USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 29 GLN : amide:sc= 0.874 K(o=0.87,f=-0.81) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.14) USER MOD Single : A 32 CYS SG : rot -154:sc= -4.99! USER MOD Single : A 34 SER OG : rot 180:sc= 0.025 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.582 K(o=0.58,f=-3.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 44 SER OG : rot -42:sc= 0.434 USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= 1.04 (180deg=-0.945!) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.36) USER MOD Single : A 68 GLN : amide:sc= 0.557 K(o=0.56,f=-7.6!) USER MOD Single : A 71 MET CE :methyl 176:sc= -0.158 (180deg=-0.188) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.314) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.845) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.473 3.119 -2.405 1.00 0.00 N ATOM 20 CA ASP A 23 -12.340 1.727 -2.757 1.00 0.00 C ATOM 21 C ASP A 23 -10.871 1.368 -2.609 1.00 0.00 C ATOM 22 O ASP A 23 -10.034 1.769 -3.417 1.00 0.00 O ATOM 23 CB ASP A 23 -12.855 1.555 -4.191 1.00 0.00 C ATOM 24 CG ASP A 23 -14.304 2.007 -4.327 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.546 3.194 -3.998 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.132 1.166 -4.732 1.00 0.00 O ATOM 0 HA ASP A 23 -12.920 1.062 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.229 2.129 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.771 0.509 -4.485 1.00 0.00 H new ATOM 31 N ALA A 24 -10.560 0.667 -1.520 1.00 0.00 N ATOM 32 CA ALA A 24 -9.198 0.411 -1.099 1.00 0.00 C ATOM 33 C ALA A 24 -8.337 -0.077 -2.255 1.00 0.00 C ATOM 34 O ALA A 24 -7.314 0.528 -2.566 1.00 0.00 O ATOM 35 CB ALA A 24 -9.195 -0.616 0.024 1.00 0.00 C ATOM 0 H ALA A 24 -11.261 0.259 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.772 1.348 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.169 -0.807 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.769 -0.234 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.645 -1.544 -0.330 1.00 0.00 H new ATOM 41 N GLU A 25 -8.764 -1.156 -2.915 1.00 0.00 N ATOM 42 CA GLU A 25 -7.993 -1.678 -4.023 1.00 0.00 C ATOM 43 C GLU A 25 -7.820 -0.609 -5.093 1.00 0.00 C ATOM 44 O GLU A 25 -6.719 -0.478 -5.603 1.00 0.00 O ATOM 45 CB GLU A 25 -8.569 -2.989 -4.564 1.00 0.00 C ATOM 46 CG GLU A 25 -9.643 -2.794 -5.631 1.00 0.00 C ATOM 47 CD GLU A 25 -10.254 -4.131 -6.025 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.695 -4.839 -5.095 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.249 -4.422 -7.240 1.00 0.00 O ATOM 0 H GLU A 25 -9.620 -1.668 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.998 -1.936 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.759 -3.586 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.991 -3.559 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.421 -2.129 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.209 -2.313 -6.508 1.00 0.00 H new ATOM 56 N ALA A 26 -8.859 0.177 -5.404 1.00 0.00 N ATOM 57 CA ALA A 26 -8.780 1.229 -6.410 1.00 0.00 C ATOM 58 C ALA A 26 -7.679 2.221 -6.059 1.00 0.00 C ATOM 59 O ALA A 26 -6.924 2.620 -6.940 1.00 0.00 O ATOM 60 CB ALA A 26 -10.113 1.954 -6.591 1.00 0.00 C ATOM 0 H ALA A 26 -9.775 0.097 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.539 0.751 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.006 2.729 -7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.875 1.241 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.410 2.410 -5.647 1.00 0.00 H new ATOM 66 N VAL A 27 -7.557 2.595 -4.777 1.00 0.00 N ATOM 67 CA VAL A 27 -6.387 3.346 -4.337 1.00 0.00 C ATOM 68 C VAL A 27 -5.145 2.600 -4.797 1.00 0.00 C ATOM 69 O VAL A 27 -4.345 3.175 -5.530 1.00 0.00 O ATOM 70 CB VAL A 27 -6.354 3.608 -2.818 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.130 4.457 -2.439 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.616 4.334 -2.347 1.00 0.00 C ATOM 0 H VAL A 27 -8.240 2.393 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.430 4.337 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.297 2.635 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.126 4.630 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.219 3.931 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.175 5.413 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.559 4.502 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.698 5.292 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.492 3.725 -2.573 1.00 0.00 H new ATOM 82 N VAL A 28 -4.939 1.336 -4.416 1.00 0.00 N ATOM 83 CA VAL A 28 -3.608 0.802 -4.611 1.00 0.00 C ATOM 84 C VAL A 28 -3.313 0.632 -6.110 1.00 0.00 C ATOM 85 O VAL A 28 -2.256 1.025 -6.614 1.00 0.00 O ATOM 86 CB VAL A 28 -3.425 -0.413 -3.700 1.00 0.00 C ATOM 87 CG1 VAL A 28 -1.954 -0.670 -3.395 1.00 0.00 C ATOM 88 CG2 VAL A 28 -4.086 -0.118 -2.346 1.00 0.00 C ATOM 0 H VAL A 28 -5.628 0.709 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.825 1.492 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.861 -1.272 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.864 -1.541 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.416 -0.854 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.528 0.201 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.963 -0.977 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.617 0.756 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.148 0.076 -2.494 1.00 0.00 H new ATOM 98 N GLN A 29 -4.349 0.184 -6.819 1.00 0.00 N ATOM 99 CA GLN A 29 -4.517 0.073 -8.257 1.00 0.00 C ATOM 100 C GLN A 29 -4.465 1.421 -9.002 1.00 0.00 C ATOM 101 O GLN A 29 -4.560 1.418 -10.226 1.00 0.00 O ATOM 102 CB GLN A 29 -5.843 -0.674 -8.519 1.00 0.00 C ATOM 103 CG GLN A 29 -5.801 -2.141 -8.066 1.00 0.00 C ATOM 104 CD GLN A 29 -4.845 -2.969 -8.918 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.692 -2.722 -10.109 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.166 -3.936 -8.314 1.00 0.00 N ATOM 0 H GLN A 29 -5.185 -0.147 -6.337 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.671 -0.485 -8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.652 -0.161 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.073 -0.634 -9.584 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.493 -2.190 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.802 -2.568 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.313 -4.120 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.497 -4.496 -8.842 1.00 0.00 H new ATOM 115 N GLN A 30 -4.282 2.563 -8.324 1.00 0.00 N ATOM 116 CA GLN A 30 -4.048 3.841 -9.006 1.00 0.00 C ATOM 117 C GLN A 30 -3.015 4.763 -8.341 1.00 0.00 C ATOM 118 O GLN A 30 -2.628 5.759 -8.948 1.00 0.00 O ATOM 119 CB GLN A 30 -5.379 4.576 -9.234 1.00 0.00 C ATOM 120 CG GLN A 30 -5.537 4.927 -10.718 1.00 0.00 C ATOM 121 CD GLN A 30 -6.814 5.717 -10.971 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.851 5.154 -11.304 1.00 0.00 O ATOM 123 NE2 GLN A 30 -6.753 7.037 -10.823 1.00 0.00 N ATOM 0 H GLN A 30 -4.292 2.626 -7.306 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.598 3.576 -9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.210 3.950 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.410 5.484 -8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.676 5.508 -11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.550 4.012 -11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.877 7.479 -10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.582 7.607 -10.987 1.00 0.00 H new ATOM 132 N LYS A 31 -2.585 4.475 -7.111 1.00 0.00 N ATOM 133 CA LYS A 31 -1.672 5.301 -6.333 1.00 0.00 C ATOM 134 C LYS A 31 -0.346 4.573 -6.087 1.00 0.00 C ATOM 135 O LYS A 31 0.630 5.224 -5.718 1.00 0.00 O ATOM 136 CB LYS A 31 -2.360 5.703 -5.008 1.00 0.00 C ATOM 137 CG LYS A 31 -2.627 7.208 -4.878 1.00 0.00 C ATOM 138 CD LYS A 31 -3.675 7.677 -5.896 1.00 0.00 C ATOM 139 CE LYS A 31 -4.063 9.142 -5.639 1.00 0.00 C ATOM 140 NZ LYS A 31 -5.360 9.266 -4.946 1.00 0.00 N ATOM 0 H LYS A 31 -2.875 3.631 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.433 6.206 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.306 5.168 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.736 5.381 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.971 7.433 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.699 7.759 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.280 7.572 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.560 7.044 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.287 9.621 -5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.109 9.675 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.546 10.267 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.116 8.894 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.333 8.724 -4.059 1.00 0.00 H new ATOM 154 N CYS A 32 -0.307 3.241 -6.239 1.00 0.00 N ATOM 155 CA CYS A 32 0.814 2.432 -5.780 1.00 0.00 C ATOM 156 C CYS A 32 1.362 1.538 -6.894 1.00 0.00 C ATOM 157 O CYS A 32 2.577 1.478 -7.103 1.00 0.00 O ATOM 158 CB CYS A 32 0.371 1.605 -4.577 1.00 0.00 C ATOM 159 SG CYS A 32 -0.773 2.482 -3.448 1.00 0.00 S ATOM 0 H CYS A 32 -1.052 2.703 -6.682 1.00 0.00 H new ATOM 0 HA CYS A 32 1.628 3.094 -5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.113 0.696 -4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.254 1.298 -4.016 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.670 1.983 -2.252 1.00 0.00 H new ATOM 164 N ILE A 33 0.476 0.856 -7.631 1.00 0.00 N ATOM 165 CA ILE A 33 0.883 0.005 -8.746 1.00 0.00 C ATOM 166 C ILE A 33 1.750 0.764 -9.753 1.00 0.00 C ATOM 167 O ILE A 33 2.558 0.157 -10.447 1.00 0.00 O ATOM 168 CB ILE A 33 -0.319 -0.637 -9.451 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.259 0.394 -10.096 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.054 -1.596 -8.507 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.128 -0.242 -11.187 1.00 0.00 C ATOM 0 H ILE A 33 -0.531 0.880 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 33 1.484 -0.796 -8.316 1.00 0.00 H new ATOM 0 HB ILE A 33 0.071 -1.225 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.898 0.834 -9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.671 1.205 -10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.903 -2.040 -9.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.373 -2.384 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.410 -1.047 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.780 0.516 -11.621 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.488 -0.659 -11.965 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.735 -1.036 -10.752 1.00 0.00 H new ATOM 183 N SER A 34 1.618 2.092 -9.810 1.00 0.00 N ATOM 184 CA SER A 34 2.449 2.952 -10.626 1.00 0.00 C ATOM 185 C SER A 34 3.947 2.661 -10.442 1.00 0.00 C ATOM 186 O SER A 34 4.711 2.896 -11.376 1.00 0.00 O ATOM 187 CB SER A 34 2.080 4.403 -10.308 1.00 0.00 C ATOM 188 OG SER A 34 1.937 4.565 -8.910 1.00 0.00 O ATOM 0 H SER A 34 0.913 2.600 -9.276 1.00 0.00 H new ATOM 0 HA SER A 34 2.260 2.757 -11.682 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.851 5.075 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.151 4.670 -10.811 1.00 0.00 H new ATOM 0 HG SER A 34 1.703 5.495 -8.711 1.00 0.00 H new ATOM 194 N CYS A 35 4.361 2.148 -9.272 1.00 0.00 N ATOM 195 CA CYS A 35 5.697 1.587 -9.071 1.00 0.00 C ATOM 196 C CYS A 35 5.618 0.088 -8.750 1.00 0.00 C ATOM 197 O CYS A 35 6.406 -0.696 -9.278 1.00 0.00 O ATOM 198 CB CYS A 35 6.479 2.364 -8.000 1.00 0.00 C ATOM 199 SG CYS A 35 6.229 4.155 -8.213 1.00 0.00 S ATOM 0 H CYS A 35 3.773 2.113 -8.439 1.00 0.00 H new ATOM 0 HA CYS A 35 6.250 1.693 -10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.150 2.059 -7.007 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.541 2.127 -8.071 1.00 0.00 H new ATOM 0 HG CYS A 35 6.894 4.798 -7.299 1.00 0.00 H new ATOM 204 N HIS A 36 4.677 -0.330 -7.895 1.00 0.00 N ATOM 205 CA HIS A 36 4.591 -1.717 -7.439 1.00 0.00 C ATOM 206 C HIS A 36 4.120 -2.706 -8.523 1.00 0.00 C ATOM 207 O HIS A 36 4.243 -3.917 -8.330 1.00 0.00 O ATOM 208 CB HIS A 36 3.782 -1.798 -6.134 1.00 0.00 C ATOM 209 CG HIS A 36 4.509 -1.200 -4.944 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.433 -1.864 -4.163 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.364 0.064 -4.421 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.817 -1.022 -3.190 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.205 0.167 -3.302 1.00 0.00 N ATOM 0 H HIS A 36 3.960 0.281 -7.504 1.00 0.00 H new ATOM 0 HA HIS A 36 5.606 -2.050 -7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.832 -1.280 -6.270 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.549 -2.842 -5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.764 -2.819 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.717 0.840 -4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.528 -1.270 -2.416 1.00 0.00 H new ATOM 221 N GLY A 37 3.647 -2.224 -9.678 1.00 0.00 N ATOM 222 CA GLY A 37 3.473 -2.997 -10.903 1.00 0.00 C ATOM 223 C GLY A 37 2.038 -2.957 -11.422 1.00 0.00 C ATOM 224 O GLY A 37 1.694 -2.130 -12.261 1.00 0.00 O ATOM 0 H GLY A 37 3.366 -1.249 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.144 -2.611 -11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.761 -4.032 -10.719 1.00 0.00 H new ATOM 228 N GLY A 38 1.210 -3.889 -10.950 1.00 0.00 N ATOM 229 CA GLY A 38 -0.170 -4.051 -11.394 1.00 0.00 C ATOM 230 C GLY A 38 -0.918 -4.872 -10.356 1.00 0.00 C ATOM 231 O GLY A 38 -1.833 -4.389 -9.699 1.00 0.00 O ATOM 0 H GLY A 38 1.486 -4.563 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.644 -3.078 -11.520 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.200 -4.548 -12.364 1.00 0.00 H new ATOM 235 N ASP A 39 -0.452 -6.099 -10.133 1.00 0.00 N ATOM 236 CA ASP A 39 -0.945 -6.972 -9.074 1.00 0.00 C ATOM 237 C ASP A 39 -0.231 -6.709 -7.743 1.00 0.00 C ATOM 238 O ASP A 39 -0.458 -7.440 -6.784 1.00 0.00 O ATOM 239 CB ASP A 39 -0.866 -8.440 -9.516 1.00 0.00 C ATOM 240 CG ASP A 39 -2.090 -8.838 -10.330 1.00 0.00 C ATOM 241 OD1 ASP A 39 -2.273 -8.234 -11.408 1.00 0.00 O ATOM 242 OD2 ASP A 39 -2.818 -9.734 -9.852 1.00 0.00 O ATOM 0 H ASP A 39 0.290 -6.520 -10.692 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.996 -6.743 -8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.035 -8.596 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.785 -9.082 -8.639 1.00 0.00 H new ATOM 247 N LEU A 40 0.658 -5.702 -7.683 1.00 0.00 N ATOM 248 CA LEU A 40 1.411 -5.310 -6.484 1.00 0.00 C ATOM 249 C LEU A 40 2.528 -6.318 -6.211 1.00 0.00 C ATOM 250 O LEU A 40 3.056 -6.415 -5.099 1.00 0.00 O ATOM 251 CB LEU A 40 0.484 -5.136 -5.273 1.00 0.00 C ATOM 252 CG LEU A 40 -0.795 -4.352 -5.614 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.985 -4.914 -4.837 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.613 -2.875 -5.316 1.00 0.00 C ATOM 0 H LEU A 40 0.877 -5.123 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 40 1.872 -4.339 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.211 -6.117 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.023 -4.618 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.994 -4.462 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.883 -4.350 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.129 -5.962 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.792 -4.832 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.529 -2.338 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.390 -2.742 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.211 -2.482 -5.912 1.00 0.00 H new ATOM 266 N THR A 41 2.888 -7.047 -7.265 1.00 0.00 N ATOM 267 CA THR A 41 3.840 -8.129 -7.323 1.00 0.00 C ATOM 268 C THR A 41 5.277 -7.607 -7.300 1.00 0.00 C ATOM 269 O THR A 41 6.194 -8.391 -7.075 1.00 0.00 O ATOM 270 CB THR A 41 3.520 -8.888 -8.619 1.00 0.00 C ATOM 271 OG1 THR A 41 3.157 -7.949 -9.623 1.00 0.00 O ATOM 272 CG2 THR A 41 2.314 -9.806 -8.399 1.00 0.00 C ATOM 0 H THR A 41 2.476 -6.870 -8.181 1.00 0.00 H new ATOM 0 HA THR A 41 3.762 -8.785 -6.456 1.00 0.00 H new ATOM 0 HB THR A 41 4.394 -9.469 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.952 -8.423 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.092 -10.342 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.541 -10.522 -7.609 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.450 -9.208 -8.109 1.00 0.00 H new ATOM 280 N GLY A 42 5.477 -6.298 -7.488 1.00 0.00 N ATOM 281 CA GLY A 42 6.754 -5.645 -7.277 1.00 0.00 C ATOM 282 C GLY A 42 7.500 -5.464 -8.592 1.00 0.00 C ATOM 283 O GLY A 42 8.346 -6.283 -8.942 1.00 0.00 O ATOM 0 H GLY A 42 4.741 -5.662 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.596 -4.674 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.359 -6.236 -6.590 1.00 0.00 H new ATOM 287 N ALA A 43 7.176 -4.395 -9.328 1.00 0.00 N ATOM 288 CA ALA A 43 7.843 -4.064 -10.582 1.00 0.00 C ATOM 289 C ALA A 43 9.049 -3.154 -10.329 1.00 0.00 C ATOM 290 O ALA A 43 10.189 -3.608 -10.366 1.00 0.00 O ATOM 291 CB ALA A 43 6.838 -3.440 -11.553 1.00 0.00 C ATOM 0 H ALA A 43 6.442 -3.737 -9.066 1.00 0.00 H new ATOM 0 HA ALA A 43 8.227 -4.975 -11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.340 -3.194 -12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.033 -4.148 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.424 -2.532 -11.114 1.00 0.00 H new ATOM 297 N SER A 44 8.802 -1.865 -10.078 1.00 0.00 N ATOM 298 CA SER A 44 9.832 -0.864 -9.810 1.00 0.00 C ATOM 299 C SER A 44 10.062 -0.687 -8.305 1.00 0.00 C ATOM 300 O SER A 44 10.810 0.203 -7.903 1.00 0.00 O ATOM 301 CB SER A 44 9.436 0.472 -10.450 1.00 0.00 C ATOM 302 OG SER A 44 10.552 1.339 -10.468 1.00 0.00 O ATOM 0 H SER A 44 7.857 -1.482 -10.056 1.00 0.00 H new ATOM 0 HA SER A 44 10.768 -1.211 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.074 0.307 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.619 0.927 -9.890 1.00 0.00 H new ATOM 0 HG SER A 44 11.034 1.269 -9.618 1.00 0.00 H new ATOM 308 N ALA A 45 9.354 -1.467 -7.488 1.00 0.00 N ATOM 309 CA ALA A 45 9.335 -1.440 -6.038 1.00 0.00 C ATOM 310 C ALA A 45 9.149 -2.898 -5.606 1.00 0.00 C ATOM 311 O ALA A 45 8.741 -3.701 -6.446 1.00 0.00 O ATOM 312 CB ALA A 45 8.158 -0.560 -5.617 1.00 0.00 C ATOM 0 H ALA A 45 8.734 -2.187 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 45 10.238 -1.034 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.109 -0.514 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.294 0.445 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.231 -0.983 -6.004 1.00 0.00 H new ATOM 318 N PRO A 46 9.443 -3.279 -4.355 1.00 0.00 N ATOM 319 CA PRO A 46 9.270 -4.651 -3.906 1.00 0.00 C ATOM 320 C PRO A 46 7.794 -5.061 -3.895 1.00 0.00 C ATOM 321 O PRO A 46 6.889 -4.226 -3.968 1.00 0.00 O ATOM 322 CB PRO A 46 9.903 -4.717 -2.512 1.00 0.00 C ATOM 323 CG PRO A 46 9.816 -3.275 -2.019 1.00 0.00 C ATOM 324 CD PRO A 46 10.005 -2.459 -3.298 1.00 0.00 C ATOM 0 HA PRO A 46 9.751 -5.356 -4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.362 -5.400 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.935 -5.066 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.856 -3.068 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.588 -3.054 -1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.495 -1.498 -3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.059 -2.249 -3.480 1.00 0.00 H new ATOM 332 N ALA A 47 7.564 -6.373 -3.813 1.00 0.00 N ATOM 333 CA ALA A 47 6.239 -6.965 -3.808 1.00 0.00 C ATOM 334 C ALA A 47 5.503 -6.568 -2.533 1.00 0.00 C ATOM 335 O ALA A 47 5.965 -6.903 -1.443 1.00 0.00 O ATOM 336 CB ALA A 47 6.365 -8.491 -3.891 1.00 0.00 C ATOM 0 H ALA A 47 8.314 -7.061 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 47 5.673 -6.604 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.371 -8.939 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.883 -8.764 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.931 -8.857 -3.034 1.00 0.00 H new ATOM 342 N ILE A 48 4.356 -5.891 -2.659 1.00 0.00 N ATOM 343 CA ILE A 48 3.500 -5.584 -1.517 1.00 0.00 C ATOM 344 C ILE A 48 2.173 -6.334 -1.558 1.00 0.00 C ATOM 345 O ILE A 48 1.454 -6.329 -0.565 1.00 0.00 O ATOM 346 CB ILE A 48 3.405 -4.075 -1.214 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.957 -3.154 -2.353 1.00 0.00 C ATOM 348 CG2 ILE A 48 4.780 -3.588 -0.784 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.466 -2.856 -2.269 1.00 0.00 C ATOM 0 H ILE A 48 4.001 -5.545 -3.550 1.00 0.00 H new ATOM 0 HA ILE A 48 3.998 -5.983 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 48 2.626 -4.009 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.519 -2.221 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.183 -3.621 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.736 -2.521 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.095 -4.129 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.496 -3.764 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.179 -2.200 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.904 -3.788 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.246 -2.366 -1.320 1.00 0.00 H new ATOM 361 N ASP A 49 1.896 -7.113 -2.607 1.00 0.00 N ATOM 362 CA ASP A 49 0.810 -8.090 -2.583 1.00 0.00 C ATOM 363 C ASP A 49 0.844 -8.973 -1.316 1.00 0.00 C ATOM 364 O ASP A 49 -0.207 -9.344 -0.804 1.00 0.00 O ATOM 365 CB ASP A 49 0.775 -8.870 -3.916 1.00 0.00 C ATOM 366 CG ASP A 49 0.514 -10.365 -3.797 1.00 0.00 C ATOM 367 OD1 ASP A 49 -0.626 -10.762 -3.471 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.445 -11.168 -4.022 1.00 0.00 O ATOM 0 H ASP A 49 2.413 -7.084 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.143 -7.567 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.004 -8.434 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.727 -8.725 -4.426 1.00 0.00 H new ATOM 373 N LYS A 50 2.039 -9.277 -0.783 1.00 0.00 N ATOM 374 CA LYS A 50 2.223 -10.053 0.453 1.00 0.00 C ATOM 375 C LYS A 50 2.556 -9.170 1.659 1.00 0.00 C ATOM 376 O LYS A 50 2.800 -9.686 2.752 1.00 0.00 O ATOM 377 CB LYS A 50 3.254 -11.188 0.265 1.00 0.00 C ATOM 378 CG LYS A 50 2.566 -12.529 -0.036 1.00 0.00 C ATOM 379 CD LYS A 50 1.929 -12.468 -1.422 1.00 0.00 C ATOM 380 CE LYS A 50 0.865 -13.525 -1.712 1.00 0.00 C ATOM 381 NZ LYS A 50 0.206 -13.187 -2.989 1.00 0.00 N ATOM 0 H LYS A 50 2.919 -8.985 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 50 1.263 -10.520 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.932 -10.934 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.861 -11.283 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.291 -13.341 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.807 -12.739 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.481 -11.483 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.718 -12.560 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.319 -14.514 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.133 -13.557 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.275 -14.029 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.491 -12.431 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.919 -12.862 -3.673 1.00 0.00 H new ATOM 395 N ALA A 51 2.581 -7.845 1.497 1.00 0.00 N ATOM 396 CA ALA A 51 2.880 -6.961 2.609 1.00 0.00 C ATOM 397 C ALA A 51 1.937 -7.214 3.780 1.00 0.00 C ATOM 398 O ALA A 51 2.421 -7.218 4.900 1.00 0.00 O ATOM 399 CB ALA A 51 2.896 -5.493 2.196 1.00 0.00 C ATOM 0 H ALA A 51 2.399 -7.371 0.612 1.00 0.00 H new ATOM 0 HA ALA A 51 3.891 -7.194 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.124 -4.873 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.656 -5.339 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.919 -5.216 1.799 1.00 0.00 H new ATOM 405 N GLY A 52 0.643 -7.494 3.572 1.00 0.00 N ATOM 406 CA GLY A 52 -0.224 -7.859 4.683 1.00 0.00 C ATOM 407 C GLY A 52 0.235 -9.097 5.462 1.00 0.00 C ATOM 408 O GLY A 52 -0.119 -9.254 6.628 1.00 0.00 O ATOM 0 H GLY A 52 0.187 -7.474 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.289 -7.015 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.229 -8.037 4.301 1.00 0.00 H new ATOM 412 N ALA A 53 0.971 -10.008 4.815 1.00 0.00 N ATOM 413 CA ALA A 53 1.523 -11.185 5.472 1.00 0.00 C ATOM 414 C ALA A 53 2.785 -10.804 6.247 1.00 0.00 C ATOM 415 O ALA A 53 2.957 -11.211 7.392 1.00 0.00 O ATOM 416 CB ALA A 53 1.824 -12.278 4.439 1.00 0.00 C ATOM 0 H ALA A 53 1.197 -9.945 3.822 1.00 0.00 H new ATOM 0 HA ALA A 53 0.790 -11.578 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.236 -13.152 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.904 -12.556 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.546 -11.904 3.713 1.00 0.00 H new ATOM 422 N ASN A 54 3.682 -10.050 5.604 1.00 0.00 N ATOM 423 CA ASN A 54 4.989 -9.726 6.174 1.00 0.00 C ATOM 424 C ASN A 54 4.883 -8.676 7.280 1.00 0.00 C ATOM 425 O ASN A 54 5.545 -8.791 8.308 1.00 0.00 O ATOM 426 CB ASN A 54 5.937 -9.208 5.083 1.00 0.00 C ATOM 427 CG ASN A 54 6.338 -10.279 4.072 1.00 0.00 C ATOM 428 OD1 ASN A 54 6.338 -11.469 4.364 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.698 -9.864 2.860 1.00 0.00 N ATOM 0 H ASN A 54 3.522 -9.650 4.679 1.00 0.00 H new ATOM 0 HA ASN A 54 5.385 -10.645 6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.457 -8.383 4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.835 -8.807 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.981 -10.542 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.690 -8.868 2.639 1.00 0.00 H new ATOM 436 N TYR A 55 4.100 -7.629 7.025 1.00 0.00 N ATOM 437 CA TYR A 55 3.953 -6.436 7.842 1.00 0.00 C ATOM 438 C TYR A 55 2.479 -6.250 8.215 1.00 0.00 C ATOM 439 O TYR A 55 1.585 -6.750 7.534 1.00 0.00 O ATOM 440 CB TYR A 55 4.452 -5.213 7.053 1.00 0.00 C ATOM 441 CG TYR A 55 5.904 -5.235 6.606 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.917 -5.661 7.488 1.00 0.00 C ATOM 443 CD2 TYR A 55 6.260 -4.681 5.360 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.267 -5.586 7.105 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.613 -4.585 4.988 1.00 0.00 C ATOM 446 CZ TYR A 55 8.616 -5.033 5.863 1.00 0.00 C ATOM 447 OH TYR A 55 9.926 -4.920 5.509 1.00 0.00 O ATOM 0 H TYR A 55 3.517 -7.594 6.189 1.00 0.00 H new ATOM 0 HA TYR A 55 4.541 -6.541 8.753 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.825 -5.100 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.299 -4.326 7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.655 -6.047 8.462 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.491 -4.329 4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.037 -5.954 7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.881 -4.167 4.029 1.00 0.00 H new ATOM 0 HH TYR A 55 9.990 -4.518 4.618 1.00 0.00 H new ATOM 457 N SER A 56 2.219 -5.524 9.298 1.00 0.00 N ATOM 458 CA SER A 56 0.878 -5.294 9.808 1.00 0.00 C ATOM 459 C SER A 56 0.260 -4.043 9.179 1.00 0.00 C ATOM 460 O SER A 56 0.953 -3.209 8.591 1.00 0.00 O ATOM 461 CB SER A 56 0.940 -5.205 11.335 1.00 0.00 C ATOM 462 OG SER A 56 1.301 -6.464 11.867 1.00 0.00 O ATOM 0 H SER A 56 2.947 -5.074 9.852 1.00 0.00 H new ATOM 0 HA SER A 56 0.229 -6.126 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.665 -4.449 11.637 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.027 -4.895 11.731 1.00 0.00 H new ATOM 0 HG SER A 56 1.342 -6.406 12.844 1.00 0.00 H new ATOM 468 N GLU A 57 -1.066 -3.915 9.307 1.00 0.00 N ATOM 469 CA GLU A 57 -1.814 -2.805 8.734 1.00 0.00 C ATOM 470 C GLU A 57 -1.201 -1.472 9.188 1.00 0.00 C ATOM 471 O GLU A 57 -0.941 -0.607 8.360 1.00 0.00 O ATOM 472 CB GLU A 57 -3.325 -2.983 8.991 1.00 0.00 C ATOM 473 CG GLU A 57 -3.848 -2.544 10.365 1.00 0.00 C ATOM 474 CD GLU A 57 -4.217 -1.065 10.376 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.107 -0.707 9.577 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.597 -0.327 11.170 1.00 0.00 O ATOM 0 H GLU A 57 -1.646 -4.584 9.814 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.730 -2.793 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.868 -2.426 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.572 -4.036 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.721 -3.140 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.089 -2.736 11.123 1.00 0.00 H new ATOM 483 N GLU A 58 -0.870 -1.367 10.477 1.00 0.00 N ATOM 484 CA GLU A 58 -0.177 -0.243 11.091 1.00 0.00 C ATOM 485 C GLU A 58 1.086 0.154 10.313 1.00 0.00 C ATOM 486 O GLU A 58 1.249 1.314 9.938 1.00 0.00 O ATOM 487 CB GLU A 58 0.111 -0.569 12.569 1.00 0.00 C ATOM 488 CG GLU A 58 0.792 -1.930 12.805 1.00 0.00 C ATOM 489 CD GLU A 58 0.927 -2.269 14.283 1.00 0.00 C ATOM 490 OE1 GLU A 58 1.374 -1.380 15.038 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.585 -3.423 14.621 1.00 0.00 O ATOM 0 H GLU A 58 -1.091 -2.101 11.149 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.823 0.634 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.744 0.216 12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.828 -0.547 13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.217 -2.711 12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.781 -1.922 12.346 1.00 0.00 H new ATOM 498 N GLU A 59 1.978 -0.803 10.053 1.00 0.00 N ATOM 499 CA GLU A 59 3.229 -0.565 9.347 1.00 0.00 C ATOM 500 C GLU A 59 2.940 -0.016 7.951 1.00 0.00 C ATOM 501 O GLU A 59 3.524 0.978 7.524 1.00 0.00 O ATOM 502 CB GLU A 59 4.014 -1.878 9.248 1.00 0.00 C ATOM 503 CG GLU A 59 4.534 -2.357 10.605 1.00 0.00 C ATOM 504 CD GLU A 59 5.222 -3.704 10.452 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.481 -4.707 10.507 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.452 -3.705 10.237 1.00 0.00 O ATOM 0 H GLU A 59 1.847 -1.775 10.332 1.00 0.00 H new ATOM 0 HA GLU A 59 3.823 0.167 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.374 -2.648 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.855 -1.744 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.232 -1.627 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.708 -2.439 11.312 1.00 0.00 H new ATOM 513 N ILE A 60 2.034 -0.678 7.233 1.00 0.00 N ATOM 514 CA ILE A 60 1.692 -0.324 5.861 1.00 0.00 C ATOM 515 C ILE A 60 1.128 1.098 5.860 1.00 0.00 C ATOM 516 O ILE A 60 1.600 1.960 5.121 1.00 0.00 O ATOM 517 CB ILE A 60 0.709 -1.365 5.284 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.365 -2.759 5.253 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.230 -0.989 3.874 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.358 -3.898 5.086 1.00 0.00 C ATOM 0 H ILE A 60 1.515 -1.480 7.591 1.00 0.00 H new ATOM 0 HA ILE A 60 2.570 -0.338 5.215 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.162 -1.382 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.084 -2.796 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.924 -2.910 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.459 -1.750 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.278 -0.025 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.087 -0.924 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.886 -4.851 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.347 -3.886 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.184 -3.770 4.149 1.00 0.00 H new ATOM 532 N LEU A 61 0.132 1.343 6.711 1.00 0.00 N ATOM 533 CA LEU A 61 -0.505 2.633 6.916 1.00 0.00 C ATOM 534 C LEU A 61 0.548 3.708 7.118 1.00 0.00 C ATOM 535 O LEU A 61 0.590 4.699 6.386 1.00 0.00 O ATOM 536 CB LEU A 61 -1.413 2.546 8.151 1.00 0.00 C ATOM 537 CG LEU A 61 -2.257 3.798 8.439 1.00 0.00 C ATOM 538 CD1 LEU A 61 -2.909 4.372 7.181 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.350 3.447 9.452 1.00 0.00 C ATOM 0 H LEU A 61 -0.267 0.612 7.300 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.099 2.893 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.085 1.696 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.793 2.338 9.023 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.584 4.558 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.492 5.254 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.136 4.649 6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.564 3.623 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.951 4.332 9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.987 2.663 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.891 3.096 10.376 1.00 0.00 H new ATOM 551 N ASP A 62 1.411 3.493 8.113 1.00 0.00 N ATOM 552 CA ASP A 62 2.438 4.461 8.432 1.00 0.00 C ATOM 553 C ASP A 62 3.303 4.688 7.197 1.00 0.00 C ATOM 554 O ASP A 62 3.509 5.826 6.790 1.00 0.00 O ATOM 555 CB ASP A 62 3.255 4.015 9.645 1.00 0.00 C ATOM 556 CG ASP A 62 4.191 5.133 10.076 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.670 6.150 10.593 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.404 4.987 9.826 1.00 0.00 O ATOM 0 H ASP A 62 1.412 2.661 8.702 1.00 0.00 H new ATOM 0 HA ASP A 62 1.980 5.410 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.589 3.750 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.830 3.122 9.399 1.00 0.00 H new ATOM 563 N ILE A 63 3.724 3.615 6.530 1.00 0.00 N ATOM 564 CA ILE A 63 4.572 3.704 5.348 1.00 0.00 C ATOM 565 C ILE A 63 3.893 4.506 4.232 1.00 0.00 C ATOM 566 O ILE A 63 4.561 5.281 3.555 1.00 0.00 O ATOM 567 CB ILE A 63 5.009 2.290 4.915 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.238 1.879 5.744 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.289 2.193 3.412 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.560 0.383 5.648 1.00 0.00 C ATOM 0 H ILE A 63 3.485 2.660 6.796 1.00 0.00 H new ATOM 0 HA ILE A 63 5.478 4.260 5.590 1.00 0.00 H new ATOM 0 HB ILE A 63 4.187 1.600 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.102 2.452 5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.068 2.141 6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.593 1.176 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.387 2.448 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.087 2.886 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.437 0.160 6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.711 -0.196 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.761 0.120 4.610 1.00 0.00 H new ATOM 582 N ILE A 64 2.585 4.363 4.025 1.00 0.00 N ATOM 583 CA ILE A 64 1.863 5.185 3.054 1.00 0.00 C ATOM 584 C ILE A 64 1.924 6.655 3.474 1.00 0.00 C ATOM 585 O ILE A 64 2.254 7.545 2.685 1.00 0.00 O ATOM 586 CB ILE A 64 0.406 4.709 2.955 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.370 3.297 2.360 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.440 5.678 2.118 1.00 0.00 C ATOM 589 CD1 ILE A 64 -1.024 2.688 2.504 1.00 0.00 C ATOM 0 H ILE A 64 2.003 3.685 4.517 1.00 0.00 H new ATOM 0 HA ILE A 64 2.329 5.085 2.074 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.025 4.686 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.650 3.333 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.102 2.666 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.466 5.314 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.428 6.665 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.028 5.745 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.029 1.686 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.290 2.633 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.749 3.310 1.979 1.00 0.00 H new ATOM 601 N LEU A 65 1.552 6.910 4.726 1.00 0.00 N ATOM 602 CA LEU A 65 1.451 8.256 5.258 1.00 0.00 C ATOM 603 C LEU A 65 2.824 8.953 5.290 1.00 0.00 C ATOM 604 O LEU A 65 2.889 10.168 5.110 1.00 0.00 O ATOM 605 CB LEU A 65 0.813 8.185 6.651 1.00 0.00 C ATOM 606 CG LEU A 65 -0.641 7.659 6.685 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.984 7.290 8.132 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.631 8.709 6.200 1.00 0.00 C ATOM 0 H LEU A 65 1.312 6.182 5.399 1.00 0.00 H new ATOM 0 HA LEU A 65 0.819 8.860 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.429 7.544 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.832 9.181 7.093 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.713 6.795 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.007 6.916 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.299 6.518 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.891 8.173 8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.641 8.302 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.570 9.590 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.391 8.988 5.174 1.00 0.00 H new ATOM 620 N ASN A 66 3.900 8.193 5.523 1.00 0.00 N ATOM 621 CA ASN A 66 5.258 8.674 5.791 1.00 0.00 C ATOM 622 C ASN A 66 6.147 8.614 4.552 1.00 0.00 C ATOM 623 O ASN A 66 6.918 9.537 4.306 1.00 0.00 O ATOM 624 CB ASN A 66 5.921 7.818 6.883 1.00 0.00 C ATOM 625 CG ASN A 66 5.434 8.155 8.289 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.161 8.744 9.083 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.201 7.776 8.594 1.00 0.00 N ATOM 0 H ASN A 66 3.843 7.175 5.530 1.00 0.00 H new ATOM 0 HA ASN A 66 5.160 9.712 6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.724 6.765 6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.001 7.955 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.822 7.972 9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.632 7.288 7.902 1.00 0.00 H new ATOM 634 N GLY A 67 6.067 7.511 3.806 1.00 0.00 N ATOM 635 CA GLY A 67 6.970 7.168 2.718 1.00 0.00 C ATOM 636 C GLY A 67 8.070 6.230 3.222 1.00 0.00 C ATOM 637 O GLY A 67 8.930 6.651 3.994 1.00 0.00 O ATOM 0 H GLY A 67 5.342 6.809 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.415 6.689 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.415 8.073 2.305 1.00 0.00 H new ATOM 641 N GLN A 68 8.066 4.962 2.786 1.00 0.00 N ATOM 642 CA GLN A 68 9.257 4.112 2.878 1.00 0.00 C ATOM 643 C GLN A 68 10.404 4.857 2.166 1.00 0.00 C ATOM 644 O GLN A 68 10.150 5.530 1.180 1.00 0.00 O ATOM 645 CB GLN A 68 8.973 2.738 2.221 1.00 0.00 C ATOM 646 CG GLN A 68 10.216 1.883 1.969 1.00 0.00 C ATOM 647 CD GLN A 68 11.032 1.497 3.196 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.468 2.351 3.963 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.288 0.206 3.367 1.00 0.00 N ATOM 0 H GLN A 68 7.255 4.506 2.369 1.00 0.00 H new ATOM 0 HA GLN A 68 9.532 3.920 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.288 2.180 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.463 2.902 1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.905 0.969 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.868 2.422 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.911 -0.480 2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.861 -0.100 4.153 1.00 0.00 H new ATOM 658 N GLY A 69 11.653 4.735 2.625 1.00 0.00 N ATOM 659 CA GLY A 69 12.846 5.431 2.129 1.00 0.00 C ATOM 660 C GLY A 69 12.728 6.154 0.774 1.00 0.00 C ATOM 661 O GLY A 69 12.693 7.381 0.729 1.00 0.00 O ATOM 0 H GLY A 69 11.873 4.110 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.145 6.164 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.655 4.704 2.054 1.00 0.00 H new ATOM 665 N GLY A 70 12.715 5.404 -0.335 1.00 0.00 N ATOM 666 CA GLY A 70 12.709 5.967 -1.688 1.00 0.00 C ATOM 667 C GLY A 70 11.309 6.324 -2.203 1.00 0.00 C ATOM 668 O GLY A 70 11.166 6.973 -3.238 1.00 0.00 O ATOM 0 H GLY A 70 12.708 4.384 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.330 6.862 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.166 5.251 -2.371 1.00 0.00 H new ATOM 672 N MET A 71 10.274 5.864 -1.508 1.00 0.00 N ATOM 673 CA MET A 71 8.875 6.007 -1.861 1.00 0.00 C ATOM 674 C MET A 71 8.334 7.324 -1.289 1.00 0.00 C ATOM 675 O MET A 71 8.596 7.629 -0.127 1.00 0.00 O ATOM 676 CB MET A 71 8.177 4.796 -1.244 1.00 0.00 C ATOM 677 CG MET A 71 6.659 4.810 -1.233 1.00 0.00 C ATOM 678 SD MET A 71 6.067 3.307 -0.432 1.00 0.00 S ATOM 679 CE MET A 71 4.520 3.953 0.261 1.00 0.00 C ATOM 0 H MET A 71 10.401 5.353 -0.634 1.00 0.00 H new ATOM 0 HA MET A 71 8.711 6.042 -2.938 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.504 3.906 -1.781 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.523 4.693 -0.215 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.294 5.689 -0.702 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.275 4.871 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.970 3.143 0.740 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.745 4.724 0.998 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.914 4.380 -0.538 1.00 0.00 H new ATOM 689 N PRO A 72 7.563 8.111 -2.056 1.00 0.00 N ATOM 690 CA PRO A 72 6.981 9.337 -1.538 1.00 0.00 C ATOM 691 C PRO A 72 5.987 9.038 -0.408 1.00 0.00 C ATOM 692 O PRO A 72 5.464 7.931 -0.297 1.00 0.00 O ATOM 693 CB PRO A 72 6.349 10.048 -2.740 1.00 0.00 C ATOM 694 CG PRO A 72 6.185 8.967 -3.810 1.00 0.00 C ATOM 695 CD PRO A 72 7.219 7.898 -3.449 1.00 0.00 C ATOM 0 HA PRO A 72 7.727 9.987 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.388 10.488 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.984 10.859 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.175 8.557 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.363 9.368 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.812 6.898 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.101 7.982 -4.084 1.00 0.00 H new ATOM 703 N GLY A 73 5.732 10.034 0.441 1.00 0.00 N ATOM 704 CA GLY A 73 4.902 9.918 1.620 1.00 0.00 C ATOM 705 C GLY A 73 3.660 10.770 1.443 1.00 0.00 C ATOM 706 O GLY A 73 3.695 11.812 0.790 1.00 0.00 O ATOM 0 H GLY A 73 6.115 10.971 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.623 8.877 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.456 10.240 2.502 1.00 0.00 H new ATOM 710 N GLY A 74 2.553 10.309 2.013 1.00 0.00 N ATOM 711 CA GLY A 74 1.271 10.985 1.912 1.00 0.00 C ATOM 712 C GLY A 74 0.683 10.832 0.511 1.00 0.00 C ATOM 713 O GLY A 74 -0.130 11.649 0.088 1.00 0.00 O ATOM 0 H GLY A 74 2.522 9.450 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.580 10.574 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.394 12.043 2.146 1.00 0.00 H new ATOM 717 N ILE A 75 1.061 9.753 -0.182 1.00 0.00 N ATOM 718 CA ILE A 75 0.492 9.352 -1.465 1.00 0.00 C ATOM 719 C ILE A 75 -1.025 9.206 -1.324 1.00 0.00 C ATOM 720 O ILE A 75 -1.778 9.499 -2.253 1.00 0.00 O ATOM 721 CB ILE A 75 1.142 8.028 -1.904 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.654 8.214 -2.126 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.471 7.478 -3.169 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.342 6.882 -2.438 1.00 0.00 C ATOM 0 H ILE A 75 1.791 9.120 0.146 1.00 0.00 H new ATOM 0 HA ILE A 75 0.690 10.107 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 75 0.999 7.300 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.819 8.912 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.102 8.657 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.950 6.542 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.586 7.299 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.572 8.201 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.408 7.050 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.197 6.194 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.911 6.453 -3.342 1.00 0.00 H new ATOM 736 N ALA A 76 -1.454 8.733 -0.152 1.00 0.00 N ATOM 737 CA ALA A 76 -2.833 8.661 0.275 1.00 0.00 C ATOM 738 C ALA A 76 -2.840 9.061 1.748 1.00 0.00 C ATOM 739 O ALA A 76 -1.817 8.887 2.415 1.00 0.00 O ATOM 740 CB ALA A 76 -3.326 7.226 0.076 1.00 0.00 C ATOM 0 H ALA A 76 -0.809 8.375 0.552 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.492 9.319 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.366 7.151 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.248 6.957 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.716 6.546 0.670 1.00 0.00 H new ATOM 746 N LYS A 77 -3.942 9.620 2.263 1.00 0.00 N ATOM 747 CA LYS A 77 -4.071 9.988 3.663 1.00 0.00 C ATOM 748 C LYS A 77 -5.491 9.733 4.180 1.00 0.00 C ATOM 749 O LYS A 77 -6.430 9.559 3.403 1.00 0.00 O ATOM 750 CB LYS A 77 -3.638 11.449 3.860 1.00 0.00 C ATOM 751 CG LYS A 77 -2.117 11.634 3.711 1.00 0.00 C ATOM 752 CD LYS A 77 -1.612 13.000 4.209 1.00 0.00 C ATOM 753 CE LYS A 77 -0.408 12.874 5.161 1.00 0.00 C ATOM 754 NZ LYS A 77 -0.798 12.431 6.516 1.00 0.00 N ATOM 0 H LYS A 77 -4.772 9.828 1.708 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.409 9.356 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.151 12.079 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.947 11.787 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.607 10.844 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.846 11.516 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.331 13.614 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.423 13.519 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.308 12.166 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.099 13.837 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.024 12.010 6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.136 13.247 7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.557 11.723 6.445 1.00 0.00 H new ATOM 768 N GLY A 78 -5.634 9.689 5.510 1.00 0.00 N ATOM 769 CA GLY A 78 -6.898 9.425 6.182 1.00 0.00 C ATOM 770 C GLY A 78 -7.521 8.128 5.674 1.00 0.00 C ATOM 771 O GLY A 78 -6.807 7.154 5.428 1.00 0.00 O ATOM 0 H GLY A 78 -4.858 9.839 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.736 9.359 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.585 10.254 6.013 1.00 0.00 H new ATOM 775 N ALA A 79 -8.838 8.165 5.428 1.00 0.00 N ATOM 776 CA ALA A 79 -9.609 7.055 4.887 1.00 0.00 C ATOM 777 C ALA A 79 -8.906 6.390 3.707 1.00 0.00 C ATOM 778 O ALA A 79 -8.993 5.178 3.554 1.00 0.00 O ATOM 779 CB ALA A 79 -11.000 7.533 4.464 1.00 0.00 C ATOM 0 H ALA A 79 -9.405 8.994 5.607 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.704 6.310 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.566 6.693 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.523 7.942 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.903 8.305 3.700 1.00 0.00 H new ATOM 785 N GLU A 80 -8.218 7.167 2.867 1.00 0.00 N ATOM 786 CA GLU A 80 -7.515 6.631 1.719 1.00 0.00 C ATOM 787 C GLU A 80 -6.413 5.668 2.184 1.00 0.00 C ATOM 788 O GLU A 80 -6.402 4.503 1.791 1.00 0.00 O ATOM 789 CB GLU A 80 -6.999 7.805 0.876 1.00 0.00 C ATOM 790 CG GLU A 80 -6.710 7.441 -0.584 1.00 0.00 C ATOM 791 CD GLU A 80 -6.093 8.603 -1.347 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.815 9.640 -0.712 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.907 8.428 -2.573 1.00 0.00 O ATOM 0 H GLU A 80 -8.138 8.179 2.970 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.176 6.041 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.735 8.609 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.088 8.193 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.036 6.585 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.636 7.137 -1.072 1.00 0.00 H new ATOM 800 N ALA A 81 -5.497 6.125 3.048 1.00 0.00 N ATOM 801 CA ALA A 81 -4.413 5.285 3.519 1.00 0.00 C ATOM 802 C ALA A 81 -4.956 4.152 4.388 1.00 0.00 C ATOM 803 O ALA A 81 -4.512 3.017 4.251 1.00 0.00 O ATOM 804 CB ALA A 81 -3.390 6.136 4.266 1.00 0.00 C ATOM 0 H ALA A 81 -5.494 7.071 3.428 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.911 4.826 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.577 5.501 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.992 6.898 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.870 6.618 5.118 1.00 0.00 H new ATOM 810 N GLU A 82 -5.917 4.444 5.269 1.00 0.00 N ATOM 811 CA GLU A 82 -6.547 3.442 6.124 1.00 0.00 C ATOM 812 C GLU A 82 -7.179 2.327 5.288 1.00 0.00 C ATOM 813 O GLU A 82 -6.979 1.144 5.564 1.00 0.00 O ATOM 814 CB GLU A 82 -7.613 4.113 6.993 1.00 0.00 C ATOM 815 CG GLU A 82 -6.993 4.977 8.095 1.00 0.00 C ATOM 816 CD GLU A 82 -8.073 5.783 8.803 1.00 0.00 C ATOM 817 OE1 GLU A 82 -8.970 5.138 9.385 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.001 7.029 8.712 1.00 0.00 O ATOM 0 H GLU A 82 -6.279 5.387 5.407 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.783 2.995 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.256 4.731 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.247 3.349 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.472 4.344 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.250 5.649 7.665 1.00 0.00 H new ATOM 825 N ALA A 83 -7.942 2.709 4.259 1.00 0.00 N ATOM 826 CA ALA A 83 -8.536 1.769 3.325 1.00 0.00 C ATOM 827 C ALA A 83 -7.447 0.843 2.796 1.00 0.00 C ATOM 828 O ALA A 83 -7.603 -0.378 2.858 1.00 0.00 O ATOM 829 CB ALA A 83 -9.258 2.513 2.195 1.00 0.00 C ATOM 0 H ALA A 83 -8.161 3.684 4.056 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.288 1.164 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.696 1.791 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.046 3.137 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.546 3.140 1.659 1.00 0.00 H new ATOM 835 N VAL A 84 -6.326 1.413 2.329 1.00 0.00 N ATOM 836 CA VAL A 84 -5.207 0.573 1.941 1.00 0.00 C ATOM 837 C VAL A 84 -4.776 -0.326 3.093 1.00 0.00 C ATOM 838 O VAL A 84 -4.720 -1.527 2.904 1.00 0.00 O ATOM 839 CB VAL A 84 -3.977 1.332 1.432 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.973 0.261 0.986 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.280 2.296 0.285 1.00 0.00 C ATOM 0 H VAL A 84 -6.181 2.416 2.217 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.588 -0.013 1.104 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.587 1.965 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.070 0.743 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.719 -0.376 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.415 -0.346 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.362 2.797 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.690 1.740 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.005 3.039 0.616 1.00 0.00 H new ATOM 851 N ALA A 85 -4.418 0.229 4.249 1.00 0.00 N ATOM 852 CA ALA A 85 -3.899 -0.534 5.376 1.00 0.00 C ATOM 853 C ALA A 85 -4.741 -1.786 5.612 1.00 0.00 C ATOM 854 O ALA A 85 -4.227 -2.903 5.563 1.00 0.00 O ATOM 855 CB ALA A 85 -3.882 0.359 6.614 1.00 0.00 C ATOM 0 H ALA A 85 -4.482 1.231 4.429 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.882 -0.862 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.495 -0.204 7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.244 1.223 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.895 0.696 6.834 1.00 0.00 H new ATOM 861 N ALA A 86 -6.048 -1.594 5.805 1.00 0.00 N ATOM 862 CA ALA A 86 -6.980 -2.684 6.032 1.00 0.00 C ATOM 863 C ALA A 86 -6.977 -3.672 4.861 1.00 0.00 C ATOM 864 O ALA A 86 -6.794 -4.872 5.060 1.00 0.00 O ATOM 865 CB ALA A 86 -8.378 -2.111 6.282 1.00 0.00 C ATOM 0 H ALA A 86 -6.484 -0.672 5.807 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.667 -3.243 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.080 -2.927 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.354 -1.463 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.696 -1.535 5.413 1.00 0.00 H new ATOM 871 N TRP A 87 -7.189 -3.182 3.639 1.00 0.00 N ATOM 872 CA TRP A 87 -7.287 -4.037 2.462 1.00 0.00 C ATOM 873 C TRP A 87 -5.979 -4.799 2.217 1.00 0.00 C ATOM 874 O TRP A 87 -5.962 -6.018 2.112 1.00 0.00 O ATOM 875 CB TRP A 87 -7.673 -3.169 1.266 1.00 0.00 C ATOM 876 CG TRP A 87 -7.586 -3.816 -0.080 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.565 -4.492 -0.725 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.468 -3.774 -1.009 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.069 -5.014 -1.902 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.780 -4.588 -2.135 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.219 -3.119 -1.045 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.857 -4.755 -3.175 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.478 -3.105 -2.242 1.00 0.00 C ATOM 884 CH2 TRP A 87 -5.022 -3.673 -3.395 1.00 0.00 C ATOM 0 H TRP A 87 -7.297 -2.187 3.441 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.055 -4.794 2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.695 -2.821 1.412 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.033 -2.287 1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.579 -4.606 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.590 -5.636 -2.520 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.834 -2.632 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.801 -5.660 -3.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.495 -2.658 -2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.808 -3.297 -4.384 1.00 0.00 H new ATOM 895 N LEU A 88 -4.861 -4.091 2.115 1.00 0.00 N ATOM 896 CA LEU A 88 -3.558 -4.691 1.895 1.00 0.00 C ATOM 897 C LEU A 88 -3.246 -5.691 3.008 1.00 0.00 C ATOM 898 O LEU A 88 -2.743 -6.777 2.731 1.00 0.00 O ATOM 899 CB LEU A 88 -2.465 -3.623 1.755 1.00 0.00 C ATOM 900 CG LEU A 88 -1.602 -3.841 0.501 1.00 0.00 C ATOM 901 CD1 LEU A 88 -1.507 -2.583 -0.344 1.00 0.00 C ATOM 902 CD2 LEU A 88 -0.211 -4.268 0.860 1.00 0.00 C ATOM 0 H LEU A 88 -4.837 -3.074 2.184 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.580 -5.236 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.926 -2.636 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.829 -3.638 2.640 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.095 -4.627 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.889 -2.779 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.505 -2.283 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.059 -1.782 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.371 -4.413 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.259 -3.499 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.250 -5.203 1.419 1.00 0.00 H new ATOM 914 N ALA A 89 -3.584 -5.357 4.260 1.00 0.00 N ATOM 915 CA ALA A 89 -3.509 -6.322 5.343 1.00 0.00 C ATOM 916 C ALA A 89 -4.339 -7.565 5.028 1.00 0.00 C ATOM 917 O ALA A 89 -3.825 -8.674 5.117 1.00 0.00 O ATOM 918 CB ALA A 89 -3.893 -5.691 6.678 1.00 0.00 C ATOM 0 H ALA A 89 -3.909 -4.431 4.538 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.472 -6.645 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.826 -6.440 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.214 -4.868 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.914 -5.313 6.622 1.00 0.00 H new ATOM 924 N GLU A 90 -5.604 -7.410 4.629 1.00 0.00 N ATOM 925 CA GLU A 90 -6.478 -8.552 4.372 1.00 0.00 C ATOM 926 C GLU A 90 -6.114 -9.283 3.067 1.00 0.00 C ATOM 927 O GLU A 90 -6.574 -10.397 2.841 1.00 0.00 O ATOM 928 CB GLU A 90 -7.954 -8.127 4.501 1.00 0.00 C ATOM 929 CG GLU A 90 -8.648 -7.689 3.201 1.00 0.00 C ATOM 930 CD GLU A 90 -9.289 -8.835 2.422 1.00 0.00 C ATOM 931 OE1 GLU A 90 -10.072 -9.578 3.052 1.00 0.00 O ATOM 932 OE2 GLU A 90 -9.016 -8.915 1.204 1.00 0.00 O ATOM 0 H GLU A 90 -6.044 -6.502 4.477 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.318 -9.311 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.515 -8.960 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.013 -7.306 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.415 -6.953 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.918 -7.192 2.562 1.00 0.00 H new ATOM 939 N LYS A 91 -5.210 -8.712 2.258 1.00 0.00 N ATOM 940 CA LYS A 91 -4.756 -9.277 0.991 1.00 0.00 C ATOM 941 C LYS A 91 -3.936 -10.557 1.235 1.00 0.00 C ATOM 942 O LYS A 91 -3.716 -11.349 0.323 1.00 0.00 O ATOM 943 CB LYS A 91 -3.938 -8.181 0.269 1.00 0.00 C ATOM 944 CG LYS A 91 -4.250 -7.891 -1.206 1.00 0.00 C ATOM 945 CD LYS A 91 -3.252 -8.520 -2.177 1.00 0.00 C ATOM 946 CE LYS A 91 -3.354 -10.043 -2.134 1.00 0.00 C ATOM 947 NZ LYS A 91 -3.201 -10.641 -3.470 1.00 0.00 N ATOM 0 H LYS A 91 -4.766 -7.820 2.478 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.597 -9.573 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.065 -7.252 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.885 -8.453 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.250 -8.259 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.264 -6.812 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.446 -8.165 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.239 -8.210 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.587 -10.440 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.319 -10.331 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.631 -11.588 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.673 -10.040 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.190 -10.718 -3.702 1.00 0.00 H new ATOM 961 N LYS A 92 -3.479 -10.758 2.467 1.00 0.00 N ATOM 962 CA LYS A 92 -2.421 -11.687 2.816 1.00 0.00 C ATOM 963 C LYS A 92 -2.838 -13.153 2.670 1.00 0.00 C ATOM 964 O LYS A 92 -4.000 -13.471 3.008 1.00 0.00 O ATOM 965 CB LYS A 92 -2.064 -11.378 4.267 1.00 0.00 C ATOM 966 CG LYS A 92 -3.230 -11.661 5.236 1.00 0.00 C ATOM 967 CD LYS A 92 -2.993 -11.097 6.641 1.00 0.00 C ATOM 968 CE LYS A 92 -4.347 -10.900 7.340 1.00 0.00 C ATOM 969 NZ LYS A 92 -4.185 -10.465 8.741 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.960 -13.941 2.254 1.00 0.00 O ATOM 0 H LYS A 92 -3.851 -10.259 3.275 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.576 -11.561 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.200 -11.974 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.772 -10.331 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.146 -11.233 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.385 -12.738 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.367 -11.778 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.460 -10.148 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.932 -10.159 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.909 -11.834 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.121 -10.343 9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.648 -11.183 9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.671 -9.561 8.767 1.00 0.00 H new