 C ATOM 906 CD LYS B 3 -8.828 8.986 -1.533 1.00 0.00 C ATOM 907 CE LYS B 3 -7.458 9.617 -1.436 1.00 0.00 C ATOM 908 NZ LYS B 3 -7.513 10.984 -0.847 1.00 0.00 N ATOM 0 H LYS B 3 -11.764 9.157 1.459 1.00 0.00 H new ATOM 0 HA LYS B 3 -11.518 6.323 0.722 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.925 7.017 0.726 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -9.894 6.860 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.398 9.467 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -8.816 9.319 0.585 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -8.745 7.993 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.459 9.577 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -6.811 8.986 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.011 9.668 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -6.739 11.561 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -8.425 11.426 -1.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.413 10.921 0.186 1.00 0.00 H new ATOM 918 N PRO B 2 -10.744 5.893 3.083 1.00 0.00 N ATOM 919 CA PRO B 2 -10.414 5.632 4.485 1.00 0.00 C ATOM 920 C PRO B 2 -9.208 6.433 4.944 1.00 0.00 C ATOM 921 O PRO B 2 -8.507 7.020 4.135 1.00 0.00 O ATOM 922 CB PRO B 2 -10.014 4.161 4.435 1.00 0.00 C ATOM 923 CG PRO B 2 -10.908 3.573 3.402 1.00 0.00 C ATOM 924 CD PRO B 2 -11.119 4.655 2.375 1.00 0.00 C ATOM 0 HA PRO B 2 -11.230 5.886 5.161 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.964 4.043 4.167 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.152 3.678 5.402 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.456 2.689 2.951 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.856 3.259 3.839 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.499 4.495 1.493 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.154 4.687 2.035 1.00 0.00 H new ATOM 929 N THR B 1 -8.980 6.490 6.237 1.00 0.00 N ATOM 930 CA THR B 1 -7.800 7.164 6.743 1.00 0.00 C ATOM 931 C THR B 1 -6.729 6.108 6.935 1.00 0.00 C ATOM 932 O THR B 1 -6.903 5.215 7.766 1.00 0.00 O ATOM 933 CB THR B 1 -8.073 7.882 8.078 1.00 0.00 C ATOM 934 OG1 THR B 1 -9.406 8.404 8.091 1.00 0.00 O ATOM 935 CG2 THR B 1 -7.079 9.013 8.295 1.00 0.00 C ATOM 0 H THR B 1 -9.585 6.085 6.951 1.00 0.00 H new ATOM 0 HA THR B 1 -7.486 7.930 6.033 1.00 0.00 H new ATOM 0 HB THR B 1 -7.960 7.158 8.885 1.00 0.00 H new ATOM 0 HG1 THR B 1 -9.572 8.857 8.944 1.00 0.00 H new ATOM 0 HG21 THR B 1 -7.290 9.506 9.244 1.00 0.00 H new ATOM 0 HG22 THR B 1 -6.067 8.609 8.314 1.00 0.00 H new ATOM 0 HG23 THR B 1 -7.167 9.735 7.483 1.00 0.00 H new ATOM 943 N PRO B 0 -5.606 6.160 6.180 1.00 0.00 N ATOM 944 CA PRO B 0 -4.557 5.140 6.293 1.00 0.00 C ATOM 945 C PRO B 0 -4.295 4.793 7.752 1.00 0.00 C ATOM 946 O PRO B 0 -3.653 5.551 8.477 1.00 0.00 O ATOM 947 CB PRO B 0 -3.370 5.811 5.610 1.00 0.00 C ATOM 948 CG PRO B 0 -4.035 6.588 4.530 1.00 0.00 C ATOM 949 CD PRO B 0 -5.225 7.216 5.212 1.00 0.00 C ATOM 0 HA PRO B 0 -4.806 4.182 5.835 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -2.816 6.454 6.294 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.663 5.083 5.213 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.369 7.344 4.114 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.341 5.944 3.706 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -4.967 8.152 5.707 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -6.029 7.438 4.510 1.00 0.00 H new ATOM 954 N PRO B -1 -4.801 3.626 8.198 1.00 0.00 N ATOM 955 CA PRO B -1 -4.693 3.211 9.591 1.00 0.00 C ATOM 956 C PRO B -1 -3.271 3.257 10.099 1.00 0.00 C ATOM 957 O PRO B -1 -2.325 3.356 9.317 1.00 0.00 O ATOM 958 CB PRO B -1 -5.216 1.768 9.599 1.00 0.00 C ATOM 959 CG PRO B -1 -5.192 1.339 8.176 1.00 0.00 C ATOM 960 CD PRO B -1 -5.443 2.585 7.376 1.00 0.00 C ATOM 0 HA PRO B -1 -5.254 3.877 10.246 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -4.588 1.125 10.215 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -6.225 1.717 10.009 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.232 0.893 7.917 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -5.956 0.587 7.980 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -5.002 2.524 6.381 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.508 2.773 7.242 1.00 0.00 H new ATOM 965 N PRO B -2 -3.107 3.196 11.429 1.00 0.00 N ATOM 966 CA PRO B -2 -1.797 3.203 12.066 1.00 0.00 C ATOM 967 C PRO B -2 -0.769 2.423 11.258 1.00 0.00 C ATOM 968 O PRO B -2 -1.130 1.573 10.445 1.00 0.00 O ATOM 969 CB PRO B -2 -2.084 2.448 13.360 1.00 0.00 C ATOM 970 CG PRO B -2 -3.474 2.844 13.723 1.00 0.00 C ATOM 971 CD PRO B -2 -4.195 3.105 12.425 1.00 0.00 C ATOM 0 HA PRO B -2 -1.388 4.206 12.185 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -2.003 1.370 13.217 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.377 2.720 14.143 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -3.967 2.054 14.289 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.472 3.734 14.352 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.891 2.301 12.185 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.776 4.026 12.468 1.00 0.00 H new ATOM 976 N LYS B -3 0.495 2.701 11.477 1.00 0.00 N ATOM 977 CA LYS B -3 1.562 2.012 10.780 1.00 0.00 C ATOM 978 C LYS B -3 2.597 1.600 11.793 1.00 0.00 C ATOM 979 O LYS B -3 3.225 2.462 12.409 1.00 0.00 O ATOM 980 CB LYS B -3 2.209 2.902 9.720 1.00 0.00 C ATOM 981 CG LYS B -3 1.247 3.872 9.057 1.00 0.00 C ATOM 982 CD LYS B -3 1.349 5.266 9.659 1.00 0.00 C ATOM 983 CE LYS B -3 0.374 6.227 8.999 1.00 0.00 C ATOM 984 NZ LYS B -3 -0.078 7.292 9.937 1.00 0.00 N ATOM 0 H LYS B -3 0.814 3.407 12.140 1.00 0.00 H new ATOM 0 HA LYS B -3 1.147 1.143 10.270 1.00 0.00 H new ATOM 0 HB2 LYS B -3 3.019 3.467 10.180 1.00 0.00 H new ATOM 0 HB3 LYS B -3 2.657 2.270 8.954 1.00 0.00 H new ATOM 0 HG2 LYS B -3 1.458 3.921 7.989 1.00 0.00 H new ATOM 0 HG3 LYS B -3 0.227 3.503 9.164 1.00 0.00 H new ATOM 0 HD2 LYS B -3 1.147 5.218 10.729 1.00 0.00 H new ATOM 0 HD3 LYS B -3 2.366 5.641 9.543 1.00 0.00 H new ATOM 0 HE2 LYS B -3 0.848 6.685 8.131 1.00 0.00 H new ATOM 0 HE3 LYS B -3 -0.491 5.673 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 -0.742 7.926 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 -0.553 6.857 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 0.744 7.838 10.265 1.00 0.00 H new ATOM 994 N PRO B -4 2.788 0.286 12.008 1.00 0.00 N ATOM 995 CA PRO B -4 3.752 -0.187 12.989 1.00 0.00 C ATOM 996 C PRO B -4 5.041 0.637 12.891 1.00 0.00 C ATOM 997 O PRO B -4 5.765 0.604 11.897 1.00 0.00 O ATOM 998 CB PRO B -4 3.897 -1.688 12.692 1.00 0.00 C ATOM 999 CG PRO B -4 2.862 -2.033 11.661 1.00 0.00 C ATOM 1000 CD PRO B -4 2.056 -0.802 11.357 1.00 0.00 C ATOM 0 HA PRO B -4 3.448 -0.060 14.028 1.00 0.00 H new ATOM 0 HB2 PRO B -4 4.898 -1.913 12.324 1.00 0.00 H new ATOM 0 HB3 PRO B -4 3.750 -2.276 13.598 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.340 -2.405 10.755 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.213 -2.828 12.028 1.00 0.00 H new ATOM 0 HD2 PRO B -4 1.973 -0.637 10.283 1.00 0.00 H new ATOM 0 HD3 PRO B -4 1.041 -0.886 11.746 1.00 0.00 H new ATOM 1005 N SER B -5 5.285 1.382 13.966 1.00 0.00 N ATOM 1006 CA SER B -5 6.366 2.364 14.045 1.00 0.00 C ATOM 1007 C SER B -5 7.734 1.897 13.557 1.00 0.00 C ATOM 1008 O SER B -5 8.625 2.711 13.314 1.00 0.00 O ATOM 1009 CB SER B -5 6.412 2.975 15.449 1.00 0.00 C ATOM 1010 OG SER B -5 6.893 2.038 16.398 1.00 0.00 O ATOM 0 H SER B -5 4.730 1.321 14.820 1.00 0.00 H new ATOM 0 HA SER B -5 6.115 3.138 13.319 1.00 0.00 H new ATOM 0 HB2 SER B -5 7.054 3.855 15.445 1.00 0.00 H new ATOM 0 HB3 SER B -5 5.415 3.309 15.736 1.00 0.00 H new ATOM 0 HG SER B -5 6.914 2.453 17.286 1.00 0.00 H new ATOM 1015 N HIS B -6 7.896 0.590 13.412 1.00 0.00 N ATOM 1016 CA HIS B -6 9.137 0.028 12.901 1.00 0.00 C ATOM 1017 C HIS B -6 9.190 0.120 11.367 1.00 0.00 C ATOM 1018 O HIS B -6 10.163 -0.311 10.747 1.00 0.00 O ATOM 1019 CB HIS B -6 9.282 -1.432 13.356 1.00 0.00 C ATOM 1020 CG HIS B -6 8.014 -2.229 13.331 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.094 -2.206 14.357 1.00 0.00 N ATOM 1022 CD2 HIS B -6 7.528 -3.093 12.409 1.00 0.00 C ATOM 1023 CE1 HIS B -6 6.097 -3.024 14.071 1.00 0.00 C ATOM 1024 NE2 HIS B -6 6.336 -3.573 12.895 1.00 0.00 N ATOM 0 H HIS B -6 7.182 -0.102 13.641 1.00 0.00 H new ATOM 0 HA HIS B -6 9.968 0.607 13.303 1.00 0.00 H new ATOM 0 HB2 HIS B -6 10.016 -1.925 12.719 1.00 0.00 H new ATOM 0 HB3 HIS B -6 9.681 -1.443 14.370 1.00 0.00 H new ATOM 0 HD1 HIS B -6 7.171 -1.645 15.205 1.00 0.00 H new ATOM 0 HD2 HIS B -6 7.990 -3.355 11.469 1.00 0.00 H new ATOM 0 HE1 HIS B -6 5.234 -3.211 14.693 1.00 0.00 H new ATOM 1032 N LEU B -7 8.131 0.684 10.757 1.00 0.00 N ATOM 1033 CA LEU B -7 8.096 0.823 9.299 1.00 0.00 C ATOM 1034 C LEU B -7 8.089 2.274 8.847 1.00 0.00 C ATOM 1035 O LEU B -7 7.356 2.646 7.931 1.00 0.00 O ATOM 1036 CB LEU B -7 6.932 0.036 8.673 1.00 0.00 C ATOM 1037 CG LEU B -7 6.228 -0.988 9.568 1.00 0.00 C ATOM 1038 CD1 LEU B -7 4.729 -0.728 9.593 1.00 0.00 C ATOM 1039 CD2 LEU B -7 6.514 -2.398 9.076 1.00 0.00 C ATOM 0 H LEU B -7 7.308 1.042 11.242 1.00 0.00 H new ATOM 0 HA LEU B -7 9.024 0.385 8.933 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.187 0.752 8.325 1.00 0.00 H new ATOM 0 HB3 LEU B -7 7.309 -0.485 7.793 1.00 0.00 H new ATOM 0 HG LEU B -7 6.612 -0.888 10.583 1.00 0.00 H new ATOM 0 HD11 LEU B -7 4.243 -1.464 10.233 1.00 0.00 H new ATOM 0 HD12 LEU B -7 4.540 0.273 9.982 1.00 0.00 H new ATOM 0 HD13 LEU B -7 4.329 -0.806 8.582 1.00 0.00 H new ATOM 0 HD21 LEU B -7 6.008 -3.118 9.720 1.00 0.00 H new ATOM 0 HD22 LEU B -7 6.151 -2.507 8.054 1.00 0.00 H new ATOM 0 HD23 LEU B -7 7.588 -2.581 9.101 1.00 0.00 H new ATOM 1050 N LYS B -8 8.909 3.097 9.493 1.00 0.00 N ATOM 1051 CA LYS B -8 9.034 4.501 9.131 1.00 0.00 C ATOM 1052 C LYS B -8 10.421 4.769 8.552 1.00 0.00 C ATOM 1053 O LYS B -8 11.421 4.257 9.059 1.00 0.00 O ATOM 1054 CB LYS B -8 8.779 5.391 10.347 1.00 0.00 C ATOM 1055 CG LYS B -8 7.335 5.860 10.460 1.00 0.00 C ATOM 1056 CD LYS B -8 6.374 4.686 10.564 1.00 0.00 C ATOM 1057 CE LYS B -8 5.239 4.805 9.559 1.00 0.00 C ATOM 1058 NZ LYS B -8 4.990 3.520 8.849 1.00 0.00 N ATOM 0 H LYS B -8 9.499 2.812 10.274 1.00 0.00 H new ATOM 0 HA LYS B -8 8.287 4.737 8.373 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.048 4.844 11.251 1.00 0.00 H new ATOM 0 HB3 LYS B -8 9.433 6.261 10.295 1.00 0.00 H new ATOM 0 HG2 LYS B -8 7.226 6.499 11.336 1.00 0.00 H new ATOM 0 HG3 LYS B -8 7.079 6.465 9.590 1.00 0.00 H new ATOM 0 HD2 LYS B -8 6.915 3.755 10.395 1.00 0.00 H new ATOM 0 HD3 LYS B -8 5.965 4.638 11.573 1.00 0.00 H new ATOM 0 HE2 LYS B -8 4.330 5.118 10.073 1.00 0.00 H new ATOM 0 HE3 LYS B -8 5.478 5.581 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 4.177 3.628 8.210 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.832 3.260 8.297 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 4.787 2.773 9.544 1.00 0.00 H new ATOM 1068 N PRO B -9 10.503 5.575 7.482 1.00 0.00 N ATOM 1069 CA PRO B -9 11.776 5.888 6.825 1.00 0.00 C ATOM 1070 C PRO B -9 12.881 6.201 7.827 1.00 0.00 C ATOM 1071 O PRO B -9 12.599 6.624 8.948 1.00 0.00 O ATOM 1072 CB PRO B -9 11.431 7.129 6.007 1.00 0.00 C ATOM 1073 CG PRO B -9 9.993 6.966 5.666 1.00 0.00 C ATOM 1074 CD PRO B -9 9.365 6.252 6.833 1.00 0.00 C ATOM 0 HA PRO B -9 12.158 5.055 6.236 1.00 0.00 H new ATOM 0 HB2 PRO B -9 11.602 8.041 6.579 1.00 0.00 H new ATOM 0 HB3 PRO B -9 12.046 7.196 5.110 1.00 0.00 H new ATOM 0 HG2 PRO B -9 9.520 7.934 5.501 1.00 0.00 H new ATOM 0 HG3 PRO B -9 9.873 6.392 4.747 1.00 0.00 H new ATOM 0 HD2 PRO B -9 8.874 6.949 7.512 1.00 0.00 H new ATOM 0 HD3 PRO B -9 8.608 5.539 6.506 1.00 0.00 H new ATOM 1079 N LYS B -10 14.138 6.000 7.441 1.00 0.00 N ATOM 1080 CA LYS B -10 15.253 6.300 8.332 1.00 0.00 C ATOM 1081 C LYS B -10 16.547 6.485 7.544 1.00 0.00 C ATOM 1082 O LYS B -10 17.254 7.472 7.732 1.00 0.00 O ATOM 1083 CB LYS B -10 15.424 5.182 9.361 1.00 0.00 C ATOM 1084 CG LYS B -10 15.416 3.791 8.749 1.00 0.00 C ATOM 1085 CD LYS B -10 16.300 2.833 9.529 1.00 0.00 C ATOM 1086 CE LYS B -10 16.163 1.407 9.018 1.00 0.00 C ATOM 1087 NZ LYS B -10 16.599 0.408 10.033 1.00 0.00 N ATOM 0 H LYS B -10 14.408 5.635 6.528 1.00 0.00 H new ATOM 0 HA LYS B -10 15.030 7.232 8.851 1.00 0.00 H new ATOM 0 HB2 LYS B -10 16.363 5.330 9.895 1.00 0.00 H new ATOM 0 HB3 LYS B -10 14.624 5.251 10.098 1.00 0.00 H new ATOM 0 HG2 LYS B -10 14.396 3.409 8.726 1.00 0.00 H new ATOM 0 HG3 LYS B -10 15.760 3.845 7.716 1.00 0.00 H new ATOM 0 HD2 LYS B -10 17.340 3.150 9.451 1.00 0.00 H new ATOM 0 HD3 LYS B -10 16.034 2.869 10.585 1.00 0.00 H new ATOM 0 HE2 LYS B -10 15.125 1.218 8.745 1.00 0.00 H new ATOM 0 HE3 LYS B -10 16.758 1.287 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 16.490 -0.551 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 17.597 0.572 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 16.015 0.504 10.888 1.00 0.00 H new TER 1097 LYS B -10