USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 788 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 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -85:sc= 0.169 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-6.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.56 F(o=-2.5!,f=-1.6) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.655 F(o=-1.5,f=-0.66) USER MOD Single : A 41 SER OG : rot -90:sc= -2.29! USER MOD Single : A 42 SER OG : rot 180:sc= -1.41 USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 0.773 (180deg=0.341) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= -0.266 (180deg=-0.968) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -150:sc= -0.443 (180deg=-2.06!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 41:sc= 0.749 USER MOD Single : A 91 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.51) USER MOD Single : A 98 SER OG : rot -64:sc= 0.0767 USER MOD Single : A 99 SER OG : rot 165:sc= 0.403 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -9.714 26.188 10.229 1.00 0.00 N ATOM 2 CA GLY A -2 -10.898 25.877 9.382 1.00 0.00 C ATOM 3 C GLY A -2 -10.585 25.928 7.898 1.00 0.00 C ATOM 4 O GLY A -2 -10.919 26.902 7.221 1.00 0.00 O ATOM 0 H1 GLY A -2 -9.983 26.139 11.233 1.00 0.00 H new ATOM 0 H2 GLY A -2 -8.960 25.498 10.039 1.00 0.00 H new ATOM 0 H3 GLY A -2 -9.371 27.145 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -11.272 24.885 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -11.696 26.585 9.606 1.00 0.00 H new ATOM 10 N SER A -1 -9.938 24.876 7.392 1.00 0.00 N ATOM 11 CA SER A -1 -9.573 24.797 5.977 1.00 0.00 C ATOM 12 C SER A -1 -9.959 23.440 5.389 1.00 0.00 C ATOM 13 O SER A -1 -9.749 22.400 6.016 1.00 0.00 O ATOM 14 CB SER A -1 -8.069 25.033 5.803 1.00 0.00 C ATOM 15 OG SER A -1 -7.700 26.326 6.248 1.00 0.00 O ATOM 0 H SER A -1 -9.656 24.065 7.943 1.00 0.00 H new ATOM 0 HA SER A -1 -10.120 25.573 5.442 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.513 24.280 6.362 1.00 0.00 H new ATOM 0 HB3 SER A -1 -7.798 24.915 4.754 1.00 0.00 H new ATOM 0 HG SER A -1 -6.735 26.450 6.128 1.00 0.00 H new ATOM 21 N HIS A 0 -10.525 23.460 4.179 1.00 0.00 N ATOM 22 CA HIS A 0 -10.943 22.232 3.500 1.00 0.00 C ATOM 23 C HIS A 0 -9.962 21.865 2.386 1.00 0.00 C ATOM 24 O HIS A 0 -9.504 22.734 1.641 1.00 0.00 O ATOM 25 CB HIS A 0 -12.353 22.398 2.920 1.00 0.00 C ATOM 26 CG HIS A 0 -13.424 22.508 3.963 1.00 0.00 C ATOM 27 ND1 HIS A 0 -14.030 21.412 4.539 1.00 0.00 N ATOM 28 CD2 HIS A 0 -13.997 23.595 4.534 1.00 0.00 C ATOM 29 CE1 HIS A 0 -14.929 21.819 5.417 1.00 0.00 C ATOM 30 NE2 HIS A 0 -14.928 23.139 5.434 1.00 0.00 N ATOM 0 H HIS A 0 -10.704 24.314 3.650 1.00 0.00 H new ATOM 0 HA HIS A 0 -10.952 21.426 4.233 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -12.376 23.289 2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -12.573 21.548 2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -13.765 24.628 4.321 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -15.558 21.180 6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -15.522 23.725 6.020 1.00 0.00 H new ATOM 39 N MET A 1 -9.646 20.572 2.280 1.00 0.00 N ATOM 40 CA MET A 1 -8.719 20.082 1.257 1.00 0.00 C ATOM 41 C MET A 1 -9.452 19.224 0.225 1.00 0.00 C ATOM 42 O MET A 1 -10.389 18.497 0.563 1.00 0.00 O ATOM 43 CB MET A 1 -7.592 19.271 1.906 1.00 0.00 C ATOM 44 CG MET A 1 -6.650 20.106 2.762 1.00 0.00 C ATOM 45 SD MET A 1 -5.324 19.129 3.498 1.00 0.00 S ATOM 46 CE MET A 1 -4.471 20.380 4.455 1.00 0.00 C ATOM 0 H MET A 1 -10.019 19.845 2.891 1.00 0.00 H new ATOM 0 HA MET A 1 -8.289 20.944 0.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.030 18.487 2.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.016 18.777 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.216 20.897 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.220 20.592 3.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.623 19.929 4.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.115 21.167 3.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.156 20.807 5.188 1.00 0.00 H new ATOM 56 N SER A 2 -9.017 19.312 -1.033 1.00 0.00 N ATOM 57 CA SER A 2 -9.628 18.544 -2.119 1.00 0.00 C ATOM 58 C SER A 2 -8.909 17.210 -2.313 1.00 0.00 C ATOM 59 O SER A 2 -7.694 17.174 -2.521 1.00 0.00 O ATOM 60 CB SER A 2 -9.601 19.350 -3.422 1.00 0.00 C ATOM 61 OG SER A 2 -10.378 18.725 -4.429 1.00 0.00 O ATOM 0 H SER A 2 -8.243 19.908 -1.325 1.00 0.00 H new ATOM 0 HA SER A 2 -10.664 18.341 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.980 20.355 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.572 19.455 -3.766 1.00 0.00 H new ATOM 0 HG SER A 2 -10.344 19.262 -5.248 1.00 0.00 H new ATOM 67 N ALA A 3 -9.667 16.113 -2.241 1.00 0.00 N ATOM 68 CA ALA A 3 -9.108 14.770 -2.405 1.00 0.00 C ATOM 69 C ALA A 3 -9.768 14.028 -3.568 1.00 0.00 C ATOM 70 O ALA A 3 -9.085 13.392 -4.372 1.00 0.00 O ATOM 71 CB ALA A 3 -9.259 13.976 -1.115 1.00 0.00 C ATOM 0 H ALA A 3 -10.672 16.130 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.048 14.874 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.839 12.979 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.730 14.486 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.316 13.893 -0.860 1.00 0.00 H new ATOM 77 N GLY A 4 -11.100 14.109 -3.649 1.00 0.00 N ATOM 78 CA GLY A 4 -11.829 13.438 -4.715 1.00 0.00 C ATOM 79 C GLY A 4 -11.644 14.112 -6.064 1.00 0.00 C ATOM 80 O GLY A 4 -12.417 14.999 -6.430 1.00 0.00 O ATOM 0 H GLY A 4 -11.685 14.628 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.496 12.402 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.890 13.416 -4.466 1.00 0.00 H new ATOM 84 N GLU A 5 -10.617 13.679 -6.807 1.00 0.00 N ATOM 85 CA GLU A 5 -10.317 14.224 -8.132 1.00 0.00 C ATOM 86 C GLU A 5 -10.314 15.757 -8.127 1.00 0.00 C ATOM 87 O GLU A 5 -11.312 16.389 -8.478 1.00 0.00 O ATOM 88 CB GLU A 5 -11.327 13.688 -9.151 1.00 0.00 C ATOM 89 CG GLU A 5 -10.886 13.848 -10.600 1.00 0.00 C ATOM 90 CD GLU A 5 -11.928 13.354 -11.587 1.00 0.00 C ATOM 91 OE1 GLU A 5 -12.888 14.105 -11.861 1.00 0.00 O ATOM 92 OE2 GLU A 5 -11.782 12.218 -12.085 1.00 0.00 O ATOM 0 H GLU A 5 -9.976 12.945 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.315 13.901 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.505 12.632 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.277 14.203 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.674 14.899 -10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.956 13.301 -10.755 1.00 0.00 H new ATOM 99 N PRO A 6 -9.185 16.380 -7.724 1.00 0.00 N ATOM 100 CA PRO A 6 -9.046 17.839 -7.668 1.00 0.00 C ATOM 101 C PRO A 6 -8.739 18.434 -9.050 1.00 0.00 C ATOM 102 O PRO A 6 -9.118 17.858 -10.072 1.00 0.00 O ATOM 103 CB PRO A 6 -7.863 18.037 -6.689 1.00 0.00 C ATOM 104 CG PRO A 6 -7.536 16.668 -6.179 1.00 0.00 C ATOM 105 CD PRO A 6 -7.941 15.741 -7.280 1.00 0.00 C ATOM 0 HA PRO A 6 -9.958 18.342 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.006 18.483 -7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.136 18.706 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.474 16.574 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.078 16.449 -5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.196 15.689 -8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.101 14.723 -6.926 1.00 0.00 H new ATOM 113 N HIS A 7 -8.054 19.584 -9.084 1.00 0.00 N ATOM 114 CA HIS A 7 -7.702 20.240 -10.350 1.00 0.00 C ATOM 115 C HIS A 7 -6.882 19.306 -11.248 1.00 0.00 C ATOM 116 O HIS A 7 -7.190 19.145 -12.430 1.00 0.00 O ATOM 117 CB HIS A 7 -6.919 21.533 -10.086 1.00 0.00 C ATOM 118 CG HIS A 7 -7.744 22.621 -9.467 1.00 0.00 C ATOM 119 ND1 HIS A 7 -8.533 23.479 -10.203 1.00 0.00 N ATOM 120 CD2 HIS A 7 -7.901 22.986 -8.172 1.00 0.00 C ATOM 121 CE1 HIS A 7 -9.137 24.327 -9.388 1.00 0.00 C ATOM 122 NE2 HIS A 7 -8.772 24.049 -8.151 1.00 0.00 N ATOM 0 H HIS A 7 -7.733 20.079 -8.252 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.630 20.486 -10.867 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.077 21.310 -9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.504 21.894 -11.027 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.430 22.527 -7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.814 25.114 -9.685 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.085 24.543 -7.315 1.00 0.00 H new ATOM 131 N GLU A 8 -5.844 18.686 -10.669 1.00 0.00 N ATOM 132 CA GLU A 8 -4.973 17.754 -11.393 1.00 0.00 C ATOM 133 C GLU A 8 -4.251 18.430 -12.565 1.00 0.00 C ATOM 134 O GLU A 8 -4.587 19.550 -12.955 1.00 0.00 O ATOM 135 CB GLU A 8 -5.778 16.550 -11.896 1.00 0.00 C ATOM 136 CG GLU A 8 -6.525 15.792 -10.801 1.00 0.00 C ATOM 137 CD GLU A 8 -7.548 14.822 -11.359 1.00 0.00 C ATOM 138 OE1 GLU A 8 -7.372 13.600 -11.170 1.00 0.00 O ATOM 139 OE2 GLU A 8 -8.525 15.284 -11.985 1.00 0.00 O ATOM 0 H GLU A 8 -5.587 18.817 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.213 17.413 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.497 16.894 -12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.101 15.861 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.808 15.246 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.025 16.506 -10.146 1.00 0.00 H new ATOM 146 N THR A 9 -3.255 17.732 -13.118 1.00 0.00 N ATOM 147 CA THR A 9 -2.473 18.244 -14.246 1.00 0.00 C ATOM 148 C THR A 9 -1.683 17.117 -14.921 1.00 0.00 C ATOM 149 O THR A 9 -1.730 16.964 -16.143 1.00 0.00 O ATOM 150 CB THR A 9 -1.527 19.368 -13.789 1.00 0.00 C ATOM 151 OG1 THR A 9 -0.549 19.640 -14.780 1.00 0.00 O ATOM 152 CG2 THR A 9 -0.794 19.069 -12.495 1.00 0.00 C ATOM 0 H THR A 9 -2.970 16.806 -12.800 1.00 0.00 H new ATOM 0 HA THR A 9 -3.168 18.657 -14.977 1.00 0.00 H new ATOM 0 HB THR A 9 -2.178 20.227 -13.623 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.205 19.022 -14.674 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.148 19.909 -12.241 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.517 18.912 -11.695 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.190 18.170 -12.619 1.00 0.00 H new ATOM 160 N ASP A 10 -0.970 16.324 -14.115 1.00 0.00 N ATOM 161 CA ASP A 10 -0.179 15.200 -14.624 1.00 0.00 C ATOM 162 C ASP A 10 -0.666 13.894 -14.000 1.00 0.00 C ATOM 163 O ASP A 10 -0.709 13.764 -12.775 1.00 0.00 O ATOM 164 CB ASP A 10 1.310 15.410 -14.319 1.00 0.00 C ATOM 165 CG ASP A 10 1.929 16.503 -15.171 1.00 0.00 C ATOM 166 OD1 ASP A 10 1.912 17.674 -14.738 1.00 0.00 O ATOM 167 OD2 ASP A 10 2.433 16.186 -16.268 1.00 0.00 O ATOM 0 H ASP A 10 -0.925 16.441 -13.103 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.306 15.145 -15.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.430 15.663 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.847 14.476 -14.485 1.00 0.00 H new ATOM 172 N CYS A 11 -1.052 12.936 -14.845 1.00 0.00 N ATOM 173 CA CYS A 11 -1.560 11.647 -14.370 1.00 0.00 C ATOM 174 C CYS A 11 -0.604 10.498 -14.713 1.00 0.00 C ATOM 175 O CYS A 11 0.007 9.911 -13.819 1.00 0.00 O ATOM 176 CB CYS A 11 -2.950 11.378 -14.977 1.00 0.00 C ATOM 177 SG CYS A 11 -4.333 11.423 -13.785 1.00 0.00 S ATOM 0 H CYS A 11 -1.023 13.028 -15.860 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.638 11.697 -13.284 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.138 12.115 -15.757 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.937 10.400 -15.459 1.00 0.00 H new ATOM 182 N SER A 12 -0.493 10.168 -16.006 1.00 0.00 N ATOM 183 CA SER A 12 0.373 9.072 -16.459 1.00 0.00 C ATOM 184 C SER A 12 1.835 9.286 -16.070 1.00 0.00 C ATOM 185 O SER A 12 2.550 8.324 -15.790 1.00 0.00 O ATOM 186 CB SER A 12 0.284 8.895 -17.975 1.00 0.00 C ATOM 187 OG SER A 12 -1.003 8.449 -18.366 1.00 0.00 O ATOM 0 H SER A 12 -0.992 10.644 -16.757 1.00 0.00 H new ATOM 0 HA SER A 12 0.013 8.173 -15.959 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.509 9.841 -18.468 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.036 8.178 -18.304 1.00 0.00 H new ATOM 0 HG SER A 12 -1.032 8.346 -19.340 1.00 0.00 H new ATOM 193 N GLU A 13 2.277 10.542 -16.070 1.00 0.00 N ATOM 194 CA GLU A 13 3.659 10.872 -15.729 1.00 0.00 C ATOM 195 C GLU A 13 4.014 10.406 -14.322 1.00 0.00 C ATOM 196 O GLU A 13 5.051 9.781 -14.116 1.00 0.00 O ATOM 197 CB GLU A 13 3.896 12.375 -15.863 1.00 0.00 C ATOM 198 CG GLU A 13 5.291 12.729 -16.341 1.00 0.00 C ATOM 199 CD GLU A 13 5.491 14.222 -16.516 1.00 0.00 C ATOM 200 OE1 GLU A 13 5.913 14.884 -15.544 1.00 0.00 O ATOM 201 OE2 GLU A 13 5.226 14.731 -17.626 1.00 0.00 O ATOM 0 H GLU A 13 1.697 11.348 -16.303 1.00 0.00 H new ATOM 0 HA GLU A 13 4.308 10.346 -16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.166 12.789 -16.559 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.720 12.850 -14.898 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.022 12.350 -15.626 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.483 12.228 -17.290 1.00 0.00 H new ATOM 208 N ILE A 14 3.131 10.682 -13.368 1.00 0.00 N ATOM 209 CA ILE A 14 3.344 10.257 -11.985 1.00 0.00 C ATOM 210 C ILE A 14 3.482 8.762 -11.949 1.00 0.00 C ATOM 211 O ILE A 14 4.352 8.234 -11.255 1.00 0.00 O ATOM 212 CB ILE A 14 2.195 10.689 -11.043 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.142 12.222 -10.928 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.343 10.026 -9.668 1.00 0.00 C ATOM 215 CD1 ILE A 14 2.688 12.771 -9.625 1.00 0.00 C ATOM 0 H ILE A 14 2.264 11.196 -13.524 1.00 0.00 H new ATOM 0 HA ILE A 14 4.252 10.743 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 14 1.249 10.354 -11.469 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.704 12.656 -11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.108 12.547 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.525 10.343 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.316 8.942 -9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.293 10.321 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.612 13.858 -9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.112 12.370 -8.791 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.733 12.480 -9.517 1.00 0.00 H new ATOM 227 N LEU A 15 2.674 8.072 -12.747 1.00 0.00 N ATOM 228 CA LEU A 15 2.788 6.638 -12.825 1.00 0.00 C ATOM 229 C LEU A 15 4.171 6.350 -13.378 1.00 0.00 C ATOM 230 O LEU A 15 4.954 5.623 -12.765 1.00 0.00 O ATOM 231 CB LEU A 15 1.679 6.035 -13.711 1.00 0.00 C ATOM 232 CG LEU A 15 0.328 6.784 -13.699 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.726 5.993 -14.462 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.151 7.084 -12.274 1.00 0.00 C ATOM 0 H LEU A 15 1.949 8.482 -13.335 1.00 0.00 H new ATOM 0 HA LEU A 15 2.662 6.179 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.042 5.995 -14.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.506 5.007 -13.394 1.00 0.00 H new ATOM 0 HG LEU A 15 0.482 7.741 -14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.672 6.535 -14.444 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.404 5.860 -15.495 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.858 5.017 -13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.104 7.611 -12.314 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.276 6.149 -11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.586 7.705 -11.766 1.00 0.00 H new ATOM 246 N ASP A 16 4.466 6.933 -14.550 1.00 0.00 N ATOM 247 CA ASP A 16 5.761 6.756 -15.205 1.00 0.00 C ATOM 248 C ASP A 16 6.932 6.769 -14.219 1.00 0.00 C ATOM 249 O ASP A 16 7.914 6.059 -14.443 1.00 0.00 O ATOM 250 CB ASP A 16 5.959 7.836 -16.272 1.00 0.00 C ATOM 251 CG ASP A 16 7.050 7.484 -17.267 1.00 0.00 C ATOM 252 OD1 ASP A 16 6.742 6.813 -18.275 1.00 0.00 O ATOM 253 OD2 ASP A 16 8.213 7.881 -17.039 1.00 0.00 O ATOM 0 H ASP A 16 3.819 7.533 -15.061 1.00 0.00 H new ATOM 0 HA ASP A 16 5.751 5.771 -15.671 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.021 7.989 -16.806 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.207 8.780 -15.786 1.00 0.00 H new ATOM 258 N HIS A 17 6.840 7.519 -13.102 1.00 0.00 N ATOM 259 CA HIS A 17 7.921 7.502 -12.125 1.00 0.00 C ATOM 260 C HIS A 17 7.744 6.272 -11.251 1.00 0.00 C ATOM 261 O HIS A 17 8.601 5.395 -11.210 1.00 0.00 O ATOM 262 CB HIS A 17 7.949 8.749 -11.207 1.00 0.00 C ATOM 263 CG HIS A 17 7.337 10.001 -11.758 1.00 0.00 C ATOM 264 ND1 HIS A 17 6.713 10.925 -10.948 1.00 0.00 N ATOM 265 CD2 HIS A 17 7.293 10.515 -13.009 1.00 0.00 C ATOM 266 CE1 HIS A 17 6.317 11.952 -11.670 1.00 0.00 C ATOM 267 NE2 HIS A 17 6.657 11.732 -12.927 1.00 0.00 N ATOM 0 H HIS A 17 6.051 8.122 -12.868 1.00 0.00 H new ATOM 0 HA HIS A 17 8.859 7.494 -12.680 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.437 8.500 -10.278 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.987 8.961 -10.952 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.578 10.828 -9.942 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.684 10.056 -13.905 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.802 12.825 -11.298 1.00 0.00 H new ATOM 276 N LEU A 18 6.607 6.222 -10.553 1.00 0.00 N ATOM 277 CA LEU A 18 6.287 5.107 -9.655 1.00 0.00 C ATOM 278 C LEU A 18 6.675 3.743 -10.231 1.00 0.00 C ATOM 279 O LEU A 18 6.941 2.811 -9.477 1.00 0.00 O ATOM 280 CB LEU A 18 4.788 5.090 -9.325 1.00 0.00 C ATOM 281 CG LEU A 18 4.366 5.938 -8.123 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.337 7.409 -8.502 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.004 5.490 -7.603 1.00 0.00 C ATOM 0 H LEU A 18 5.888 6.945 -10.592 1.00 0.00 H new ATOM 0 HA LEU A 18 6.876 5.273 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.238 5.434 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.486 4.059 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 18 5.097 5.800 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.035 8.001 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.330 7.721 -8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.625 7.562 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.721 6.104 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.259 5.600 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.057 4.445 -7.297 1.00 0.00 H new ATOM 295 N TYR A 19 6.684 3.613 -11.556 1.00 0.00 N ATOM 296 CA TYR A 19 7.022 2.343 -12.186 1.00 0.00 C ATOM 297 C TYR A 19 8.536 2.186 -12.382 1.00 0.00 C ATOM 298 O TYR A 19 9.166 1.358 -11.726 1.00 0.00 O ATOM 299 CB TYR A 19 6.283 2.200 -13.523 1.00 0.00 C ATOM 300 CG TYR A 19 6.116 0.765 -13.960 1.00 0.00 C ATOM 301 CD1 TYR A 19 5.052 -0.017 -13.507 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.038 0.187 -14.820 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.922 -1.334 -13.905 1.00 0.00 C ATOM 304 CE2 TYR A 19 6.913 -1.126 -15.223 1.00 0.00 C ATOM 305 CZ TYR A 19 5.855 -1.885 -14.763 1.00 0.00 C ATOM 306 OH TYR A 19 5.730 -3.196 -15.162 1.00 0.00 O ATOM 0 H TYR A 19 6.463 4.366 -12.208 1.00 0.00 H new ATOM 0 HA TYR A 19 6.700 1.545 -11.517 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.300 2.664 -13.439 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.829 2.746 -14.292 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.322 0.412 -12.837 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.869 0.776 -15.180 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.095 -1.930 -13.547 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.639 -1.559 -15.895 1.00 0.00 H new ATOM 0 HH TYR A 19 6.467 -3.426 -15.765 1.00 0.00 H new ATOM 316 N GLU A 20 9.112 2.971 -13.297 1.00 0.00 N ATOM 317 CA GLU A 20 10.553 2.898 -13.588 1.00 0.00 C ATOM 318 C GLU A 20 11.400 3.372 -12.403 1.00 0.00 C ATOM 319 O GLU A 20 12.520 2.904 -12.198 1.00 0.00 O ATOM 320 CB GLU A 20 10.894 3.741 -14.822 1.00 0.00 C ATOM 321 CG GLU A 20 9.944 3.537 -15.992 1.00 0.00 C ATOM 322 CD GLU A 20 10.420 4.219 -17.261 1.00 0.00 C ATOM 323 OE1 GLU A 20 11.173 3.583 -18.029 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.041 5.386 -17.487 1.00 0.00 O ATOM 0 H GLU A 20 8.607 3.664 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 20 10.788 1.851 -13.780 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.889 4.795 -14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.907 3.502 -15.144 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.830 2.469 -16.180 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.959 3.921 -15.726 1.00 0.00 H new ATOM 331 N PHE A 21 10.857 4.302 -11.630 1.00 0.00 N ATOM 332 CA PHE A 21 11.545 4.854 -10.462 1.00 0.00 C ATOM 333 C PHE A 21 11.629 3.813 -9.350 1.00 0.00 C ATOM 334 O PHE A 21 12.674 3.599 -8.736 1.00 0.00 O ATOM 335 CB PHE A 21 10.775 6.079 -9.937 1.00 0.00 C ATOM 336 CG PHE A 21 11.624 7.095 -9.231 1.00 0.00 C ATOM 337 CD1 PHE A 21 11.398 7.373 -7.899 1.00 0.00 C ATOM 338 CD2 PHE A 21 12.640 7.767 -9.892 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.166 8.304 -7.228 1.00 0.00 C ATOM 340 CE2 PHE A 21 13.414 8.702 -9.229 1.00 0.00 C ATOM 341 CZ PHE A 21 13.177 8.970 -7.895 1.00 0.00 C ATOM 0 H PHE A 21 9.930 4.697 -11.791 1.00 0.00 H new ATOM 0 HA PHE A 21 12.552 5.144 -10.761 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.274 6.563 -10.775 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.997 5.737 -9.254 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.609 6.855 -7.373 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.829 7.559 -10.935 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.977 8.511 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.202 9.222 -9.753 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.780 9.699 -7.374 1.00 0.00 H new ATOM 351 N LEU A 22 10.487 3.205 -9.096 1.00 0.00 N ATOM 352 CA LEU A 22 10.354 2.209 -8.049 1.00 0.00 C ATOM 353 C LEU A 22 10.992 0.870 -8.431 1.00 0.00 C ATOM 354 O LEU A 22 11.703 0.275 -7.620 1.00 0.00 O ATOM 355 CB LEU A 22 8.877 2.040 -7.697 1.00 0.00 C ATOM 356 CG LEU A 22 8.546 1.037 -6.580 1.00 0.00 C ATOM 357 CD1 LEU A 22 9.247 1.401 -5.275 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.036 0.965 -6.377 1.00 0.00 C ATOM 0 H LEU A 22 9.625 3.387 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 22 10.897 2.562 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.482 3.014 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.345 1.735 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 22 8.912 0.057 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.990 0.670 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.326 1.401 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.926 2.392 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.809 0.252 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.659 1.949 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.559 0.642 -7.303 1.00 0.00 H new ATOM 370 N ASP A 23 10.692 0.362 -9.628 1.00 0.00 N ATOM 371 CA ASP A 23 11.196 -0.950 -10.055 1.00 0.00 C ATOM 372 C ASP A 23 12.681 -0.997 -10.442 1.00 0.00 C ATOM 373 O ASP A 23 13.368 -1.954 -10.082 1.00 0.00 O ATOM 374 CB ASP A 23 10.371 -1.460 -11.244 1.00 0.00 C ATOM 375 CG ASP A 23 10.146 -2.961 -11.202 1.00 0.00 C ATOM 376 OD1 ASP A 23 10.431 -3.632 -12.216 1.00 0.00 O ATOM 377 OD2 ASP A 23 9.686 -3.465 -10.156 1.00 0.00 O ATOM 0 H ASP A 23 10.106 0.834 -10.317 1.00 0.00 H new ATOM 0 HA ASP A 23 11.093 -1.584 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.406 -0.953 -11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.880 -1.199 -12.172 1.00 0.00 H new ATOM 382 N LYS A 24 13.164 -0.029 -11.227 1.00 0.00 N ATOM 383 CA LYS A 24 14.558 -0.086 -11.694 1.00 0.00 C ATOM 384 C LYS A 24 15.472 1.008 -11.150 1.00 0.00 C ATOM 385 O LYS A 24 16.656 0.754 -10.915 1.00 0.00 O ATOM 386 CB LYS A 24 14.613 -0.078 -13.229 1.00 0.00 C ATOM 387 CG LYS A 24 13.389 0.517 -13.925 1.00 0.00 C ATOM 388 CD LYS A 24 12.378 -0.557 -14.316 1.00 0.00 C ATOM 389 CE LYS A 24 12.841 -1.354 -15.529 1.00 0.00 C ATOM 390 NZ LYS A 24 11.784 -2.279 -16.027 1.00 0.00 N ATOM 0 H LYS A 24 12.632 0.781 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 24 14.943 -1.024 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.495 0.481 -13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.745 -1.103 -13.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.912 1.241 -13.264 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.706 1.059 -14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.222 -1.233 -13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.417 -0.090 -14.533 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.127 -0.668 -16.326 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.731 -1.927 -15.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.141 -2.801 -16.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.529 -2.951 -15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.944 -1.731 -16.301 1.00 0.00 H new ATOM 404 N GLU A 25 14.959 2.215 -10.972 1.00 0.00 N ATOM 405 CA GLU A 25 15.789 3.319 -10.478 1.00 0.00 C ATOM 406 C GLU A 25 16.469 2.964 -9.149 1.00 0.00 C ATOM 407 O GLU A 25 17.697 2.935 -9.072 1.00 0.00 O ATOM 408 CB GLU A 25 14.966 4.603 -10.336 1.00 0.00 C ATOM 409 CG GLU A 25 15.795 5.875 -10.423 1.00 0.00 C ATOM 410 CD GLU A 25 16.024 6.335 -11.852 1.00 0.00 C ATOM 411 OE1 GLU A 25 17.022 5.901 -12.464 1.00 0.00 O ATOM 412 OE2 GLU A 25 15.202 7.129 -12.358 1.00 0.00 O ATOM 0 H GLU A 25 13.986 2.460 -11.157 1.00 0.00 H new ATOM 0 HA GLU A 25 16.572 3.492 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.204 4.623 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.444 4.585 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.294 6.668 -9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.759 5.708 -9.942 1.00 0.00 H new ATOM 419 N MET A 26 15.668 2.690 -8.113 1.00 0.00 N ATOM 420 CA MET A 26 16.198 2.331 -6.790 1.00 0.00 C ATOM 421 C MET A 26 15.052 2.095 -5.797 1.00 0.00 C ATOM 422 O MET A 26 14.611 3.022 -5.121 1.00 0.00 O ATOM 423 CB MET A 26 17.140 3.430 -6.263 1.00 0.00 C ATOM 424 CG MET A 26 18.615 3.043 -6.296 1.00 0.00 C ATOM 425 SD MET A 26 19.705 4.448 -6.609 1.00 0.00 S ATOM 426 CE MET A 26 21.306 3.647 -6.589 1.00 0.00 C ATOM 0 H MET A 26 14.649 2.710 -8.164 1.00 0.00 H new ATOM 0 HA MET A 26 16.768 1.407 -6.892 1.00 0.00 H new ATOM 0 HB2 MET A 26 16.997 4.333 -6.856 1.00 0.00 H new ATOM 0 HB3 MET A 26 16.861 3.674 -5.238 1.00 0.00 H new ATOM 0 HG2 MET A 26 18.886 2.584 -5.345 1.00 0.00 H new ATOM 0 HG3 MET A 26 18.770 2.290 -7.069 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.086 4.387 -6.769 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.467 3.179 -5.618 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.342 2.886 -7.369 1.00 0.00 H new ATOM 436 N PRO A 27 14.547 0.847 -5.709 1.00 0.00 N ATOM 437 CA PRO A 27 13.436 0.488 -4.809 1.00 0.00 C ATOM 438 C PRO A 27 13.542 1.101 -3.405 1.00 0.00 C ATOM 439 O PRO A 27 12.612 1.770 -2.949 1.00 0.00 O ATOM 440 CB PRO A 27 13.534 -1.036 -4.746 1.00 0.00 C ATOM 441 CG PRO A 27 14.079 -1.429 -6.074 1.00 0.00 C ATOM 442 CD PRO A 27 15.008 -0.319 -6.495 1.00 0.00 C ATOM 0 HA PRO A 27 12.484 0.868 -5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.189 -1.359 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.559 -1.489 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.611 -2.378 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.277 -1.561 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.047 -0.563 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.944 -0.129 -7.566 1.00 0.00 H new ATOM 450 N ASP A 28 14.662 0.859 -2.719 1.00 0.00 N ATOM 451 CA ASP A 28 14.862 1.382 -1.359 1.00 0.00 C ATOM 452 C ASP A 28 15.500 2.772 -1.359 1.00 0.00 C ATOM 453 O ASP A 28 15.195 3.591 -0.491 1.00 0.00 O ATOM 454 CB ASP A 28 15.715 0.409 -0.530 1.00 0.00 C ATOM 455 CG ASP A 28 17.074 0.134 -1.151 1.00 0.00 C ATOM 456 OD1 ASP A 28 17.173 -0.803 -1.971 1.00 0.00 O ATOM 457 OD2 ASP A 28 18.037 0.856 -0.817 1.00 0.00 O ATOM 0 H ASP A 28 15.442 0.308 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 28 13.876 1.476 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.855 0.819 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.176 -0.532 -0.417 1.00 0.00 H new ATOM 462 N SER A 29 16.380 3.039 -2.324 1.00 0.00 N ATOM 463 CA SER A 29 17.046 4.339 -2.410 1.00 0.00 C ATOM 464 C SER A 29 16.198 5.343 -3.201 1.00 0.00 C ATOM 465 O SER A 29 16.712 6.070 -4.055 1.00 0.00 O ATOM 466 CB SER A 29 18.436 4.186 -3.039 1.00 0.00 C ATOM 467 OG SER A 29 19.449 4.620 -2.147 1.00 0.00 O ATOM 0 H SER A 29 16.647 2.377 -3.053 1.00 0.00 H new ATOM 0 HA SER A 29 17.164 4.728 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.605 3.143 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.487 4.764 -3.962 1.00 0.00 H new ATOM 0 HG SER A 29 20.326 4.511 -2.570 1.00 0.00 H new ATOM 473 N ASP A 30 14.894 5.382 -2.906 1.00 0.00 N ATOM 474 CA ASP A 30 13.980 6.299 -3.586 1.00 0.00 C ATOM 475 C ASP A 30 12.912 6.868 -2.647 1.00 0.00 C ATOM 476 O ASP A 30 12.231 7.821 -3.017 1.00 0.00 O ATOM 477 CB ASP A 30 13.304 5.610 -4.778 1.00 0.00 C ATOM 478 CG ASP A 30 14.104 5.745 -6.064 1.00 0.00 C ATOM 479 OD1 ASP A 30 14.796 6.773 -6.232 1.00 0.00 O ATOM 480 OD2 ASP A 30 14.034 4.826 -6.905 1.00 0.00 O ATOM 0 H ASP A 30 14.451 4.790 -2.203 1.00 0.00 H new ATOM 0 HA ASP A 30 14.586 7.132 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.165 4.553 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.312 6.038 -4.925 1.00 0.00 H new ATOM 485 N ALA A 31 12.754 6.303 -1.439 1.00 0.00 N ATOM 486 CA ALA A 31 11.751 6.808 -0.501 1.00 0.00 C ATOM 487 C ALA A 31 11.934 8.305 -0.229 1.00 0.00 C ATOM 488 O ALA A 31 10.959 9.056 -0.196 1.00 0.00 O ATOM 489 CB ALA A 31 11.785 6.019 0.795 1.00 0.00 C ATOM 0 H ALA A 31 13.299 5.511 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 31 10.773 6.676 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.032 6.410 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.577 4.969 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.771 6.110 1.251 1.00 0.00 H new ATOM 495 N VAL A 32 13.185 8.740 -0.049 1.00 0.00 N ATOM 496 CA VAL A 32 13.475 10.153 0.202 1.00 0.00 C ATOM 497 C VAL A 32 13.236 10.988 -1.054 1.00 0.00 C ATOM 498 O VAL A 32 12.879 12.164 -0.965 1.00 0.00 O ATOM 499 CB VAL A 32 14.920 10.368 0.702 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.160 11.829 1.073 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.228 9.453 1.883 1.00 0.00 C ATOM 0 H VAL A 32 14.008 8.137 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 32 12.794 10.480 0.987 1.00 0.00 H new ATOM 0 HB VAL A 32 15.597 10.112 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.185 11.952 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 32 14.996 12.458 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.470 12.122 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.251 9.623 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.539 9.668 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.114 8.413 1.577 1.00 0.00 H new ATOM 511 N LYS A 33 13.391 10.363 -2.222 1.00 0.00 N ATOM 512 CA LYS A 33 13.150 11.036 -3.493 1.00 0.00 C ATOM 513 C LYS A 33 11.676 10.900 -3.870 1.00 0.00 C ATOM 514 O LYS A 33 11.165 11.639 -4.709 1.00 0.00 O ATOM 515 CB LYS A 33 14.037 10.445 -4.598 1.00 0.00 C ATOM 516 CG LYS A 33 15.517 10.370 -4.232 1.00 0.00 C ATOM 517 CD LYS A 33 16.151 11.754 -4.151 1.00 0.00 C ATOM 518 CE LYS A 33 17.649 11.671 -3.898 1.00 0.00 C ATOM 519 NZ LYS A 33 18.277 13.020 -3.818 1.00 0.00 N ATOM 0 H LYS A 33 13.683 9.390 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 33 13.400 12.091 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.681 9.443 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.926 11.047 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.629 9.862 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.045 9.771 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.968 12.293 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.678 12.325 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.830 11.131 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.120 11.098 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.297 12.918 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.127 13.527 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.846 13.558 -3.039 1.00 0.00 H new ATOM 533 N PHE A 34 11.000 9.943 -3.222 1.00 0.00 N ATOM 534 CA PHE A 34 9.583 9.679 -3.454 1.00 0.00 C ATOM 535 C PHE A 34 8.698 10.799 -2.901 1.00 0.00 C ATOM 536 O PHE A 34 7.492 10.772 -3.098 1.00 0.00 O ATOM 537 CB PHE A 34 9.175 8.344 -2.793 1.00 0.00 C ATOM 538 CG PHE A 34 9.248 7.128 -3.683 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.417 5.869 -3.126 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.114 7.227 -5.059 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.452 4.742 -3.919 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.149 6.102 -5.855 1.00 0.00 C ATOM 543 CZ PHE A 34 9.317 4.860 -5.286 1.00 0.00 C ATOM 0 H PHE A 34 11.424 9.333 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 34 9.437 9.624 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.815 8.177 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.155 8.440 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.523 5.770 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.980 8.198 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.585 3.769 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.045 6.195 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.343 3.979 -5.910 1.00 0.00 H new ATOM 553 N GLU A 35 9.280 11.779 -2.204 1.00 0.00 N ATOM 554 CA GLU A 35 8.485 12.878 -1.647 1.00 0.00 C ATOM 555 C GLU A 35 8.551 14.138 -2.527 1.00 0.00 C ATOM 556 O GLU A 35 8.066 15.200 -2.130 1.00 0.00 O ATOM 557 CB GLU A 35 8.954 13.203 -0.220 1.00 0.00 C ATOM 558 CG GLU A 35 7.866 13.054 0.835 1.00 0.00 C ATOM 559 CD GLU A 35 6.868 14.198 0.819 1.00 0.00 C ATOM 560 OE1 GLU A 35 5.850 14.087 0.103 1.00 0.00 O ATOM 561 OE2 GLU A 35 7.105 15.203 1.522 1.00 0.00 O ATOM 0 H GLU A 35 10.281 11.835 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 35 7.446 12.550 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.787 12.549 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.332 14.225 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.337 12.115 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.328 12.995 1.821 1.00 0.00 H new ATOM 568 N HIS A 36 9.140 14.017 -3.724 1.00 0.00 N ATOM 569 CA HIS A 36 9.253 15.148 -4.653 1.00 0.00 C ATOM 570 C HIS A 36 8.352 14.939 -5.869 1.00 0.00 C ATOM 571 O HIS A 36 7.551 15.806 -6.221 1.00 0.00 O ATOM 572 CB HIS A 36 10.702 15.324 -5.123 1.00 0.00 C ATOM 573 CG HIS A 36 11.721 15.201 -4.040 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.691 14.285 -3.864 1.00 0.00 N flip ATOM 575 CD2 HIS A 36 11.827 16.084 -2.987 1.00 0.00 C flip ATOM 576 CE1 HIS A 36 13.368 14.621 -2.717 1.00 0.00 C flip ATOM 577 NE2 HIS A 36 12.827 15.713 -2.206 1.00 0.00 N flip ATOM 0 H HIS A 36 9.545 13.148 -4.071 1.00 0.00 H new ATOM 0 HA HIS A 36 8.938 16.046 -4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.915 14.581 -5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.803 16.303 -5.591 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.193 16.943 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.206 14.081 -2.301 1.00 0.00 H new ATOM 0 HE2 HIS A 36 13.129 16.188 -1.355 1.00 0.00 H new ATOM 586 N HIS A 37 8.495 13.773 -6.502 1.00 0.00 N ATOM 587 CA HIS A 37 7.705 13.415 -7.684 1.00 0.00 C ATOM 588 C HIS A 37 6.281 13.043 -7.287 1.00 0.00 C ATOM 589 O HIS A 37 5.361 13.073 -8.106 1.00 0.00 O ATOM 590 CB HIS A 37 8.340 12.228 -8.411 1.00 0.00 C ATOM 591 CG HIS A 37 9.811 12.228 -8.345 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.640 11.616 -7.483 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.594 12.941 -9.209 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.915 11.968 -7.836 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.850 12.772 -8.884 1.00 0.00 N flip ATOM 0 H HIS A 37 9.157 13.053 -6.213 1.00 0.00 H new ATOM 0 HA HIS A 37 7.683 14.282 -8.345 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.963 11.301 -7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.029 12.241 -9.456 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.371 11.005 -6.712 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.234 13.546 -10.028 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.820 11.644 -7.343 1.00 0.00 H new ATOM 604 N PHE A 38 6.126 12.662 -6.023 1.00 0.00 N ATOM 605 CA PHE A 38 4.842 12.241 -5.480 1.00 0.00 C ATOM 606 C PHE A 38 3.993 13.439 -5.034 1.00 0.00 C ATOM 607 O PHE A 38 2.768 13.338 -4.952 1.00 0.00 O ATOM 608 CB PHE A 38 5.104 11.273 -4.312 1.00 0.00 C ATOM 609 CG PHE A 38 5.587 9.897 -4.748 1.00 0.00 C ATOM 610 CD1 PHE A 38 6.010 9.666 -6.063 1.00 0.00 C ATOM 611 CD2 PHE A 38 5.591 8.820 -3.857 1.00 0.00 C ATOM 612 CE1 PHE A 38 6.412 8.410 -6.466 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.005 7.569 -4.264 1.00 0.00 C ATOM 614 CZ PHE A 38 6.409 7.363 -5.568 1.00 0.00 C ATOM 0 H PHE A 38 6.889 12.637 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 38 4.269 11.735 -6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.847 11.714 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.187 11.159 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.021 10.482 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.266 8.969 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.729 8.246 -7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.013 6.749 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.723 6.380 -5.886 1.00 0.00 H new ATOM 624 N GLU A 39 4.649 14.567 -4.744 1.00 0.00 N ATOM 625 CA GLU A 39 3.952 15.781 -4.304 1.00 0.00 C ATOM 626 C GLU A 39 3.559 16.696 -5.476 1.00 0.00 C ATOM 627 O GLU A 39 2.573 17.427 -5.383 1.00 0.00 O ATOM 628 CB GLU A 39 4.827 16.556 -3.312 1.00 0.00 C ATOM 629 CG GLU A 39 4.046 17.510 -2.418 1.00 0.00 C ATOM 630 CD GLU A 39 4.931 18.247 -1.431 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.125 17.732 -0.309 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.430 19.337 -1.779 1.00 0.00 O ATOM 0 H GLU A 39 5.662 14.665 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 39 3.029 15.462 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.366 15.845 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.574 17.123 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.520 18.235 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.288 16.950 -1.871 1.00 0.00 H new ATOM 639 N GLU A 40 4.348 16.681 -6.561 1.00 0.00 N ATOM 640 CA GLU A 40 4.082 17.545 -7.724 1.00 0.00 C ATOM 641 C GLU A 40 2.654 17.390 -8.266 1.00 0.00 C ATOM 642 O GLU A 40 1.957 18.388 -8.457 1.00 0.00 O ATOM 643 CB GLU A 40 5.115 17.309 -8.841 1.00 0.00 C ATOM 644 CG GLU A 40 5.178 15.886 -9.360 1.00 0.00 C ATOM 645 CD GLU A 40 6.267 15.687 -10.397 1.00 0.00 C ATOM 646 OE1 GLU A 40 7.451 15.909 -10.067 1.00 0.00 O ATOM 647 OE2 GLU A 40 5.935 15.311 -11.542 1.00 0.00 O ATOM 0 H GLU A 40 5.170 16.085 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 40 4.178 18.572 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.887 17.974 -9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.101 17.589 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.349 15.207 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.215 15.620 -9.795 1.00 0.00 H new ATOM 654 N SER A 41 2.215 16.150 -8.509 1.00 0.00 N ATOM 655 CA SER A 41 0.862 15.907 -9.022 1.00 0.00 C ATOM 656 C SER A 41 0.109 14.917 -8.140 1.00 0.00 C ATOM 657 O SER A 41 -0.286 13.838 -8.588 1.00 0.00 O ATOM 658 CB SER A 41 0.891 15.404 -10.470 1.00 0.00 C ATOM 659 OG SER A 41 2.209 15.383 -10.991 1.00 0.00 O ATOM 0 H SER A 41 2.770 15.307 -8.361 1.00 0.00 H new ATOM 0 HA SER A 41 0.336 16.862 -9.003 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.466 14.401 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.264 16.045 -11.091 1.00 0.00 H new ATOM 0 HG SER A 41 2.407 16.244 -11.416 1.00 0.00 H new ATOM 665 N SER A 42 -0.104 15.299 -6.884 1.00 0.00 N ATOM 666 CA SER A 42 -0.827 14.454 -5.943 1.00 0.00 C ATOM 667 C SER A 42 -2.307 14.299 -6.341 1.00 0.00 C ATOM 668 O SER A 42 -2.897 13.247 -6.112 1.00 0.00 O ATOM 669 CB SER A 42 -0.719 15.015 -4.519 1.00 0.00 C ATOM 670 OG SER A 42 -0.793 16.430 -4.513 1.00 0.00 O ATOM 0 H SER A 42 0.214 16.187 -6.496 1.00 0.00 H new ATOM 0 HA SER A 42 -0.366 13.466 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.519 14.605 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.223 14.697 -4.071 1.00 0.00 H new ATOM 0 HG SER A 42 -0.723 16.757 -3.592 1.00 0.00 H new ATOM 676 N PRO A 43 -2.937 15.352 -6.922 1.00 0.00 N ATOM 677 CA PRO A 43 -4.364 15.327 -7.320 1.00 0.00 C ATOM 678 C PRO A 43 -4.761 14.241 -8.340 1.00 0.00 C ATOM 679 O PRO A 43 -5.951 13.954 -8.484 1.00 0.00 O ATOM 680 CB PRO A 43 -4.579 16.711 -7.945 1.00 0.00 C ATOM 681 CG PRO A 43 -3.530 17.563 -7.335 1.00 0.00 C ATOM 682 CD PRO A 43 -2.335 16.674 -7.204 1.00 0.00 C ATOM 0 HA PRO A 43 -4.978 15.094 -6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.480 16.676 -9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.576 17.094 -7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.311 18.428 -7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.847 17.944 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.739 16.660 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.676 16.998 -6.398 1.00 0.00 H new ATOM 690 N CYS A 44 -3.800 13.629 -9.042 1.00 0.00 N ATOM 691 CA CYS A 44 -4.136 12.586 -10.029 1.00 0.00 C ATOM 692 C CYS A 44 -4.008 11.209 -9.424 1.00 0.00 C ATOM 693 O CYS A 44 -4.902 10.373 -9.563 1.00 0.00 O ATOM 694 CB CYS A 44 -3.230 12.673 -11.266 1.00 0.00 C ATOM 695 SG CYS A 44 -4.089 13.177 -12.791 1.00 0.00 S ATOM 0 H CYS A 44 -2.804 13.829 -8.952 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.169 12.756 -10.332 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.427 13.382 -11.064 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.764 11.701 -11.430 1.00 0.00 H new ATOM 700 N LEU A 45 -2.908 10.989 -8.728 1.00 0.00 N ATOM 701 CA LEU A 45 -2.691 9.720 -8.073 1.00 0.00 C ATOM 702 C LEU A 45 -3.548 9.669 -6.810 1.00 0.00 C ATOM 703 O LEU A 45 -3.660 8.627 -6.165 1.00 0.00 O ATOM 704 CB LEU A 45 -1.189 9.511 -7.781 1.00 0.00 C ATOM 705 CG LEU A 45 -0.721 9.730 -6.335 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.759 9.391 -6.200 1.00 0.00 C ATOM 707 CD2 LEU A 45 -0.982 11.154 -5.883 1.00 0.00 C ATOM 0 H LEU A 45 -2.158 11.669 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.993 8.899 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.926 8.494 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.622 10.183 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.295 9.064 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.076 9.551 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.919 8.348 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.341 10.032 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.640 11.278 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.444 11.846 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.050 11.363 -5.937 1.00 0.00 H new ATOM 719 N GLU A 46 -4.141 10.826 -6.451 1.00 0.00 N ATOM 720 CA GLU A 46 -4.962 10.920 -5.257 1.00 0.00 C ATOM 721 C GLU A 46 -6.136 9.952 -5.278 1.00 0.00 C ATOM 722 O GLU A 46 -6.247 9.125 -4.371 1.00 0.00 O ATOM 723 CB GLU A 46 -5.457 12.354 -5.026 1.00 0.00 C ATOM 724 CG GLU A 46 -5.239 12.827 -3.599 1.00 0.00 C ATOM 725 CD GLU A 46 -4.978 14.319 -3.501 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.882 15.105 -3.855 1.00 0.00 O ATOM 727 OE2 GLU A 46 -3.870 14.701 -3.070 1.00 0.00 O ATOM 0 H GLU A 46 -4.059 11.696 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.319 10.636 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.940 13.027 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.519 12.410 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.116 12.577 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.396 12.287 -3.168 1.00 0.00 H new ATOM 734 N LYS A 47 -7.051 10.058 -6.257 1.00 0.00 N ATOM 735 CA LYS A 47 -8.238 9.181 -6.286 1.00 0.00 C ATOM 736 C LYS A 47 -7.900 7.709 -6.106 1.00 0.00 C ATOM 737 O LYS A 47 -8.410 7.056 -5.194 1.00 0.00 O ATOM 738 CB LYS A 47 -9.015 9.355 -7.603 1.00 0.00 C ATOM 739 CG LYS A 47 -9.261 10.805 -8.007 1.00 0.00 C ATOM 740 CD LYS A 47 -8.526 11.163 -9.294 1.00 0.00 C ATOM 741 CE LYS A 47 -9.225 10.596 -10.524 1.00 0.00 C ATOM 742 NZ LYS A 47 -8.517 10.955 -11.785 1.00 0.00 N ATOM 0 H LYS A 47 -6.996 10.727 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.853 9.488 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.466 8.857 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.976 8.849 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.330 10.969 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.934 11.467 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.457 12.247 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.506 10.781 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.285 9.511 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.248 10.970 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.200 10.990 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.066 11.886 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.790 10.240 -11.991 1.00 0.00 H new ATOM 756 N TYR A 48 -7.070 7.189 -7.004 1.00 0.00 N ATOM 757 CA TYR A 48 -6.683 5.784 -6.983 1.00 0.00 C ATOM 758 C TYR A 48 -6.201 5.358 -5.596 1.00 0.00 C ATOM 759 O TYR A 48 -6.087 4.167 -5.309 1.00 0.00 O ATOM 760 CB TYR A 48 -5.617 5.521 -8.049 1.00 0.00 C ATOM 761 CG TYR A 48 -6.023 6.010 -9.429 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.812 7.331 -9.810 1.00 0.00 C ATOM 763 CD2 TYR A 48 -6.625 5.153 -10.344 1.00 0.00 C ATOM 764 CE1 TYR A 48 -6.187 7.783 -11.062 1.00 0.00 C ATOM 765 CE2 TYR A 48 -7.001 5.598 -11.598 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.780 6.912 -11.952 1.00 0.00 C ATOM 767 OH TYR A 48 -7.153 7.358 -13.200 1.00 0.00 O ATOM 0 H TYR A 48 -6.649 7.726 -7.762 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.561 5.180 -7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.689 6.011 -7.755 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.413 4.451 -8.094 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.347 8.016 -9.116 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.802 4.123 -10.071 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.016 8.812 -11.341 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.466 4.919 -12.297 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.555 6.620 -13.704 1.00 0.00 H new ATOM 777 N GLY A 49 -5.927 6.341 -4.735 1.00 0.00 N ATOM 778 CA GLY A 49 -5.473 6.051 -3.397 1.00 0.00 C ATOM 779 C GLY A 49 -4.001 5.768 -3.364 1.00 0.00 C ATOM 780 O GLY A 49 -3.506 5.077 -2.472 1.00 0.00 O ATOM 0 H GLY A 49 -6.015 7.334 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.697 6.895 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.018 5.192 -3.005 1.00 0.00 H new ATOM 784 N LEU A 50 -3.301 6.319 -4.347 1.00 0.00 N ATOM 785 CA LEU A 50 -1.865 6.142 -4.439 1.00 0.00 C ATOM 786 C LEU A 50 -1.172 6.964 -3.361 1.00 0.00 C ATOM 787 O LEU A 50 -0.258 6.468 -2.720 1.00 0.00 O ATOM 788 CB LEU A 50 -1.350 6.513 -5.833 1.00 0.00 C ATOM 789 CG LEU A 50 -0.742 5.366 -6.657 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.580 4.090 -6.567 1.00 0.00 C ATOM 791 CD2 LEU A 50 -0.592 5.809 -8.102 1.00 0.00 C ATOM 0 H LEU A 50 -3.707 6.890 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.633 5.089 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.175 6.943 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.597 7.294 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 50 0.238 5.130 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.114 3.306 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.641 3.767 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.583 4.286 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.161 4.998 -8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.570 6.069 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.063 6.679 -8.150 1.00 0.00 H new ATOM 803 N GLU A 51 -1.625 8.211 -3.128 1.00 0.00 N ATOM 804 CA GLU A 51 -1.025 9.036 -2.072 1.00 0.00 C ATOM 805 C GLU A 51 -0.957 8.217 -0.784 1.00 0.00 C ATOM 806 O GLU A 51 0.114 7.946 -0.252 1.00 0.00 O ATOM 807 CB GLU A 51 -1.852 10.310 -1.838 1.00 0.00 C ATOM 808 CG GLU A 51 -1.421 11.491 -2.691 1.00 0.00 C ATOM 809 CD GLU A 51 -1.164 12.746 -1.875 1.00 0.00 C ATOM 810 OE1 GLU A 51 0.004 13.184 -1.814 1.00 0.00 O ATOM 811 OE2 GLU A 51 -2.129 13.289 -1.299 1.00 0.00 O ATOM 0 H GLU A 51 -2.384 8.657 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.023 9.335 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.901 10.092 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.781 10.589 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.516 11.227 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.192 11.698 -3.433 1.00 0.00 H new ATOM 818 N GLN A 52 -2.132 7.807 -0.327 1.00 0.00 N ATOM 819 CA GLN A 52 -2.271 6.989 0.879 1.00 0.00 C ATOM 820 C GLN A 52 -1.325 5.791 0.832 1.00 0.00 C ATOM 821 O GLN A 52 -0.833 5.344 1.864 1.00 0.00 O ATOM 822 CB GLN A 52 -3.715 6.492 1.052 1.00 0.00 C ATOM 823 CG GLN A 52 -4.776 7.452 0.536 1.00 0.00 C ATOM 824 CD GLN A 52 -5.873 7.724 1.551 1.00 0.00 C ATOM 825 OE1 GLN A 52 -5.806 8.695 2.306 1.00 0.00 O ATOM 826 NE2 GLN A 52 -6.889 6.868 1.577 1.00 0.00 N ATOM 0 H GLN A 52 -3.019 8.030 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.013 7.619 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.823 5.539 0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.897 6.303 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.302 8.394 0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.221 7.041 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.906 6.076 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.652 7.003 2.240 1.00 0.00 H new ATOM 835 N ALA A 53 -1.075 5.279 -0.374 1.00 0.00 N ATOM 836 CA ALA A 53 -0.179 4.134 -0.547 1.00 0.00 C ATOM 837 C ALA A 53 1.282 4.576 -0.666 1.00 0.00 C ATOM 838 O ALA A 53 2.140 4.086 0.067 1.00 0.00 O ATOM 839 CB ALA A 53 -0.579 3.296 -1.753 1.00 0.00 C ATOM 0 H ALA A 53 -1.477 5.636 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.273 3.516 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.106 2.454 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.594 2.924 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.535 3.909 -2.653 1.00 0.00 H new ATOM 845 N VAL A 54 1.572 5.491 -1.598 1.00 0.00 N ATOM 846 CA VAL A 54 2.937 5.979 -1.803 1.00 0.00 C ATOM 847 C VAL A 54 3.505 6.624 -0.544 1.00 0.00 C ATOM 848 O VAL A 54 4.683 6.445 -0.241 1.00 0.00 O ATOM 849 CB VAL A 54 3.050 6.949 -3.000 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.924 6.181 -4.305 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.023 8.071 -2.939 1.00 0.00 C ATOM 0 H VAL A 54 0.879 5.907 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 54 3.534 5.098 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 54 4.033 7.418 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.005 6.873 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.720 5.439 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.957 5.680 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.146 8.724 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.019 7.646 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.168 8.647 -2.025 1.00 0.00 H new ATOM 861 N LYS A 55 2.666 7.339 0.215 1.00 0.00 N ATOM 862 CA LYS A 55 3.120 7.951 1.469 1.00 0.00 C ATOM 863 C LYS A 55 3.783 6.867 2.321 1.00 0.00 C ATOM 864 O LYS A 55 4.796 7.090 2.986 1.00 0.00 O ATOM 865 CB LYS A 55 1.939 8.561 2.233 1.00 0.00 C ATOM 866 CG LYS A 55 1.180 9.629 1.456 1.00 0.00 C ATOM 867 CD LYS A 55 1.595 11.035 1.868 1.00 0.00 C ATOM 868 CE LYS A 55 0.524 12.062 1.528 1.00 0.00 C ATOM 869 NZ LYS A 55 0.940 13.443 1.899 1.00 0.00 N ATOM 0 H LYS A 55 1.686 7.506 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 55 3.829 8.749 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.247 7.765 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.307 8.996 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.358 9.496 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.109 9.504 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.792 11.057 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.526 11.301 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.309 12.022 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.400 11.809 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.183 14.112 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.121 13.488 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.807 13.695 1.383 1.00 0.00 H new ATOM 883 N LYS A 56 3.173 5.683 2.255 1.00 0.00 N ATOM 884 CA LYS A 56 3.653 4.515 2.978 1.00 0.00 C ATOM 885 C LYS A 56 4.997 4.063 2.409 1.00 0.00 C ATOM 886 O LYS A 56 5.867 3.609 3.153 1.00 0.00 O ATOM 887 CB LYS A 56 2.631 3.381 2.968 1.00 0.00 C ATOM 888 CG LYS A 56 1.586 3.510 4.069 1.00 0.00 C ATOM 889 CD LYS A 56 0.819 4.822 3.952 1.00 0.00 C ATOM 890 CE LYS A 56 1.199 5.826 5.033 1.00 0.00 C ATOM 891 NZ LYS A 56 0.397 5.641 6.276 1.00 0.00 N ATOM 0 H LYS A 56 2.335 5.512 1.699 1.00 0.00 H new ATOM 0 HA LYS A 56 3.796 4.796 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.130 3.360 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.151 2.430 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.890 2.673 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.072 3.456 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.007 5.261 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.250 4.619 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.259 5.723 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.053 6.838 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.688 6.344 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.613 5.765 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.555 4.684 6.652 1.00 0.00 H new ATOM 905 N LEU A 57 5.181 4.217 1.086 1.00 0.00 N ATOM 906 CA LEU A 57 6.443 3.856 0.434 1.00 0.00 C ATOM 907 C LEU A 57 7.549 4.794 0.878 1.00 0.00 C ATOM 908 O LEU A 57 8.670 4.366 1.153 1.00 0.00 O ATOM 909 CB LEU A 57 6.321 3.927 -1.089 1.00 0.00 C ATOM 910 CG LEU A 57 5.232 3.053 -1.713 1.00 0.00 C ATOM 911 CD1 LEU A 57 5.570 2.754 -3.168 1.00 0.00 C ATOM 912 CD2 LEU A 57 5.041 1.757 -0.937 1.00 0.00 C ATOM 0 H LEU A 57 4.472 4.588 0.453 1.00 0.00 H new ATOM 0 HA LEU A 57 6.681 2.832 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.134 4.963 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.280 3.646 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 57 4.293 3.606 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.788 2.131 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.641 3.689 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.523 2.228 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.260 1.162 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.974 1.194 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.752 1.986 0.089 1.00 0.00 H new ATOM 924 N VAL A 58 7.216 6.081 0.955 1.00 0.00 N ATOM 925 CA VAL A 58 8.186 7.094 1.387 1.00 0.00 C ATOM 926 C VAL A 58 8.755 6.716 2.754 1.00 0.00 C ATOM 927 O VAL A 58 9.949 6.859 3.016 1.00 0.00 O ATOM 928 CB VAL A 58 7.554 8.506 1.494 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.631 9.582 1.616 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.642 8.788 0.314 1.00 0.00 C ATOM 0 H VAL A 58 6.292 6.448 0.727 1.00 0.00 H new ATOM 0 HA VAL A 58 8.972 7.125 0.632 1.00 0.00 H new ATOM 0 HB VAL A 58 6.949 8.530 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.160 10.562 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.229 9.399 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.275 9.554 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.213 9.785 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.216 8.733 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.841 8.049 0.289 1.00 0.00 H new ATOM 940 N LYS A 59 7.860 6.238 3.614 1.00 0.00 N ATOM 941 CA LYS A 59 8.191 5.827 4.963 1.00 0.00 C ATOM 942 C LYS A 59 9.216 4.686 4.975 1.00 0.00 C ATOM 943 O LYS A 59 10.012 4.566 5.909 1.00 0.00 O ATOM 944 CB LYS A 59 6.898 5.392 5.661 1.00 0.00 C ATOM 945 CG LYS A 59 7.102 4.518 6.893 1.00 0.00 C ATOM 946 CD LYS A 59 6.944 3.038 6.564 1.00 0.00 C ATOM 947 CE LYS A 59 5.481 2.609 6.523 1.00 0.00 C ATOM 948 NZ LYS A 59 4.742 2.989 7.763 1.00 0.00 N ATOM 0 H LYS A 59 6.873 6.126 3.384 1.00 0.00 H new ATOM 0 HA LYS A 59 8.646 6.665 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.341 6.283 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.280 4.849 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.095 4.696 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.383 4.799 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.409 2.830 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.474 2.444 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.996 3.065 5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.425 1.529 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.087 2.225 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.419 3.144 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.205 3.863 7.593 1.00 0.00 H new ATOM 962 N ARG A 60 9.170 3.847 3.941 1.00 0.00 N ATOM 963 CA ARG A 60 10.071 2.694 3.825 1.00 0.00 C ATOM 964 C ARG A 60 11.535 3.094 4.019 1.00 0.00 C ATOM 965 O ARG A 60 12.159 2.709 5.010 1.00 0.00 O ATOM 966 CB ARG A 60 9.898 1.997 2.471 1.00 0.00 C ATOM 967 CG ARG A 60 8.456 1.647 2.122 1.00 0.00 C ATOM 968 CD ARG A 60 8.065 0.259 2.608 1.00 0.00 C ATOM 969 NE ARG A 60 6.850 0.282 3.429 1.00 0.00 N ATOM 970 CZ ARG A 60 6.546 -0.631 4.360 1.00 0.00 C ATOM 971 NH1 ARG A 60 7.376 -1.637 4.625 1.00 0.00 N ATOM 972 NH2 ARG A 60 5.406 -0.531 5.034 1.00 0.00 N ATOM 0 H ARG A 60 8.515 3.943 3.165 1.00 0.00 H new ATOM 0 HA ARG A 60 9.801 1.999 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.302 2.642 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.492 1.083 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.788 2.386 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.322 1.702 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.909 -0.394 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.885 -0.166 3.187 1.00 0.00 H new ATOM 0 HE ARG A 60 6.191 1.046 3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.256 -1.719 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.132 -2.326 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.766 0.239 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.171 -1.225 5.744 1.00 0.00 H new ATOM 986 N ALA A 61 12.080 3.867 3.068 1.00 0.00 N ATOM 987 CA ALA A 61 13.477 4.314 3.133 1.00 0.00 C ATOM 988 C ALA A 61 14.449 3.132 3.170 1.00 0.00 C ATOM 989 O ALA A 61 14.067 2.010 3.509 1.00 0.00 O ATOM 990 CB ALA A 61 13.694 5.224 4.338 1.00 0.00 C ATOM 0 H ALA A 61 11.574 4.195 2.245 1.00 0.00 H new ATOM 0 HA ALA A 61 13.683 4.880 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.735 5.545 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.047 6.098 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.455 4.681 5.252 1.00 0.00 H new ATOM 996 N ALA A 62 15.709 3.388 2.815 1.00 0.00 N ATOM 997 CA ALA A 62 16.733 2.349 2.804 1.00 0.00 C ATOM 998 C ALA A 62 17.368 2.180 4.184 1.00 0.00 C ATOM 999 O ALA A 62 18.217 2.978 4.587 1.00 0.00 O ATOM 1000 CB ALA A 62 17.799 2.669 1.762 1.00 0.00 C ATOM 0 H ALA A 62 16.043 4.309 2.531 1.00 0.00 H new ATOM 0 HA ALA A 62 16.254 1.406 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 62 18.557 1.886 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.338 2.725 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.265 3.625 2.000 1.00 0.00 H new ATOM 1006 N GLY A 63 16.956 1.131 4.904 1.00 0.00 N ATOM 1007 CA GLY A 63 17.503 0.877 6.228 1.00 0.00 C ATOM 1008 C GLY A 63 16.497 0.246 7.179 1.00 0.00 C ATOM 1009 O GLY A 63 16.847 -0.652 7.946 1.00 0.00 O ATOM 0 H GLY A 63 16.256 0.457 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.369 0.221 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.858 1.815 6.654 1.00 0.00 H new ATOM 1013 N GLN A 64 15.248 0.723 7.141 1.00 0.00 N ATOM 1014 CA GLN A 64 14.199 0.202 8.021 1.00 0.00 C ATOM 1015 C GLN A 64 13.386 -0.901 7.334 1.00 0.00 C ATOM 1016 O GLN A 64 13.929 -1.959 7.014 1.00 0.00 O ATOM 1017 CB GLN A 64 13.295 1.348 8.503 1.00 0.00 C ATOM 1018 CG GLN A 64 14.031 2.420 9.297 1.00 0.00 C ATOM 1019 CD GLN A 64 14.319 1.999 10.728 1.00 0.00 C ATOM 1020 OE1 GLN A 64 15.395 1.485 11.031 1.00 0.00 O ATOM 1021 NE2 GLN A 64 13.353 2.215 11.619 1.00 0.00 N ATOM 0 H GLN A 64 14.941 1.466 6.513 1.00 0.00 H new ATOM 0 HA GLN A 64 14.675 -0.250 8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.820 1.812 7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.498 0.934 9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.970 2.656 8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.436 3.333 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.475 2.644 11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.491 1.951 12.595 1.00 0.00 H new ATOM 1030 N ASP A 65 12.089 -0.660 7.104 1.00 0.00 N ATOM 1031 CA ASP A 65 11.227 -1.646 6.453 1.00 0.00 C ATOM 1032 C ASP A 65 11.320 -1.534 4.928 1.00 0.00 C ATOM 1033 O ASP A 65 10.358 -1.836 4.219 1.00 0.00 O ATOM 1034 CB ASP A 65 9.773 -1.463 6.911 1.00 0.00 C ATOM 1035 CG ASP A 65 9.589 -1.742 8.391 1.00 0.00 C ATOM 1036 OD1 ASP A 65 9.314 -2.907 8.746 1.00 0.00 O ATOM 1037 OD2 ASP A 65 9.721 -0.794 9.195 1.00 0.00 O ATOM 0 H ASP A 65 11.618 0.208 7.359 1.00 0.00 H new ATOM 0 HA ASP A 65 11.568 -2.640 6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.453 -0.444 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.128 -2.128 6.337 1.00 0.00 H new ATOM 1042 N ASP A 66 12.483 -1.082 4.437 1.00 0.00 N ATOM 1043 CA ASP A 66 12.731 -0.903 3.019 1.00 0.00 C ATOM 1044 C ASP A 66 11.970 -1.893 2.150 1.00 0.00 C ATOM 1045 O ASP A 66 11.927 -3.094 2.422 1.00 0.00 O ATOM 1046 CB ASP A 66 14.224 -0.993 2.702 1.00 0.00 C ATOM 1047 CG ASP A 66 14.839 -2.323 3.099 1.00 0.00 C ATOM 1048 OD1 ASP A 66 15.237 -2.466 4.275 1.00 0.00 O ATOM 1049 OD2 ASP A 66 14.924 -3.221 2.235 1.00 0.00 O ATOM 0 H ASP A 66 13.277 -0.832 5.026 1.00 0.00 H new ATOM 0 HA ASP A 66 12.365 0.096 2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.372 -0.836 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.748 -0.189 3.219 1.00 0.00 H new ATOM 1054 N VAL A 67 11.396 -1.336 1.102 1.00 0.00 N ATOM 1055 CA VAL A 67 10.610 -2.065 0.095 1.00 0.00 C ATOM 1056 C VAL A 67 10.406 -3.545 0.446 1.00 0.00 C ATOM 1057 O VAL A 67 11.254 -4.390 0.151 1.00 0.00 O ATOM 1058 CB VAL A 67 11.256 -1.960 -1.309 1.00 0.00 C ATOM 1059 CG1 VAL A 67 10.764 -0.713 -2.035 1.00 0.00 C ATOM 1060 CG2 VAL A 67 12.778 -1.966 -1.214 1.00 0.00 C ATOM 0 H VAL A 67 11.458 -0.336 0.911 1.00 0.00 H new ATOM 0 HA VAL A 67 9.631 -1.586 0.087 1.00 0.00 H new ATOM 0 HB VAL A 67 10.953 -2.834 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.229 -0.658 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.681 -0.761 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.029 0.173 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.205 -1.891 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.108 -1.118 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.110 -2.893 -0.746 1.00 0.00 H new ATOM 1070 N PRO A 68 9.267 -3.867 1.089 1.00 0.00 N ATOM 1071 CA PRO A 68 8.930 -5.237 1.494 1.00 0.00 C ATOM 1072 C PRO A 68 8.560 -6.155 0.331 1.00 0.00 C ATOM 1073 O PRO A 68 8.354 -7.354 0.528 1.00 0.00 O ATOM 1074 CB PRO A 68 7.732 -5.045 2.426 1.00 0.00 C ATOM 1075 CG PRO A 68 7.099 -3.782 1.968 1.00 0.00 C ATOM 1076 CD PRO A 68 8.223 -2.908 1.480 1.00 0.00 C ATOM 0 HA PRO A 68 9.786 -5.730 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.039 -5.883 2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.047 -4.976 3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.379 -3.973 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.555 -3.301 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.912 -2.289 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.572 -2.232 2.261 1.00 0.00 H new ATOM 1084 N GLY A 69 8.451 -5.594 -0.875 1.00 0.00 N ATOM 1085 CA GLY A 69 8.077 -6.393 -2.028 1.00 0.00 C ATOM 1086 C GLY A 69 6.569 -6.540 -2.138 1.00 0.00 C ATOM 1087 O GLY A 69 6.039 -6.760 -3.228 1.00 0.00 O ATOM 0 H GLY A 69 8.615 -4.606 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.466 -5.929 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.535 -7.379 -1.953 1.00 0.00 H new ATOM 1091 N ASP A 70 5.880 -6.402 -1.000 1.00 0.00 N ATOM 1092 CA ASP A 70 4.426 -6.499 -0.957 1.00 0.00 C ATOM 1093 C ASP A 70 3.794 -5.154 -1.294 1.00 0.00 C ATOM 1094 O ASP A 70 2.700 -5.108 -1.853 1.00 0.00 O ATOM 1095 CB ASP A 70 3.955 -6.973 0.424 1.00 0.00 C ATOM 1096 CG ASP A 70 4.335 -8.415 0.705 1.00 0.00 C ATOM 1097 OD1 ASP A 70 3.522 -9.313 0.398 1.00 0.00 O ATOM 1098 OD2 ASP A 70 5.444 -8.646 1.230 1.00 0.00 O ATOM 0 H ASP A 70 6.314 -6.222 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 70 4.111 -7.231 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.387 -6.331 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.872 -6.866 0.491 1.00 0.00 H new ATOM 1103 N LEU A 71 4.493 -4.055 -0.976 1.00 0.00 N ATOM 1104 CA LEU A 71 3.971 -2.722 -1.288 1.00 0.00 C ATOM 1105 C LEU A 71 4.186 -2.433 -2.749 1.00 0.00 C ATOM 1106 O LEU A 71 3.275 -2.008 -3.451 1.00 0.00 O ATOM 1107 CB LEU A 71 4.643 -1.612 -0.471 1.00 0.00 C ATOM 1108 CG LEU A 71 4.468 -1.687 1.044 1.00 0.00 C ATOM 1109 CD1 LEU A 71 4.321 -0.282 1.630 1.00 0.00 C ATOM 1110 CD2 LEU A 71 3.272 -2.551 1.419 1.00 0.00 C ATOM 0 H LEU A 71 5.402 -4.063 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 71 2.911 -2.729 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.710 -1.622 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.255 -0.653 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 71 5.359 -2.152 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.197 -0.350 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.213 0.302 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.448 0.204 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.174 -2.585 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.366 -2.127 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.418 -3.561 1.036 1.00 0.00 H new ATOM 1122 N ARG A 72 5.404 -2.696 -3.201 1.00 0.00 N ATOM 1123 CA ARG A 72 5.761 -2.489 -4.599 1.00 0.00 C ATOM 1124 C ARG A 72 4.805 -3.265 -5.498 1.00 0.00 C ATOM 1125 O ARG A 72 4.153 -2.691 -6.361 1.00 0.00 O ATOM 1126 CB ARG A 72 7.201 -2.928 -4.862 1.00 0.00 C ATOM 1127 CG ARG A 72 7.829 -2.285 -6.091 1.00 0.00 C ATOM 1128 CD ARG A 72 8.191 -3.316 -7.156 1.00 0.00 C ATOM 1129 NE ARG A 72 9.014 -4.405 -6.618 1.00 0.00 N ATOM 1130 CZ ARG A 72 9.277 -5.541 -7.271 1.00 0.00 C ATOM 1131 NH1 ARG A 72 8.791 -5.751 -8.492 1.00 0.00 N ATOM 1132 NH2 ARG A 72 10.034 -6.471 -6.699 1.00 0.00 N ATOM 0 H ARG A 72 6.163 -3.053 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 72 5.681 -1.425 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.808 -2.689 -3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.224 -4.011 -4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.136 -1.557 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.725 -1.739 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.278 -3.730 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.728 -2.824 -7.967 1.00 0.00 H new ATOM 0 HE ARG A 72 9.411 -4.288 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.211 -5.041 -8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.998 -6.622 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.412 -6.317 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.237 -7.339 -7.194 1.00 0.00 H new ATOM 1146 N ALA A 73 4.744 -4.577 -5.289 1.00 0.00 N ATOM 1147 CA ALA A 73 3.877 -5.453 -6.086 1.00 0.00 C ATOM 1148 C ALA A 73 2.446 -4.940 -6.067 1.00 0.00 C ATOM 1149 O ALA A 73 1.722 -5.030 -7.059 1.00 0.00 O ATOM 1150 CB ALA A 73 3.940 -6.886 -5.571 1.00 0.00 C ATOM 0 H ALA A 73 5.285 -5.062 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 73 4.234 -5.446 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.290 -7.519 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.965 -7.251 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.610 -6.914 -4.533 1.00 0.00 H new ATOM 1156 N LYS A 74 2.064 -4.377 -4.926 1.00 0.00 N ATOM 1157 CA LYS A 74 0.732 -3.809 -4.754 1.00 0.00 C ATOM 1158 C LYS A 74 0.648 -2.478 -5.498 1.00 0.00 C ATOM 1159 O LYS A 74 -0.342 -2.186 -6.167 1.00 0.00 O ATOM 1160 CB LYS A 74 0.415 -3.612 -3.264 1.00 0.00 C ATOM 1161 CG LYS A 74 -1.074 -3.639 -2.939 1.00 0.00 C ATOM 1162 CD LYS A 74 -1.563 -5.054 -2.646 1.00 0.00 C ATOM 1163 CE LYS A 74 -1.295 -5.458 -1.202 1.00 0.00 C ATOM 1164 NZ LYS A 74 -1.693 -6.869 -0.934 1.00 0.00 N ATOM 0 H LYS A 74 2.661 -4.302 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.005 -4.499 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.916 -4.392 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.831 -2.659 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.270 -3.001 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.637 -3.226 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.632 -5.118 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.068 -5.756 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.235 -5.332 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.841 -4.794 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.494 -7.103 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.710 -6.984 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.153 -7.506 -1.555 1.00 0.00 H new ATOM 1178 N VAL A 75 1.715 -1.688 -5.374 1.00 0.00 N ATOM 1179 CA VAL A 75 1.799 -0.387 -6.033 1.00 0.00 C ATOM 1180 C VAL A 75 1.969 -0.572 -7.536 1.00 0.00 C ATOM 1181 O VAL A 75 1.173 -0.057 -8.319 1.00 0.00 O ATOM 1182 CB VAL A 75 2.963 0.468 -5.478 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.016 1.832 -6.162 1.00 0.00 C ATOM 1184 CG2 VAL A 75 2.832 0.622 -3.970 1.00 0.00 C ATOM 0 H VAL A 75 2.537 -1.929 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 75 0.869 0.143 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 75 3.899 -0.047 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.843 2.412 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.163 1.696 -7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.080 2.363 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.657 1.226 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.887 1.112 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.857 -0.361 -3.500 1.00 0.00 H new ATOM 1194 N MET A 76 3.006 -1.313 -7.933 1.00 0.00 N ATOM 1195 CA MET A 76 3.281 -1.577 -9.345 1.00 0.00 C ATOM 1196 C MET A 76 2.060 -2.197 -10.017 1.00 0.00 C ATOM 1197 O MET A 76 1.603 -1.719 -11.055 1.00 0.00 O ATOM 1198 CB MET A 76 4.488 -2.519 -9.473 1.00 0.00 C ATOM 1199 CG MET A 76 5.832 -1.803 -9.469 1.00 0.00 C ATOM 1200 SD MET A 76 6.753 -2.022 -11.006 1.00 0.00 S ATOM 1201 CE MET A 76 6.774 -3.808 -11.159 1.00 0.00 C ATOM 0 H MET A 76 3.672 -1.743 -7.291 1.00 0.00 H new ATOM 0 HA MET A 76 3.509 -0.634 -9.841 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.466 -3.235 -8.652 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.394 -3.090 -10.397 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.670 -0.739 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.432 -2.172 -8.637 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.679 -4.118 -11.682 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.756 -4.258 -10.167 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.900 -4.135 -11.722 1.00 0.00 H new ATOM 1211 N GLY A 77 1.537 -3.261 -9.407 1.00 0.00 N ATOM 1212 CA GLY A 77 0.368 -3.931 -9.946 1.00 0.00 C ATOM 1213 C GLY A 77 -0.829 -3.009 -10.034 1.00 0.00 C ATOM 1214 O GLY A 77 -1.620 -3.106 -10.972 1.00 0.00 O ATOM 0 H GLY A 77 1.905 -3.669 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.599 -4.320 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.120 -4.787 -9.318 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.948 -2.085 -9.070 1.00 0.00 N ATOM 1219 CA ARG A 78 -2.035 -1.126 -9.077 1.00 0.00 C ATOM 1220 C ARG A 78 -1.765 -0.087 -10.142 1.00 0.00 C ATOM 1221 O ARG A 78 -2.674 0.319 -10.856 1.00 0.00 O ATOM 1222 CB ARG A 78 -2.190 -0.471 -7.713 1.00 0.00 C ATOM 1223 CG ARG A 78 -3.324 0.541 -7.632 1.00 0.00 C ATOM 1224 CD ARG A 78 -4.686 -0.124 -7.788 1.00 0.00 C ATOM 1225 NE ARG A 78 -5.753 0.852 -8.023 1.00 0.00 N ATOM 1226 CZ ARG A 78 -6.249 1.669 -7.089 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -5.770 1.652 -5.848 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -7.226 2.512 -7.402 1.00 0.00 N ATOM 0 H ARG A 78 -0.304 -1.990 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.969 -1.642 -9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.357 -1.247 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.255 0.026 -7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.280 1.060 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.196 1.294 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.651 -0.829 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.913 -0.699 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.144 0.912 -8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.016 1.011 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.156 2.280 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.595 2.534 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.607 3.137 -6.692 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.496 0.311 -10.279 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.129 1.262 -11.307 1.00 0.00 C ATOM 1244 C LEU A 79 -0.543 0.658 -12.638 1.00 0.00 C ATOM 1245 O LEU A 79 -1.298 1.254 -13.400 1.00 0.00 O ATOM 1246 CB LEU A 79 1.371 1.552 -11.271 1.00 0.00 C ATOM 1247 CG LEU A 79 1.774 2.879 -11.902 1.00 0.00 C ATOM 1248 CD1 LEU A 79 1.470 4.037 -10.955 1.00 0.00 C ATOM 1249 CD2 LEU A 79 3.242 2.866 -12.289 1.00 0.00 C ATOM 0 H LEU A 79 0.276 -0.011 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.632 2.216 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.705 1.541 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.896 0.746 -11.784 1.00 0.00 H new ATOM 0 HG LEU A 79 1.188 3.020 -12.810 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.765 4.976 -11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.402 4.059 -10.738 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.026 3.904 -10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.508 3.823 -12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.851 2.700 -11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.422 2.066 -13.007 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.061 -0.562 -12.873 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.389 -1.322 -14.076 1.00 0.00 C ATOM 1263 C ASP A 80 -1.906 -1.408 -14.240 1.00 0.00 C ATOM 1264 O ASP A 80 -2.415 -1.462 -15.361 1.00 0.00 O ATOM 1265 CB ASP A 80 0.219 -2.729 -13.985 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.025 -3.562 -15.230 1.00 0.00 C ATOM 1267 OD1 ASP A 80 0.751 -3.425 -16.198 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -0.992 -4.353 -15.234 1.00 0.00 O ATOM 0 H ASP A 80 0.567 -1.050 -12.235 1.00 0.00 H new ATOM 0 HA ASP A 80 0.028 -0.815 -14.946 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.292 -2.645 -13.816 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.200 -3.245 -13.121 1.00 0.00 H new ATOM 1273 N LEU A 81 -2.626 -1.373 -13.112 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.068 -1.392 -13.113 1.00 0.00 C ATOM 1275 C LEU A 81 -4.593 0.005 -13.452 1.00 0.00 C ATOM 1276 O LEU A 81 -5.538 0.169 -14.224 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.537 -1.802 -11.719 1.00 0.00 C ATOM 1278 CG LEU A 81 -5.832 -2.569 -11.661 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -6.189 -2.855 -10.215 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -6.937 -1.788 -12.352 1.00 0.00 C ATOM 0 H LEU A 81 -2.212 -1.331 -12.181 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.443 -2.097 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.757 -2.408 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.642 -0.902 -11.113 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.715 -3.518 -12.184 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.126 -3.410 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.397 -3.446 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.301 -1.915 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.868 -2.353 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.069 -0.827 -11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.668 -1.622 -13.395 1.00 0.00 H new ATOM 1292 N ILE A 82 -3.946 1.001 -12.844 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.299 2.406 -13.034 1.00 0.00 C ATOM 1294 C ILE A 82 -4.038 2.840 -14.480 1.00 0.00 C ATOM 1295 O ILE A 82 -4.941 3.317 -15.169 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.494 3.321 -12.074 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -3.882 3.049 -10.615 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.702 4.794 -12.417 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.805 3.426 -9.621 1.00 0.00 C ATOM 0 H ILE A 82 -3.163 0.855 -12.207 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.361 2.507 -12.812 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.436 3.091 -12.199 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.791 3.603 -10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.115 1.990 -10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.126 5.413 -11.729 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.369 4.980 -13.438 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.760 5.042 -12.330 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.149 3.206 -8.611 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.901 2.853 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.588 4.491 -9.706 1.00 0.00 H new ATOM 1311 N ARG A 83 -2.788 2.669 -14.921 1.00 0.00 N ATOM 1312 CA ARG A 83 -2.369 3.032 -16.277 1.00 0.00 C ATOM 1313 C ARG A 83 -3.261 2.381 -17.339 1.00 0.00 C ATOM 1314 O ARG A 83 -3.530 2.980 -18.381 1.00 0.00 O ATOM 1315 CB ARG A 83 -0.900 2.645 -16.494 1.00 0.00 C ATOM 1316 CG ARG A 83 -0.610 1.162 -16.321 1.00 0.00 C ATOM 1317 CD ARG A 83 -0.276 0.500 -17.644 1.00 0.00 C ATOM 1318 NE ARG A 83 1.096 -0.012 -17.681 1.00 0.00 N ATOM 1319 CZ ARG A 83 1.610 -0.706 -18.700 1.00 0.00 C ATOM 1320 NH1 ARG A 83 0.875 -0.977 -19.776 1.00 0.00 N ATOM 1321 NH2 ARG A 83 2.867 -1.130 -18.644 1.00 0.00 N ATOM 0 H ARG A 83 -2.040 2.276 -14.349 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.473 4.112 -16.383 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.602 2.947 -17.498 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.281 3.208 -15.795 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.221 1.032 -15.628 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.475 0.671 -15.876 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.972 -0.320 -17.823 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.415 1.218 -18.452 1.00 0.00 H new ATOM 0 HE ARG A 83 1.697 0.173 -16.878 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.091 -0.654 -19.828 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.278 -1.508 -20.548 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.438 -0.926 -17.824 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.261 -1.660 -19.421 1.00 0.00 H new ATOM 1335 N SER A 84 -3.725 1.159 -17.063 1.00 0.00 N ATOM 1336 CA SER A 84 -4.597 0.437 -17.991 1.00 0.00 C ATOM 1337 C SER A 84 -5.933 1.168 -18.171 1.00 0.00 C ATOM 1338 O SER A 84 -6.505 1.165 -19.263 1.00 0.00 O ATOM 1339 CB SER A 84 -4.844 -0.991 -17.492 1.00 0.00 C ATOM 1340 OG SER A 84 -5.583 -1.743 -18.440 1.00 0.00 O ATOM 0 H SER A 84 -3.511 0.650 -16.205 1.00 0.00 H new ATOM 0 HA SER A 84 -4.096 0.393 -18.958 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.890 -1.482 -17.298 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.385 -0.960 -16.546 1.00 0.00 H new ATOM 0 HG SER A 84 -5.726 -2.650 -18.098 1.00 0.00 H new ATOM 1346 N GLY A 85 -6.419 1.796 -17.094 1.00 0.00 N ATOM 1347 CA GLY A 85 -7.671 2.527 -17.146 1.00 0.00 C ATOM 1348 C GLY A 85 -8.747 1.915 -16.266 1.00 0.00 C ATOM 1349 O GLY A 85 -9.835 1.593 -16.747 1.00 0.00 O ATOM 0 H GLY A 85 -5.960 1.807 -16.183 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.498 3.558 -16.837 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.025 2.559 -18.176 1.00 0.00 H new ATOM 1353 N GLN A 86 -8.445 1.754 -14.973 1.00 0.00 N ATOM 1354 CA GLN A 86 -9.385 1.180 -14.025 1.00 0.00 C ATOM 1355 C GLN A 86 -9.082 1.619 -12.597 1.00 0.00 C ATOM 1356 O GLN A 86 -7.954 1.490 -12.116 1.00 0.00 O ATOM 1357 CB GLN A 86 -9.360 -0.344 -14.109 1.00 0.00 C ATOM 1358 CG GLN A 86 -10.266 -0.896 -15.194 1.00 0.00 C ATOM 1359 CD GLN A 86 -10.988 -2.164 -14.773 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -12.117 -2.115 -14.285 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -10.340 -3.311 -14.961 1.00 0.00 N ATOM 0 H GLN A 86 -7.548 2.018 -14.564 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.378 1.543 -14.289 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.338 -0.675 -14.294 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.660 -0.760 -13.147 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.001 -0.139 -15.466 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.674 -1.100 -16.086 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.405 -3.308 -15.369 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.778 -4.194 -14.697 1.00 0.00 H new ATOM 1370 N SER A 87 -10.113 2.114 -11.925 1.00 0.00 N ATOM 1371 CA SER A 87 -10.006 2.558 -10.540 1.00 0.00 C ATOM 1372 C SER A 87 -10.621 1.508 -9.616 1.00 0.00 C ATOM 1373 O SER A 87 -11.844 1.362 -9.558 1.00 0.00 O ATOM 1374 CB SER A 87 -10.699 3.912 -10.349 1.00 0.00 C ATOM 1375 OG SER A 87 -9.807 4.872 -9.809 1.00 0.00 O ATOM 0 H SER A 87 -11.046 2.219 -12.323 1.00 0.00 H new ATOM 0 HA SER A 87 -8.952 2.681 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.082 4.266 -11.306 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.556 3.795 -9.686 1.00 0.00 H new ATOM 0 HG SER A 87 -8.929 4.778 -10.234 1.00 0.00 H new ATOM 1381 N VAL A 88 -9.766 0.757 -8.918 1.00 0.00 N ATOM 1382 CA VAL A 88 -10.225 -0.301 -8.025 1.00 0.00 C ATOM 1383 C VAL A 88 -10.008 0.062 -6.547 1.00 0.00 C ATOM 1384 O VAL A 88 -8.960 0.596 -6.181 1.00 0.00 O ATOM 1385 CB VAL A 88 -9.531 -1.649 -8.356 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -9.261 -1.759 -9.853 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -8.239 -1.825 -7.571 1.00 0.00 C ATOM 0 H VAL A 88 -8.752 0.865 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.297 -0.411 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.210 -2.448 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.774 -2.711 -10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.204 -1.704 -10.398 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.612 -0.941 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.783 -2.780 -7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.551 -1.016 -7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.456 -1.805 -6.503 1.00 0.00 H new ATOM 1397 N PRO A 89 -11.013 -0.204 -5.683 1.00 0.00 N ATOM 1398 CA PRO A 89 -10.956 0.106 -4.260 1.00 0.00 C ATOM 1399 C PRO A 89 -10.574 -1.096 -3.387 1.00 0.00 C ATOM 1400 O PRO A 89 -11.349 -2.043 -3.247 1.00 0.00 O ATOM 1401 CB PRO A 89 -12.398 0.526 -3.992 1.00 0.00 C ATOM 1402 CG PRO A 89 -13.226 -0.313 -4.923 1.00 0.00 C ATOM 1403 CD PRO A 89 -12.312 -0.802 -6.021 1.00 0.00 C ATOM 0 HA PRO A 89 -10.197 0.851 -4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -12.673 0.351 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.542 1.589 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.670 -1.154 -4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -14.047 0.271 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -12.259 -1.890 -6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.658 -0.480 -7.003 1.00 0.00 H new ATOM 1411 N GLU A 90 -9.380 -1.036 -2.794 1.00 0.00 N ATOM 1412 CA GLU A 90 -8.884 -2.102 -1.916 1.00 0.00 C ATOM 1413 C GLU A 90 -7.492 -1.761 -1.365 1.00 0.00 C ATOM 1414 O GLU A 90 -6.596 -2.607 -1.348 1.00 0.00 O ATOM 1415 CB GLU A 90 -8.850 -3.454 -2.650 1.00 0.00 C ATOM 1416 CG GLU A 90 -8.134 -3.421 -3.993 1.00 0.00 C ATOM 1417 CD GLU A 90 -8.283 -4.715 -4.769 1.00 0.00 C ATOM 1418 OE1 GLU A 90 -9.338 -4.904 -5.412 1.00 0.00 O ATOM 1419 OE2 GLU A 90 -7.347 -5.541 -4.734 1.00 0.00 O ATOM 0 H GLU A 90 -8.733 -0.255 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.575 -2.184 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.363 -4.189 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.873 -3.795 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.527 -2.598 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.075 -3.220 -3.830 1.00 0.00 H new ATOM 1426 N HIS A 91 -7.323 -0.515 -0.913 1.00 0.00 N ATOM 1427 CA HIS A 91 -6.047 -0.052 -0.358 1.00 0.00 C ATOM 1428 C HIS A 91 -6.205 0.347 1.113 1.00 0.00 C ATOM 1429 O HIS A 91 -6.021 1.509 1.478 1.00 0.00 O ATOM 1430 CB HIS A 91 -5.503 1.130 -1.180 1.00 0.00 C ATOM 1431 CG HIS A 91 -6.516 2.199 -1.463 1.00 0.00 C ATOM 1432 ND1 HIS A 91 -7.362 2.166 -2.551 1.00 0.00 N ATOM 1433 CD2 HIS A 91 -6.819 3.337 -0.790 1.00 0.00 C ATOM 1434 CE1 HIS A 91 -8.138 3.235 -2.537 1.00 0.00 C ATOM 1435 NE2 HIS A 91 -7.829 3.961 -1.479 1.00 0.00 N ATOM 0 H HIS A 91 -8.057 0.194 -0.921 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.333 -0.873 -0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.663 1.573 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.116 0.752 -2.126 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.352 3.687 0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.897 3.474 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.269 4.843 -1.216 1.00 0.00 H new ATOM 1444 N ASP A 92 -6.546 -0.633 1.952 1.00 0.00 N ATOM 1445 CA ASP A 92 -6.729 -0.394 3.384 1.00 0.00 C ATOM 1446 C ASP A 92 -5.377 -0.253 4.085 1.00 0.00 C ATOM 1447 O ASP A 92 -5.059 0.807 4.629 1.00 0.00 O ATOM 1448 CB ASP A 92 -7.531 -1.537 4.021 1.00 0.00 C ATOM 1449 CG ASP A 92 -8.968 -1.581 3.535 1.00 0.00 C ATOM 1450 OD1 ASP A 92 -9.234 -2.276 2.531 1.00 0.00 O ATOM 1451 OD2 ASP A 92 -9.826 -0.923 4.159 1.00 0.00 O ATOM 0 H ASP A 92 -6.701 -1.599 1.664 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.284 0.537 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.046 -2.487 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.521 -1.423 5.105 1.00 0.00 H new ATOM 1456 N VAL A 93 -4.588 -1.328 4.064 1.00 0.00 N ATOM 1457 CA VAL A 93 -3.270 -1.342 4.688 1.00 0.00 C ATOM 1458 C VAL A 93 -2.165 -1.552 3.651 1.00 0.00 C ATOM 1459 O VAL A 93 -0.981 -1.529 3.989 1.00 0.00 O ATOM 1460 CB VAL A 93 -3.171 -2.440 5.777 1.00 0.00 C ATOM 1461 CG1 VAL A 93 -1.974 -2.193 6.693 1.00 0.00 C ATOM 1462 CG2 VAL A 93 -4.460 -2.520 6.590 1.00 0.00 C ATOM 0 H VAL A 93 -4.845 -2.207 3.616 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.133 -0.368 5.157 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.025 -3.396 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.926 -2.977 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.057 -2.201 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.083 -1.225 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.365 -3.298 7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.644 -1.562 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.293 -2.758 5.929 1.00 0.00 H new ATOM 1472 N ALA A 94 -2.558 -1.772 2.387 1.00 0.00 N ATOM 1473 CA ALA A 94 -1.601 -2.008 1.305 1.00 0.00 C ATOM 1474 C ALA A 94 -0.773 -3.270 1.565 1.00 0.00 C ATOM 1475 O ALA A 94 0.215 -3.531 0.874 1.00 0.00 O ATOM 1476 CB ALA A 94 -0.703 -0.792 1.106 1.00 0.00 C ATOM 0 H ALA A 94 -3.534 -1.791 2.093 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.163 -2.167 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.001 -0.988 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.314 0.074 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.153 -0.592 2.025 1.00 0.00 H new ATOM 1482 N ALA A 95 -1.196 -4.056 2.562 1.00 0.00 N ATOM 1483 CA ALA A 95 -0.518 -5.296 2.922 1.00 0.00 C ATOM 1484 C ALA A 95 -1.529 -6.419 3.155 1.00 0.00 C ATOM 1485 O ALA A 95 -1.364 -7.530 2.648 1.00 0.00 O ATOM 1486 CB ALA A 95 0.348 -5.089 4.158 1.00 0.00 C ATOM 0 H ALA A 95 -2.013 -3.848 3.136 1.00 0.00 H new ATOM 0 HA ALA A 95 0.127 -5.587 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.847 -6.024 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.096 -4.322 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.278 -4.772 4.992 1.00 0.00 H new ATOM 1492 N ALA A 96 -2.581 -6.115 3.922 1.00 0.00 N ATOM 1493 CA ALA A 96 -3.632 -7.084 4.224 1.00 0.00 C ATOM 1494 C ALA A 96 -5.017 -6.448 4.064 1.00 0.00 C ATOM 1495 O ALA A 96 -5.718 -6.206 5.050 1.00 0.00 O ATOM 1496 CB ALA A 96 -3.451 -7.629 5.634 1.00 0.00 C ATOM 0 H ALA A 96 -2.725 -5.199 4.346 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.557 -7.911 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.239 -8.350 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.480 -8.118 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.504 -6.809 6.350 1.00 0.00 H new ATOM 1502 N PRO A 97 -5.426 -6.158 2.811 1.00 0.00 N ATOM 1503 CA PRO A 97 -6.722 -5.537 2.521 1.00 0.00 C ATOM 1504 C PRO A 97 -7.873 -6.545 2.507 1.00 0.00 C ATOM 1505 O PRO A 97 -7.677 -7.722 2.199 1.00 0.00 O ATOM 1506 CB PRO A 97 -6.506 -4.942 1.130 1.00 0.00 C ATOM 1507 CG PRO A 97 -5.521 -5.853 0.478 1.00 0.00 C ATOM 1508 CD PRO A 97 -4.645 -6.401 1.578 1.00 0.00 C ATOM 0 HA PRO A 97 -7.009 -4.809 3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.439 -4.900 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.124 -3.923 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.030 -6.660 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.925 -5.315 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.443 -7.463 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.680 -5.894 1.610 1.00 0.00 H new ATOM 1516 N SER A 98 -9.074 -6.069 2.841 1.00 0.00 N ATOM 1517 CA SER A 98 -10.265 -6.917 2.867 1.00 0.00 C ATOM 1518 C SER A 98 -11.533 -6.085 2.656 1.00 0.00 C ATOM 1519 O SER A 98 -12.429 -6.069 3.505 1.00 0.00 O ATOM 1520 CB SER A 98 -10.345 -7.679 4.197 1.00 0.00 C ATOM 1521 OG SER A 98 -11.365 -8.663 4.163 1.00 0.00 O ATOM 0 H SER A 98 -9.247 -5.097 3.098 1.00 0.00 H new ATOM 0 HA SER A 98 -10.190 -7.636 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.386 -8.153 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.539 -6.979 5.009 1.00 0.00 H new ATOM 0 HG SER A 98 -12.237 -8.227 4.065 1.00 0.00 H new ATOM 1527 N SER A 99 -11.601 -5.390 1.516 1.00 0.00 N ATOM 1528 CA SER A 99 -12.756 -4.552 1.192 1.00 0.00 C ATOM 1529 C SER A 99 -13.872 -5.374 0.543 1.00 0.00 C ATOM 1530 O SER A 99 -15.024 -5.315 0.975 1.00 0.00 O ATOM 1531 CB SER A 99 -12.339 -3.405 0.263 1.00 0.00 C ATOM 1532 OG SER A 99 -11.722 -3.897 -0.915 1.00 0.00 O ATOM 0 H SER A 99 -10.870 -5.392 0.804 1.00 0.00 H new ATOM 0 HA SER A 99 -13.139 -4.135 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.214 -2.812 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.651 -2.741 0.787 1.00 0.00 H new ATOM 0 HG SER A 99 -11.687 -3.185 -1.588 1.00 0.00 H new ATOM 1538 N SER A 100 -13.523 -6.141 -0.495 1.00 0.00 N ATOM 1539 CA SER A 100 -14.501 -6.973 -1.200 1.00 0.00 C ATOM 1540 C SER A 100 -13.812 -8.079 -2.002 1.00 0.00 C ATOM 1541 O SER A 100 -14.121 -9.260 -1.831 1.00 0.00 O ATOM 1542 CB SER A 100 -15.364 -6.111 -2.130 1.00 0.00 C ATOM 1543 OG SER A 100 -16.430 -6.866 -2.684 1.00 0.00 O ATOM 0 H SER A 100 -12.574 -6.202 -0.864 1.00 0.00 H new ATOM 0 HA SER A 100 -15.141 -7.442 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.765 -5.262 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.747 -5.705 -2.932 1.00 0.00 H new ATOM 0 HG SER A 100 -16.966 -6.293 -3.271 1.00 0.00 H new ATOM 1549 N ALA A 101 -12.882 -7.691 -2.878 1.00 0.00 N ATOM 1550 CA ALA A 101 -12.153 -8.649 -3.708 1.00 0.00 C ATOM 1551 C ALA A 101 -10.652 -8.344 -3.721 1.00 0.00 C ATOM 1552 O ALA A 101 -10.123 -7.835 -4.712 1.00 0.00 O ATOM 1553 CB ALA A 101 -12.713 -8.645 -5.126 1.00 0.00 C ATOM 0 H ALA A 101 -12.617 -6.718 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 101 -12.285 -9.642 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.163 -9.362 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.767 -8.922 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.610 -7.648 -5.555 1.00 0.00 H new ATOM 1559 N PRO A 102 -9.941 -8.648 -2.611 1.00 0.00 N ATOM 1560 CA PRO A 102 -8.492 -8.402 -2.496 1.00 0.00 C ATOM 1561 C PRO A 102 -7.693 -9.017 -3.648 1.00 0.00 C ATOM 1562 O PRO A 102 -6.928 -8.323 -4.320 1.00 0.00 O ATOM 1563 CB PRO A 102 -8.127 -9.068 -1.166 1.00 0.00 C ATOM 1564 CG PRO A 102 -9.387 -9.019 -0.381 1.00 0.00 C ATOM 1565 CD PRO A 102 -10.488 -9.248 -1.376 1.00 0.00 C ATOM 0 HA PRO A 102 -8.256 -7.339 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.788 -10.093 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.321 -8.535 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.395 -9.783 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.502 -8.056 0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.705 -10.309 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -11.417 -8.767 -1.070 1.00 0.00 H new ATOM 1573 N GLN A 103 -7.879 -10.322 -3.871 1.00 0.00 N ATOM 1574 CA GLN A 103 -7.177 -11.032 -4.943 1.00 0.00 C ATOM 1575 C GLN A 103 -7.840 -12.384 -5.228 1.00 0.00 C ATOM 1576 O GLN A 103 -7.194 -13.433 -5.153 1.00 0.00 O ATOM 1577 CB GLN A 103 -5.697 -11.228 -4.576 1.00 0.00 C ATOM 1578 CG GLN A 103 -4.812 -11.572 -5.758 1.00 0.00 C ATOM 1579 CD GLN A 103 -3.333 -11.400 -5.455 1.00 0.00 C ATOM 1580 OE1 GLN A 103 -2.757 -10.342 -5.707 1.00 0.00 O ATOM 1581 NE2 GLN A 103 -2.710 -12.442 -4.913 1.00 0.00 N ATOM 0 H GLN A 103 -8.510 -10.907 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.236 -10.427 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.325 -10.316 -4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.619 -12.022 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.999 -12.603 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.081 -10.939 -6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.226 -13.301 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.716 -12.383 -4.690 1.00 0.00 H new ATOM 1590 N GLU A 104 -9.133 -12.351 -5.557 1.00 0.00 N ATOM 1591 CA GLU A 104 -9.884 -13.573 -5.857 1.00 0.00 C ATOM 1592 C GLU A 104 -9.756 -13.954 -7.335 1.00 0.00 C ATOM 1593 O GLU A 104 -9.696 -15.137 -7.672 1.00 0.00 O ATOM 1594 CB GLU A 104 -11.364 -13.412 -5.472 1.00 0.00 C ATOM 1595 CG GLU A 104 -12.098 -12.319 -6.243 1.00 0.00 C ATOM 1596 CD GLU A 104 -13.537 -12.152 -5.793 1.00 0.00 C ATOM 1597 OE1 GLU A 104 -14.446 -12.568 -6.542 1.00 0.00 O ATOM 1598 OE2 GLU A 104 -13.755 -11.608 -4.690 1.00 0.00 O ATOM 0 H GLU A 104 -9.681 -11.493 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.456 -14.379 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.875 -14.361 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.428 -13.194 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.570 -11.374 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.079 -12.555 -7.307 1.00 0.00 H new ATOM 1605 N SER A 105 -9.714 -12.946 -8.211 1.00 0.00 N ATOM 1606 CA SER A 105 -9.593 -13.176 -9.651 1.00 0.00 C ATOM 1607 C SER A 105 -8.839 -12.031 -10.325 1.00 0.00 C ATOM 1608 O SER A 105 -9.177 -10.859 -10.056 1.00 0.00 O ATOM 1609 CB SER A 105 -10.979 -13.336 -10.283 1.00 0.00 C ATOM 1610 OG SER A 105 -10.882 -13.775 -11.627 1.00 0.00 O ATOM 1611 OXT SER A 105 -7.916 -12.318 -11.116 1.00 0.00 O ATOM 0 H SER A 105 -9.762 -11.962 -7.946 1.00 0.00 H new ATOM 0 HA SER A 105 -9.027 -14.095 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.565 -14.051 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.511 -12.385 -10.246 1.00 0.00 H new ATOM 0 HG SER A 105 -11.781 -13.870 -12.006 1.00 0.00 H new TER 1617 SER A 105