USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 743 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 7 SER OG : rot 180:sc= 0.00315 USER MOD Single : A 9 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc=-0.00198 (180deg=-0.117) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.58) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 38 THR OG1 : rot -98:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 24:sc= 0.603 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.948 F(o=-1.8!,f=-0.95) USER MOD Single : B 7 SER OG : rot 180:sc= -0.413 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.172 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.5) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 38 THR OG1 : rot 40:sc= 0.0517 USER MOD Single : B 45 THR OG1 : rot 180:sc= -0.332 USER MOD Single : B 49 GLN :FLIP amide:sc= -0.541 F(o=-2.1!,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 16 N ARG A 3 3.520 -2.257 0.635 1.00 0.00 N ATOM 17 CA ARG A 3 4.916 -2.534 0.955 1.00 0.00 C ATOM 18 C ARG A 3 5.507 -3.545 -0.023 1.00 0.00 C ATOM 19 O ARG A 3 4.810 -4.436 -0.509 1.00 0.00 O ATOM 20 CB ARG A 3 5.039 -3.061 2.386 1.00 0.00 C ATOM 21 CG ARG A 3 6.431 -3.562 2.732 1.00 0.00 C ATOM 22 CD ARG A 3 6.556 -5.061 2.505 1.00 0.00 C ATOM 23 NE ARG A 3 7.110 -5.747 3.669 1.00 0.00 N ATOM 24 CZ ARG A 3 6.413 -6.003 4.771 1.00 0.00 C ATOM 25 NH1 ARG A 3 5.143 -5.633 4.857 1.00 0.00 N ATOM 26 NH2 ARG A 3 6.987 -6.632 5.789 1.00 0.00 N ATOM 0 HA ARG A 3 5.474 -1.602 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.764 -2.268 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.324 -3.872 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.169 -3.038 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.654 -3.331 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.575 -5.475 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.192 -5.245 1.639 1.00 0.00 H new ATOM 0 HE ARG A 3 8.085 -6.046 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.698 -5.151 4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.610 -5.831 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.964 -6.919 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.451 -6.828 6.635 1.00 0.00 H new ATOM 40 N VAL A 4 6.797 -3.399 -0.309 1.00 0.00 N ATOM 41 CA VAL A 4 7.483 -4.299 -1.229 1.00 0.00 C ATOM 42 C VAL A 4 8.799 -4.792 -0.637 1.00 0.00 C ATOM 43 O VAL A 4 9.653 -3.995 -0.248 1.00 0.00 O ATOM 44 CB VAL A 4 7.764 -3.614 -2.580 1.00 0.00 C ATOM 45 CG1 VAL A 4 8.456 -4.577 -3.533 1.00 0.00 C ATOM 46 CG2 VAL A 4 6.474 -3.085 -3.187 1.00 0.00 C ATOM 0 H VAL A 4 7.388 -2.666 0.083 1.00 0.00 H new ATOM 0 HA VAL A 4 6.821 -5.149 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 4 8.431 -2.769 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.647 -4.076 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.401 -4.903 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.817 -5.444 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.691 -2.604 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.781 -3.911 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.024 -2.360 -2.509 1.00 0.00 H new ATOM 56 N ARG A 5 8.956 -6.110 -0.573 1.00 0.00 N ATOM 57 CA ARG A 5 10.168 -6.709 -0.028 1.00 0.00 C ATOM 58 C ARG A 5 10.724 -7.768 -0.975 1.00 0.00 C ATOM 59 O ARG A 5 10.043 -8.738 -1.307 1.00 0.00 O ATOM 60 CB ARG A 5 9.884 -7.332 1.340 1.00 0.00 C ATOM 61 CG ARG A 5 11.039 -8.156 1.886 1.00 0.00 C ATOM 62 CD ARG A 5 10.658 -9.621 2.032 1.00 0.00 C ATOM 63 NE ARG A 5 10.290 -9.956 3.405 1.00 0.00 N ATOM 64 CZ ARG A 5 10.102 -11.199 3.833 1.00 0.00 C ATOM 65 NH1 ARG A 5 10.249 -12.220 3.000 1.00 0.00 N ATOM 66 NH2 ARG A 5 9.769 -11.424 5.098 1.00 0.00 N ATOM 0 H ARG A 5 8.259 -6.783 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 5 10.913 -5.921 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.648 -6.539 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.000 -7.966 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.898 -8.067 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.344 -7.760 2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.824 -9.847 1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.494 -10.246 1.718 1.00 0.00 H new ATOM 0 HE ARG A 5 10.171 -9.193 4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.507 -12.052 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.104 -13.174 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.657 -10.642 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.625 -12.379 5.425 1.00 0.00 H new ATOM 80 N ILE A 6 11.966 -7.574 -1.408 1.00 0.00 N ATOM 81 CA ILE A 6 12.613 -8.512 -2.316 1.00 0.00 C ATOM 82 C ILE A 6 13.883 -9.088 -1.698 1.00 0.00 C ATOM 83 O ILE A 6 14.775 -8.348 -1.283 1.00 0.00 O ATOM 84 CB ILE A 6 12.967 -7.843 -3.658 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.716 -7.232 -4.292 1.00 0.00 C ATOM 86 CG2 ILE A 6 13.606 -8.852 -4.600 1.00 0.00 C ATOM 87 CD1 ILE A 6 11.997 -6.474 -5.571 1.00 0.00 C ATOM 0 H ILE A 6 12.543 -6.776 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 6 11.902 -9.318 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 6 13.685 -7.044 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.999 -8.026 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.247 -6.558 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.850 -8.365 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.517 -9.246 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.909 -9.670 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.066 -6.068 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.690 -5.658 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.438 -7.149 -6.305 1.00 0.00 H new ATOM 99 N SER A 7 13.958 -10.414 -1.642 1.00 0.00 N ATOM 100 CA SER A 7 15.118 -11.090 -1.073 1.00 0.00 C ATOM 101 C SER A 7 15.901 -11.828 -2.155 1.00 0.00 C ATOM 102 O SER A 7 15.346 -12.645 -2.891 1.00 0.00 O ATOM 103 CB SER A 7 14.679 -12.073 0.014 1.00 0.00 C ATOM 104 OG SER A 7 13.293 -12.350 -0.078 1.00 0.00 O ATOM 0 H SER A 7 13.230 -11.041 -1.984 1.00 0.00 H new ATOM 0 HA SER A 7 15.767 -10.335 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.245 -13.000 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.906 -11.659 0.996 1.00 0.00 H new ATOM 0 HG SER A 7 13.038 -12.982 0.626 1.00 0.00 H new ATOM 110 N ILE A 8 17.194 -11.533 -2.245 1.00 0.00 N ATOM 111 CA ILE A 8 18.054 -12.169 -3.236 1.00 0.00 C ATOM 112 C ILE A 8 19.055 -13.109 -2.572 1.00 0.00 C ATOM 113 O ILE A 8 19.668 -12.768 -1.560 1.00 0.00 O ATOM 114 CB ILE A 8 18.822 -11.124 -4.068 1.00 0.00 C ATOM 115 CG1 ILE A 8 19.856 -10.407 -3.197 1.00 0.00 C ATOM 116 CG2 ILE A 8 17.855 -10.124 -4.684 1.00 0.00 C ATOM 117 CD1 ILE A 8 20.511 -9.229 -3.884 1.00 0.00 C ATOM 0 H ILE A 8 17.668 -10.859 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 8 17.404 -12.742 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 8 19.347 -11.636 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 8 19.373 -10.062 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 8 20.626 -11.119 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 8 18.412 -9.392 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 8 17.153 -10.649 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 8 17.306 -9.614 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 8 21.232 -8.769 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 8 21.023 -9.571 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 8 19.750 -8.497 -4.156 1.00 0.00 H new ATOM 129 N THR A 9 19.218 -14.295 -3.151 1.00 0.00 N ATOM 130 CA THR A 9 20.144 -15.285 -2.617 1.00 0.00 C ATOM 131 C THR A 9 21.331 -15.489 -3.552 1.00 0.00 C ATOM 132 O THR A 9 21.270 -16.295 -4.479 1.00 0.00 O ATOM 133 CB THR A 9 19.448 -16.639 -2.386 1.00 0.00 C ATOM 134 OG1 THR A 9 18.101 -16.587 -2.870 1.00 0.00 O ATOM 135 CG2 THR A 9 19.448 -17.004 -0.909 1.00 0.00 C ATOM 0 H THR A 9 18.720 -14.593 -3.990 1.00 0.00 H new ATOM 0 HA THR A 9 20.500 -14.901 -1.661 1.00 0.00 H new ATOM 0 HB THR A 9 20.001 -17.403 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.618 -17.389 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.951 -17.964 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 9 20.475 -17.073 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 9 18.918 -16.237 -0.345 1.00 0.00 H new ATOM 143 N ALA A 10 22.408 -14.752 -3.303 1.00 0.00 N ATOM 144 CA ALA A 10 23.610 -14.855 -4.122 1.00 0.00 C ATOM 145 C ALA A 10 24.691 -15.663 -3.412 1.00 0.00 C ATOM 146 O ALA A 10 24.576 -15.962 -2.223 1.00 0.00 O ATOM 147 CB ALA A 10 24.129 -13.468 -4.472 1.00 0.00 C ATOM 0 H ALA A 10 22.473 -14.077 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 10 23.350 -15.377 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 10 25.027 -13.559 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 10 23.365 -12.923 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 10 24.367 -12.927 -3.556 1.00 0.00 H new ATOM 153 N ARG A 11 25.740 -16.013 -4.148 1.00 0.00 N ATOM 154 CA ARG A 11 26.841 -16.789 -3.589 1.00 0.00 C ATOM 155 C ARG A 11 27.729 -15.915 -2.708 1.00 0.00 C ATOM 156 O ARG A 11 27.806 -16.112 -1.494 1.00 0.00 O ATOM 157 CB ARG A 11 27.674 -17.414 -4.709 1.00 0.00 C ATOM 158 CG ARG A 11 28.602 -18.520 -4.234 1.00 0.00 C ATOM 159 CD ARG A 11 29.359 -19.149 -5.394 1.00 0.00 C ATOM 160 NE ARG A 11 30.688 -19.604 -4.996 1.00 0.00 N ATOM 161 CZ ARG A 11 31.601 -20.046 -5.855 1.00 0.00 C ATOM 162 NH1 ARG A 11 31.329 -20.090 -7.152 1.00 0.00 N ATOM 163 NH2 ARG A 11 32.788 -20.443 -5.416 1.00 0.00 N ATOM 0 H ARG A 11 25.851 -15.772 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 11 26.417 -17.583 -2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 11 27.003 -17.816 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 11 28.267 -16.634 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 29.311 -18.116 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 11 28.023 -19.286 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 11 28.789 -19.992 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 11 29.451 -18.424 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 11 30.929 -19.581 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 11 30.417 -19.784 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 11 32.031 -20.430 -7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 11 33.000 -20.409 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 11 33.488 -20.782 -6.075 1.00 0.00 H new ATOM 177 N THR A 12 28.400 -14.948 -3.326 1.00 0.00 N ATOM 178 CA THR A 12 29.283 -14.045 -2.600 1.00 0.00 C ATOM 179 C THR A 12 28.592 -12.719 -2.304 1.00 0.00 C ATOM 180 O THR A 12 27.598 -12.369 -2.941 1.00 0.00 O ATOM 181 CB THR A 12 30.578 -13.771 -3.388 1.00 0.00 C ATOM 182 OG1 THR A 12 31.362 -12.780 -2.714 1.00 0.00 O ATOM 183 CG2 THR A 12 30.263 -13.301 -4.800 1.00 0.00 C ATOM 0 H THR A 12 28.348 -14.770 -4.329 1.00 0.00 H new ATOM 0 HA THR A 12 29.535 -14.538 -1.661 1.00 0.00 H new ATOM 0 HB THR A 12 31.143 -14.701 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 12 32.184 -12.613 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 12 31.193 -13.114 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.692 -14.070 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 12 29.678 -12.382 -4.756 1.00 0.00 H new ATOM 191 N LYS A 13 29.124 -11.983 -1.333 1.00 0.00 N ATOM 192 CA LYS A 13 28.559 -10.694 -0.954 1.00 0.00 C ATOM 193 C LYS A 13 28.616 -9.711 -2.119 1.00 0.00 C ATOM 194 O LYS A 13 27.672 -8.955 -2.353 1.00 0.00 O ATOM 195 CB LYS A 13 29.312 -10.119 0.249 1.00 0.00 C ATOM 196 CG LYS A 13 30.810 -9.997 0.028 1.00 0.00 C ATOM 197 CD LYS A 13 31.569 -9.998 1.344 1.00 0.00 C ATOM 198 CE LYS A 13 33.067 -10.143 1.123 1.00 0.00 C ATOM 199 NZ LYS A 13 33.433 -11.519 0.685 1.00 0.00 N ATOM 0 H LYS A 13 29.946 -12.258 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 13 27.515 -10.848 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.907 -9.135 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.132 -10.753 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.156 -10.823 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 13 31.025 -9.077 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 13 31.367 -9.072 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 13 31.212 -10.815 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.395 -9.424 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.595 -9.903 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 34.465 -11.638 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 32.970 -12.215 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 33.120 -11.666 -0.296 1.00 0.00 H new ATOM 213 N LYS A 14 29.727 -9.726 -2.847 1.00 0.00 N ATOM 214 CA LYS A 14 29.906 -8.839 -3.990 1.00 0.00 C ATOM 215 C LYS A 14 28.799 -9.048 -5.019 1.00 0.00 C ATOM 216 O LYS A 14 28.371 -8.104 -5.683 1.00 0.00 O ATOM 217 CB LYS A 14 31.271 -9.077 -4.638 1.00 0.00 C ATOM 218 CG LYS A 14 32.435 -8.553 -3.815 1.00 0.00 C ATOM 219 CD LYS A 14 32.429 -7.035 -3.744 1.00 0.00 C ATOM 220 CE LYS A 14 31.995 -6.543 -2.372 1.00 0.00 C ATOM 221 NZ LYS A 14 32.689 -5.282 -1.989 1.00 0.00 N ATOM 0 H LYS A 14 30.518 -10.344 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 14 29.856 -7.811 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 14 31.405 -10.146 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.286 -8.601 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 14 32.384 -8.965 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 14 33.374 -8.894 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 14 33.426 -6.655 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 14 31.757 -6.637 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.917 -6.380 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 14 32.203 -7.312 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.366 -4.980 -1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.716 -5.444 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 32.471 -4.540 -2.685 1.00 0.00 H new ATOM 235 N GLU A 15 28.341 -10.289 -5.145 1.00 0.00 N ATOM 236 CA GLU A 15 27.284 -10.620 -6.094 1.00 0.00 C ATOM 237 C GLU A 15 25.965 -9.970 -5.686 1.00 0.00 C ATOM 238 O GLU A 15 25.321 -9.292 -6.487 1.00 0.00 O ATOM 239 CB GLU A 15 27.110 -12.137 -6.189 1.00 0.00 C ATOM 240 CG GLU A 15 28.018 -12.790 -7.217 1.00 0.00 C ATOM 241 CD GLU A 15 27.392 -12.845 -8.597 1.00 0.00 C ATOM 242 OE1 GLU A 15 26.343 -13.505 -8.747 1.00 0.00 O ATOM 243 OE2 GLU A 15 27.952 -12.228 -9.528 1.00 0.00 O ATOM 0 H GLU A 15 28.685 -11.081 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 15 27.573 -10.233 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.305 -12.579 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.073 -12.360 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.957 -12.238 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.261 -13.802 -6.892 1.00 0.00 H new ATOM 250 N ALA A 16 25.568 -10.184 -4.436 1.00 0.00 N ATOM 251 CA ALA A 16 24.327 -9.619 -3.921 1.00 0.00 C ATOM 252 C ALA A 16 24.345 -8.096 -3.996 1.00 0.00 C ATOM 253 O ALA A 16 23.342 -7.471 -4.340 1.00 0.00 O ATOM 254 CB ALA A 16 24.093 -10.076 -2.489 1.00 0.00 C ATOM 0 H ALA A 16 26.088 -10.745 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 16 23.507 -9.978 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.163 -9.646 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.027 -11.164 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.921 -9.746 -1.862 1.00 0.00 H new ATOM 260 N GLU A 17 25.490 -7.505 -3.671 1.00 0.00 N ATOM 261 CA GLU A 17 25.637 -6.054 -3.701 1.00 0.00 C ATOM 262 C GLU A 17 25.332 -5.505 -5.092 1.00 0.00 C ATOM 263 O GLU A 17 24.702 -4.457 -5.234 1.00 0.00 O ATOM 264 CB GLU A 17 27.052 -5.653 -3.281 1.00 0.00 C ATOM 265 CG GLU A 17 27.107 -4.913 -1.956 1.00 0.00 C ATOM 266 CD GLU A 17 26.945 -3.414 -2.118 1.00 0.00 C ATOM 267 OE1 GLU A 17 27.944 -2.740 -2.446 1.00 0.00 O ATOM 268 OE2 GLU A 17 25.818 -2.915 -1.916 1.00 0.00 O ATOM 0 H GLU A 17 26.330 -8.008 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 17 24.923 -5.628 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.669 -6.549 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.488 -5.024 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.322 -5.291 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.059 -5.121 -1.467 1.00 0.00 H new ATOM 275 N LYS A 18 25.784 -6.220 -6.116 1.00 0.00 N ATOM 276 CA LYS A 18 25.560 -5.807 -7.496 1.00 0.00 C ATOM 277 C LYS A 18 24.070 -5.764 -7.817 1.00 0.00 C ATOM 278 O LYS A 18 23.603 -4.873 -8.527 1.00 0.00 O ATOM 279 CB LYS A 18 26.272 -6.762 -8.458 1.00 0.00 C ATOM 280 CG LYS A 18 27.771 -6.851 -8.228 1.00 0.00 C ATOM 281 CD LYS A 18 28.542 -6.054 -9.267 1.00 0.00 C ATOM 282 CE LYS A 18 30.038 -6.313 -9.171 1.00 0.00 C ATOM 283 NZ LYS A 18 30.555 -7.027 -10.371 1.00 0.00 N ATOM 0 H LYS A 18 26.308 -7.089 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 18 25.969 -4.804 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.838 -7.757 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.089 -6.436 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.010 -6.479 -7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.084 -7.894 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.189 -6.317 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.346 -4.990 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 18 30.564 -5.365 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 18 30.248 -6.903 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 31.578 -7.185 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 30.071 -7.943 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 30.378 -6.453 -11.220 1.00 0.00 H new ATOM 297 N PHE A 19 23.327 -6.731 -7.288 1.00 0.00 N ATOM 298 CA PHE A 19 21.889 -6.802 -7.517 1.00 0.00 C ATOM 299 C PHE A 19 21.165 -5.672 -6.792 1.00 0.00 C ATOM 300 O PHE A 19 20.287 -5.020 -7.355 1.00 0.00 O ATOM 301 CB PHE A 19 21.343 -8.154 -7.051 1.00 0.00 C ATOM 302 CG PHE A 19 21.527 -9.254 -8.057 1.00 0.00 C ATOM 303 CD1 PHE A 19 20.659 -9.381 -9.130 1.00 0.00 C ATOM 304 CD2 PHE A 19 22.568 -10.159 -7.931 1.00 0.00 C ATOM 305 CE1 PHE A 19 20.826 -10.393 -10.057 1.00 0.00 C ATOM 306 CE2 PHE A 19 22.740 -11.173 -8.855 1.00 0.00 C ATOM 307 CZ PHE A 19 21.868 -11.289 -9.920 1.00 0.00 C ATOM 0 H PHE A 19 23.697 -7.476 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 19 21.712 -6.695 -8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.838 -8.436 -6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 19 20.281 -8.051 -6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.844 -8.682 -9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 19 23.254 -10.072 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 19 20.142 -10.483 -10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 19 23.555 -11.873 -8.744 1.00 0.00 H new ATOM 0 HZ PHE A 19 22.001 -12.079 -10.644 1.00 0.00 H new ATOM 317 N ALA A 20 21.541 -5.446 -5.537 1.00 0.00 N ATOM 318 CA ALA A 20 20.930 -4.394 -4.734 1.00 0.00 C ATOM 319 C ALA A 20 21.039 -3.040 -5.428 1.00 0.00 C ATOM 320 O ALA A 20 20.083 -2.267 -5.454 1.00 0.00 O ATOM 321 CB ALA A 20 21.577 -4.337 -3.358 1.00 0.00 C ATOM 0 H ALA A 20 22.266 -5.978 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 20 19.872 -4.629 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.111 -3.547 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.443 -5.293 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.642 -4.130 -3.465 1.00 0.00 H new ATOM 327 N ALA A 21 22.211 -2.761 -5.989 1.00 0.00 N ATOM 328 CA ALA A 21 22.444 -1.501 -6.684 1.00 0.00 C ATOM 329 C ALA A 21 21.354 -1.233 -7.716 1.00 0.00 C ATOM 330 O ALA A 21 20.823 -0.126 -7.798 1.00 0.00 O ATOM 331 CB ALA A 21 23.813 -1.510 -7.349 1.00 0.00 C ATOM 0 H ALA A 21 23.014 -3.390 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 21 22.415 -0.698 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 23.973 -0.563 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 21 24.585 -1.646 -6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 21 23.863 -2.327 -8.068 1.00 0.00 H new ATOM 337 N ILE A 22 21.026 -2.254 -8.501 1.00 0.00 N ATOM 338 CA ILE A 22 19.999 -2.128 -9.528 1.00 0.00 C ATOM 339 C ILE A 22 18.615 -1.974 -8.905 1.00 0.00 C ATOM 340 O ILE A 22 17.854 -1.078 -9.270 1.00 0.00 O ATOM 341 CB ILE A 22 19.993 -3.346 -10.470 1.00 0.00 C ATOM 342 CG1 ILE A 22 21.355 -3.500 -11.149 1.00 0.00 C ATOM 343 CG2 ILE A 22 18.890 -3.206 -11.510 1.00 0.00 C ATOM 344 CD1 ILE A 22 21.721 -4.937 -11.451 1.00 0.00 C ATOM 0 H ILE A 22 21.456 -3.177 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 22 20.237 -1.234 -10.105 1.00 0.00 H new ATOM 0 HB ILE A 22 19.799 -4.242 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.355 -2.931 -12.078 1.00 0.00 H new ATOM 0 HG13 ILE A 22 22.122 -3.065 -10.509 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.898 -4.075 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.924 -3.140 -11.009 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.057 -2.303 -12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.699 -4.970 -11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 22 21.754 -5.507 -10.522 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.975 -5.370 -12.117 1.00 0.00 H new ATOM 356 N LEU A 23 18.297 -2.853 -7.961 1.00 0.00 N ATOM 357 CA LEU A 23 17.005 -2.815 -7.285 1.00 0.00 C ATOM 358 C LEU A 23 16.725 -1.424 -6.724 1.00 0.00 C ATOM 359 O LEU A 23 15.600 -0.928 -6.800 1.00 0.00 O ATOM 360 CB LEU A 23 16.966 -3.849 -6.158 1.00 0.00 C ATOM 361 CG LEU A 23 16.069 -5.065 -6.393 1.00 0.00 C ATOM 362 CD1 LEU A 23 14.605 -4.653 -6.407 1.00 0.00 C ATOM 363 CD2 LEU A 23 16.442 -5.759 -7.695 1.00 0.00 C ATOM 0 H LEU A 23 18.916 -3.600 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 23 16.233 -3.054 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 23 17.982 -4.201 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 23 16.637 -3.351 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 23 16.220 -5.768 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.982 -5.531 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.345 -4.202 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.438 -3.931 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.794 -6.622 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.320 -5.064 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.480 -6.089 -7.647 1.00 0.00 H new ATOM 375 N ILE A 24 17.755 -0.800 -6.163 1.00 0.00 N ATOM 376 CA ILE A 24 17.620 0.535 -5.593 1.00 0.00 C ATOM 377 C ILE A 24 17.153 1.537 -6.644 1.00 0.00 C ATOM 378 O ILE A 24 16.290 2.374 -6.379 1.00 0.00 O ATOM 379 CB ILE A 24 18.949 1.025 -4.987 1.00 0.00 C ATOM 380 CG1 ILE A 24 19.391 0.097 -3.854 1.00 0.00 C ATOM 381 CG2 ILE A 24 18.806 2.454 -4.483 1.00 0.00 C ATOM 382 CD1 ILE A 24 20.892 -0.065 -3.757 1.00 0.00 C ATOM 0 H ILE A 24 18.692 -1.197 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 24 16.873 0.467 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 24 19.713 1.009 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.014 0.486 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 24 18.936 -0.883 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.753 2.786 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.532 3.106 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.031 2.494 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.133 -0.736 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.274 -0.483 -4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 24 21.352 0.907 -3.580 1.00 0.00 H new ATOM 394 N LYS A 25 17.728 1.445 -7.838 1.00 0.00 N ATOM 395 CA LYS A 25 17.370 2.340 -8.931 1.00 0.00 C ATOM 396 C LYS A 25 15.930 2.106 -9.377 1.00 0.00 C ATOM 397 O LYS A 25 15.187 3.054 -9.633 1.00 0.00 O ATOM 398 CB LYS A 25 18.320 2.140 -10.115 1.00 0.00 C ATOM 399 CG LYS A 25 19.785 2.317 -9.755 1.00 0.00 C ATOM 400 CD LYS A 25 20.275 3.717 -10.085 1.00 0.00 C ATOM 401 CE LYS A 25 19.536 4.771 -9.275 1.00 0.00 C ATOM 402 NZ LYS A 25 20.300 6.047 -9.197 1.00 0.00 N ATOM 0 H LYS A 25 18.445 0.759 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 25 17.459 3.365 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.173 1.140 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.060 2.847 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.925 2.123 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.384 1.584 -10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.344 3.786 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.137 3.911 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.561 4.958 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.354 4.394 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.763 6.739 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.220 5.874 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.451 6.420 -10.156 1.00 0.00 H new ATOM 416 N VAL A 26 15.541 0.838 -9.465 1.00 0.00 N ATOM 417 CA VAL A 26 14.189 0.480 -9.877 1.00 0.00 C ATOM 418 C VAL A 26 13.159 0.972 -8.866 1.00 0.00 C ATOM 419 O VAL A 26 12.089 1.455 -9.239 1.00 0.00 O ATOM 420 CB VAL A 26 14.039 -1.043 -10.046 1.00 0.00 C ATOM 421 CG1 VAL A 26 12.709 -1.379 -10.705 1.00 0.00 C ATOM 422 CG2 VAL A 26 15.200 -1.606 -10.853 1.00 0.00 C ATOM 0 H VAL A 26 16.143 0.042 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 26 14.012 0.964 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 26 14.055 -1.504 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.621 -2.460 -10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.892 -1.010 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.660 -0.908 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.078 -2.684 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.218 -1.140 -11.838 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.137 -1.398 -10.336 1.00 0.00 H new ATOM 432 N PHE A 27 13.488 0.846 -7.585 1.00 0.00 N ATOM 433 CA PHE A 27 12.591 1.277 -6.519 1.00 0.00 C ATOM 434 C PHE A 27 12.480 2.798 -6.483 1.00 0.00 C ATOM 435 O PHE A 27 11.392 3.349 -6.318 1.00 0.00 O ATOM 436 CB PHE A 27 13.085 0.758 -5.167 1.00 0.00 C ATOM 437 CG PHE A 27 12.534 -0.592 -4.805 1.00 0.00 C ATOM 438 CD1 PHE A 27 11.168 -0.790 -4.693 1.00 0.00 C ATOM 439 CD2 PHE A 27 13.384 -1.663 -4.578 1.00 0.00 C ATOM 440 CE1 PHE A 27 10.659 -2.031 -4.360 1.00 0.00 C ATOM 441 CE2 PHE A 27 12.881 -2.906 -4.245 1.00 0.00 C ATOM 442 CZ PHE A 27 11.517 -3.091 -4.137 1.00 0.00 C ATOM 0 H PHE A 27 14.369 0.449 -7.260 1.00 0.00 H new ATOM 0 HA PHE A 27 11.603 0.863 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.174 0.705 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 27 12.812 1.473 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.493 0.035 -4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.452 -1.524 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.592 -2.172 -4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 27 13.554 -3.732 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 27 11.121 -4.062 -3.879 1.00 0.00 H new ATOM 452 N ALA A 28 13.616 3.472 -6.639 1.00 0.00 N ATOM 453 CA ALA A 28 13.647 4.929 -6.626 1.00 0.00 C ATOM 454 C ALA A 28 12.841 5.506 -7.785 1.00 0.00 C ATOM 455 O ALA A 28 12.060 6.439 -7.604 1.00 0.00 O ATOM 456 CB ALA A 28 15.084 5.426 -6.681 1.00 0.00 C ATOM 0 H ALA A 28 14.526 3.032 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 28 13.191 5.269 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.093 6.516 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.632 5.051 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.558 5.068 -7.595 1.00 0.00 H new ATOM 462 N GLU A 29 13.037 4.944 -8.973 1.00 0.00 N ATOM 463 CA GLU A 29 12.329 5.405 -10.162 1.00 0.00 C ATOM 464 C GLU A 29 10.844 5.065 -10.076 1.00 0.00 C ATOM 465 O GLU A 29 10.021 5.644 -10.787 1.00 0.00 O ATOM 466 CB GLU A 29 12.935 4.779 -11.419 1.00 0.00 C ATOM 467 CG GLU A 29 12.385 3.398 -11.737 1.00 0.00 C ATOM 468 CD GLU A 29 11.366 3.421 -12.860 1.00 0.00 C ATOM 469 OE1 GLU A 29 10.807 4.503 -13.133 1.00 0.00 O ATOM 470 OE2 GLU A 29 11.128 2.355 -13.466 1.00 0.00 O ATOM 0 H GLU A 29 13.680 4.169 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 29 12.434 6.488 -10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.752 5.438 -12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.016 4.711 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.208 2.738 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.925 2.979 -10.842 1.00 0.00 H new ATOM 477 N LEU A 30 10.508 4.123 -9.201 1.00 0.00 N ATOM 478 CA LEU A 30 9.122 3.705 -9.021 1.00 0.00 C ATOM 479 C LEU A 30 8.444 4.523 -7.928 1.00 0.00 C ATOM 480 O LEU A 30 7.256 4.352 -7.656 1.00 0.00 O ATOM 481 CB LEU A 30 9.060 2.217 -8.674 1.00 0.00 C ATOM 482 CG LEU A 30 9.264 1.246 -9.837 1.00 0.00 C ATOM 483 CD1 LEU A 30 9.663 -0.128 -9.323 1.00 0.00 C ATOM 484 CD2 LEU A 30 8.003 1.155 -10.684 1.00 0.00 C ATOM 0 H LEU A 30 11.176 3.634 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 30 8.591 3.876 -9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.816 2.009 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.090 2.011 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 30 10.072 1.625 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.804 -0.805 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.594 -0.050 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.878 -0.515 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.167 0.459 -11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.176 0.801 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.762 2.140 -11.084 1.00 0.00 H new ATOM 496 N GLY A 31 9.207 5.416 -7.304 1.00 0.00 N ATOM 497 CA GLY A 31 8.661 6.250 -6.248 1.00 0.00 C ATOM 498 C GLY A 31 8.753 5.593 -4.885 1.00 0.00 C ATOM 499 O GLY A 31 8.122 6.043 -3.928 1.00 0.00 O ATOM 0 H GLY A 31 10.193 5.577 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.195 7.200 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.618 6.475 -6.470 1.00 0.00 H new ATOM 503 N TYR A 32 9.538 4.525 -4.797 1.00 0.00 N ATOM 504 CA TYR A 32 9.706 3.802 -3.541 1.00 0.00 C ATOM 505 C TYR A 32 10.940 4.294 -2.791 1.00 0.00 C ATOM 506 O TYR A 32 11.628 3.517 -2.129 1.00 0.00 O ATOM 507 CB TYR A 32 9.820 2.300 -3.805 1.00 0.00 C ATOM 508 CG TYR A 32 8.540 1.675 -4.313 1.00 0.00 C ATOM 509 CD1 TYR A 32 8.032 2.004 -5.563 1.00 0.00 C ATOM 510 CD2 TYR A 32 7.840 0.755 -3.542 1.00 0.00 C ATOM 511 CE1 TYR A 32 6.862 1.437 -6.031 1.00 0.00 C ATOM 512 CE2 TYR A 32 6.671 0.181 -4.003 1.00 0.00 C ATOM 513 CZ TYR A 32 6.186 0.526 -5.247 1.00 0.00 C ATOM 514 OH TYR A 32 5.021 -0.043 -5.710 1.00 0.00 O ATOM 0 H TYR A 32 10.068 4.141 -5.579 1.00 0.00 H new ATOM 0 HA TYR A 32 8.829 3.989 -2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.613 2.127 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.118 1.799 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.561 2.715 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.216 0.484 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.479 1.706 -7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.140 -0.534 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 32 4.670 -0.664 -5.038 1.00 0.00 H new ATOM 524 N ASN A 33 11.213 5.590 -2.900 1.00 0.00 N ATOM 525 CA ASN A 33 12.364 6.187 -2.232 1.00 0.00 C ATOM 526 C ASN A 33 12.404 5.792 -0.759 1.00 0.00 C ATOM 527 O ASN A 33 11.399 5.359 -0.194 1.00 0.00 O ATOM 528 CB ASN A 33 12.322 7.711 -2.362 1.00 0.00 C ATOM 529 CG ASN A 33 13.572 8.373 -1.815 1.00 0.00 C ATOM 530 OD1 ASN A 33 13.539 9.012 -0.763 1.00 0.00 O ATOM 531 ND2 ASN A 33 14.682 8.221 -2.527 1.00 0.00 N ATOM 0 H ASN A 33 10.653 6.247 -3.444 1.00 0.00 H new ATOM 0 HA ASN A 33 13.267 5.813 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.201 7.980 -3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.450 8.094 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.554 8.642 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.663 7.683 -3.393 1.00 0.00 H new ATOM 538 N ASP A 34 13.571 5.944 -0.142 1.00 0.00 N ATOM 539 CA ASP A 34 13.742 5.605 1.266 1.00 0.00 C ATOM 540 C ASP A 34 13.692 4.094 1.471 1.00 0.00 C ATOM 541 O ASP A 34 12.882 3.590 2.251 1.00 0.00 O ATOM 542 CB ASP A 34 12.661 6.283 2.110 1.00 0.00 C ATOM 543 CG ASP A 34 13.156 6.652 3.495 1.00 0.00 C ATOM 544 OD1 ASP A 34 13.126 5.779 4.388 1.00 0.00 O ATOM 545 OD2 ASP A 34 13.574 7.813 3.686 1.00 0.00 O ATOM 0 H ASP A 34 14.413 6.300 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 34 14.720 5.964 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.315 7.182 1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.803 5.617 2.199 1.00 0.00 H new ATOM 550 N ILE A 35 14.560 3.377 0.766 1.00 0.00 N ATOM 551 CA ILE A 35 14.615 1.925 0.871 1.00 0.00 C ATOM 552 C ILE A 35 15.520 1.490 2.019 1.00 0.00 C ATOM 553 O ILE A 35 16.491 2.169 2.348 1.00 0.00 O ATOM 554 CB ILE A 35 15.118 1.284 -0.436 1.00 0.00 C ATOM 555 CG1 ILE A 35 14.069 0.322 -0.996 1.00 0.00 C ATOM 556 CG2 ILE A 35 16.435 0.560 -0.197 1.00 0.00 C ATOM 557 CD1 ILE A 35 12.999 1.007 -1.817 1.00 0.00 C ATOM 0 H ILE A 35 15.235 3.779 0.115 1.00 0.00 H new ATOM 0 HA ILE A 35 13.598 1.585 1.065 1.00 0.00 H new ATOM 0 HB ILE A 35 15.286 2.073 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.566 -0.426 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.597 -0.210 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 35 16.778 0.112 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 35 17.181 1.270 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 35 16.291 -0.221 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 35 12.289 0.265 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 12.476 1.735 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.460 1.515 -2.664 1.00 0.00 H new ATOM 569 N ASN A 36 15.194 0.352 2.624 1.00 0.00 N ATOM 570 CA ASN A 36 15.979 -0.175 3.735 1.00 0.00 C ATOM 571 C ASN A 36 16.353 -1.634 3.493 1.00 0.00 C ATOM 572 O ASN A 36 15.486 -2.479 3.267 1.00 0.00 O ATOM 573 CB ASN A 36 15.197 -0.047 5.044 1.00 0.00 C ATOM 574 CG ASN A 36 15.487 1.255 5.766 1.00 0.00 C ATOM 575 OD1 ASN A 36 15.165 2.336 5.273 1.00 0.00 O ATOM 576 ND2 ASN A 36 16.099 1.156 6.940 1.00 0.00 N ATOM 0 H ASN A 36 14.392 -0.223 2.364 1.00 0.00 H new ATOM 0 HA ASN A 36 16.897 0.409 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.129 -0.113 4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.446 -0.884 5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.321 1.997 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.347 0.238 7.310 1.00 0.00 H new ATOM 583 N VAL A 37 17.649 -1.923 3.542 1.00 0.00 N ATOM 584 CA VAL A 37 18.139 -3.280 3.330 1.00 0.00 C ATOM 585 C VAL A 37 18.481 -3.954 4.654 1.00 0.00 C ATOM 586 O VAL A 37 19.084 -3.343 5.537 1.00 0.00 O ATOM 587 CB VAL A 37 19.384 -3.292 2.424 1.00 0.00 C ATOM 588 CG1 VAL A 37 20.556 -2.614 3.117 1.00 0.00 C ATOM 589 CG2 VAL A 37 19.741 -4.717 2.028 1.00 0.00 C ATOM 0 H VAL A 37 18.379 -1.235 3.727 1.00 0.00 H new ATOM 0 HA VAL A 37 17.337 -3.833 2.841 1.00 0.00 H new ATOM 0 HB VAL A 37 19.156 -2.733 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 37 21.427 -2.632 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.295 -1.581 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 37 20.787 -3.143 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 37 20.623 -4.707 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 37 19.950 -5.302 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.906 -5.165 1.488 1.00 0.00 H new ATOM 599 N THR A 38 18.091 -5.218 4.786 1.00 0.00 N ATOM 600 CA THR A 38 18.355 -5.976 6.003 1.00 0.00 C ATOM 601 C THR A 38 18.968 -7.334 5.682 1.00 0.00 C ATOM 602 O THR A 38 18.336 -8.176 5.045 1.00 0.00 O ATOM 603 CB THR A 38 17.069 -6.187 6.824 1.00 0.00 C ATOM 604 OG1 THR A 38 16.004 -6.610 5.965 1.00 0.00 O ATOM 605 CG2 THR A 38 16.669 -4.907 7.542 1.00 0.00 C ATOM 0 H THR A 38 17.591 -5.738 4.065 1.00 0.00 H new ATOM 0 HA THR A 38 19.061 -5.391 6.593 1.00 0.00 H new ATOM 0 HB THR A 38 17.263 -6.958 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.450 -5.838 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.758 -5.081 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.470 -4.603 8.216 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.492 -4.119 6.810 1.00 0.00 H new ATOM 613 N TRP A 39 20.202 -7.540 6.128 1.00 0.00 N ATOM 614 CA TRP A 39 20.901 -8.798 5.888 1.00 0.00 C ATOM 615 C TRP A 39 20.871 -9.682 7.130 1.00 0.00 C ATOM 616 O TRP A 39 20.974 -9.192 8.255 1.00 0.00 O ATOM 617 CB TRP A 39 22.348 -8.531 5.472 1.00 0.00 C ATOM 618 CG TRP A 39 23.106 -7.699 6.461 1.00 0.00 C ATOM 619 CD1 TRP A 39 23.178 -6.335 6.502 1.00 0.00 C ATOM 620 CD2 TRP A 39 23.901 -8.176 7.552 1.00 0.00 C ATOM 621 NE1 TRP A 39 23.970 -5.937 7.551 1.00 0.00 N ATOM 622 CE2 TRP A 39 24.425 -7.047 8.212 1.00 0.00 C ATOM 623 CE3 TRP A 39 24.220 -9.448 8.037 1.00 0.00 C ATOM 624 CZ2 TRP A 39 25.250 -7.154 9.328 1.00 0.00 C ATOM 625 CZ3 TRP A 39 25.039 -9.552 9.145 1.00 0.00 C ATOM 626 CH2 TRP A 39 25.546 -8.411 9.781 1.00 0.00 C ATOM 0 H TRP A 39 20.739 -6.853 6.657 1.00 0.00 H new ATOM 0 HA TRP A 39 20.389 -9.321 5.080 1.00 0.00 H new ATOM 0 HB2 TRP A 39 22.862 -9.483 5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 39 22.354 -8.028 4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.684 -5.668 5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 39 24.185 -4.971 7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 39 23.833 -10.333 7.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.643 -6.276 9.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 25.293 -10.530 9.527 1.00 0.00 H new ATOM 0 HH2 TRP A 39 26.183 -8.526 10.646 1.00 0.00 H new ATOM 668 N THR A 43 22.002 -13.814 3.510 1.00 0.00 N ATOM 669 CA THR A 43 20.936 -13.440 2.589 1.00 0.00 C ATOM 670 C THR A 43 20.541 -11.978 2.770 1.00 0.00 C ATOM 671 O THR A 43 20.234 -11.540 3.878 1.00 0.00 O ATOM 672 CB THR A 43 19.690 -14.324 2.784 1.00 0.00 C ATOM 673 OG1 THR A 43 20.068 -15.589 3.339 1.00 0.00 O ATOM 674 CG2 THR A 43 18.968 -14.540 1.462 1.00 0.00 C ATOM 0 HA THR A 43 21.323 -13.587 1.581 1.00 0.00 H new ATOM 0 HB THR A 43 19.014 -13.814 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 43 20.920 -15.496 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.091 -15.167 1.624 1.00 0.00 H new ATOM 0 HG22 THR A 43 18.656 -13.578 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.639 -15.030 0.757 1.00 0.00 H new ATOM 682 N VAL A 44 20.551 -11.228 1.673 1.00 0.00 N ATOM 683 CA VAL A 44 20.192 -9.815 1.710 1.00 0.00 C ATOM 684 C VAL A 44 18.778 -9.593 1.185 1.00 0.00 C ATOM 685 O VAL A 44 18.405 -10.115 0.133 1.00 0.00 O ATOM 686 CB VAL A 44 21.174 -8.964 0.883 1.00 0.00 C ATOM 687 CG1 VAL A 44 21.320 -9.531 -0.521 1.00 0.00 C ATOM 688 CG2 VAL A 44 20.715 -7.515 0.837 1.00 0.00 C ATOM 0 H VAL A 44 20.804 -11.575 0.748 1.00 0.00 H new ATOM 0 HA VAL A 44 20.242 -9.503 2.753 1.00 0.00 H new ATOM 0 HB VAL A 44 22.151 -8.996 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.017 -8.917 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.698 -10.552 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 44 20.349 -9.531 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 44 21.421 -6.928 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.727 -7.461 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 44 20.668 -7.116 1.850 1.00 0.00 H new ATOM 698 N THR A 45 17.993 -8.815 1.923 1.00 0.00 N ATOM 699 CA THR A 45 16.620 -8.524 1.533 1.00 0.00 C ATOM 700 C THR A 45 16.351 -7.023 1.545 1.00 0.00 C ATOM 701 O THR A 45 16.627 -6.340 2.531 1.00 0.00 O ATOM 702 CB THR A 45 15.611 -9.222 2.465 1.00 0.00 C ATOM 703 OG1 THR A 45 16.005 -10.581 2.684 1.00 0.00 O ATOM 704 CG2 THR A 45 14.211 -9.184 1.872 1.00 0.00 C ATOM 0 H THR A 45 18.286 -8.375 2.795 1.00 0.00 H new ATOM 0 HA THR A 45 16.492 -8.905 0.520 1.00 0.00 H new ATOM 0 HB THR A 45 15.600 -8.690 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.359 -11.017 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.516 -9.683 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.902 -8.148 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.210 -9.694 0.909 1.00 0.00 H new ATOM 712 N VAL A 46 15.810 -6.515 0.442 1.00 0.00 N ATOM 713 CA VAL A 46 15.502 -5.095 0.326 1.00 0.00 C ATOM 714 C VAL A 46 14.056 -4.813 0.717 1.00 0.00 C ATOM 715 O VAL A 46 13.149 -5.564 0.362 1.00 0.00 O ATOM 716 CB VAL A 46 15.743 -4.584 -1.107 1.00 0.00 C ATOM 717 CG1 VAL A 46 14.682 -5.124 -2.053 1.00 0.00 C ATOM 718 CG2 VAL A 46 15.767 -3.063 -1.132 1.00 0.00 C ATOM 0 H VAL A 46 15.576 -7.066 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 46 16.170 -4.569 1.009 1.00 0.00 H new ATOM 0 HB VAL A 46 16.714 -4.946 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.869 -4.752 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.718 -6.213 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.697 -4.794 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.938 -2.719 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 46 14.812 -2.678 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.568 -2.701 -0.487 1.00 0.00 H new ATOM 728 N GLU A 47 13.849 -3.724 1.451 1.00 0.00 N ATOM 729 CA GLU A 47 12.512 -3.342 1.891 1.00 0.00 C ATOM 730 C GLU A 47 12.190 -1.910 1.475 1.00 0.00 C ATOM 731 O GLU A 47 12.877 -0.968 1.868 1.00 0.00 O ATOM 732 CB GLU A 47 12.392 -3.482 3.410 1.00 0.00 C ATOM 733 CG GLU A 47 12.439 -4.922 3.895 1.00 0.00 C ATOM 734 CD GLU A 47 12.821 -5.032 5.358 1.00 0.00 C ATOM 735 OE1 GLU A 47 14.013 -4.845 5.677 1.00 0.00 O ATOM 736 OE2 GLU A 47 11.925 -5.307 6.185 1.00 0.00 O ATOM 0 H GLU A 47 14.590 -3.091 1.753 1.00 0.00 H new ATOM 0 HA GLU A 47 11.796 -4.010 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.199 -2.922 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.456 -3.028 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.464 -5.385 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.155 -5.481 3.293 1.00 0.00 H new ATOM 743 N GLY A 48 11.140 -1.755 0.674 1.00 0.00 N ATOM 744 CA GLY A 48 10.745 -0.436 0.216 1.00 0.00 C ATOM 745 C GLY A 48 9.269 -0.165 0.431 1.00 0.00 C ATOM 746 O GLY A 48 8.459 -1.092 0.451 1.00 0.00 O ATOM 0 H GLY A 48 10.556 -2.519 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.330 0.318 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.979 -0.338 -0.844 1.00 0.00 H new ATOM 750 N GLN A 49 8.919 1.107 0.594 1.00 0.00 N ATOM 751 CA GLN A 49 7.531 1.495 0.811 1.00 0.00 C ATOM 752 C GLN A 49 7.105 2.572 -0.182 1.00 0.00 C ATOM 753 O GLN A 49 7.926 3.368 -0.641 1.00 0.00 O ATOM 754 CB GLN A 49 7.338 1.999 2.242 1.00 0.00 C ATOM 755 CG GLN A 49 8.039 3.319 2.522 1.00 0.00 C ATOM 756 CD GLN A 49 9.546 3.175 2.597 1.00 0.00 C ATOM 757 OE1 GLN A 49 10.233 3.569 1.531 1.00 0.00 O flip ATOM 758 NE2 GLN A 49 10.088 2.713 3.601 1.00 0.00 N flip ATOM 0 H GLN A 49 9.578 1.886 0.580 1.00 0.00 H new ATOM 0 HA GLN A 49 6.906 0.616 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.272 2.115 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.709 1.246 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.785 4.034 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.670 3.730 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.522 2.422 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.103 2.621 3.636 1.00 0.00 H new ATOM 767 N LEU A 50 5.818 2.591 -0.510 1.00 0.00 N ATOM 768 CA LEU A 50 5.283 3.570 -1.450 1.00 0.00 C ATOM 769 C LEU A 50 4.317 4.523 -0.752 1.00 0.00 C ATOM 770 O LEU A 50 3.645 4.147 0.208 1.00 0.00 O ATOM 771 CB LEU A 50 4.573 2.862 -2.605 1.00 0.00 C ATOM 772 CG LEU A 50 4.087 3.759 -3.744 1.00 0.00 C ATOM 773 CD1 LEU A 50 5.266 4.403 -4.457 1.00 0.00 C ATOM 774 CD2 LEU A 50 3.239 2.963 -4.725 1.00 0.00 C ATOM 0 H LEU A 50 5.126 1.940 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 50 6.116 4.151 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.252 2.117 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.715 2.323 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 50 3.469 4.550 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.900 5.038 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.833 5.007 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.910 3.626 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.902 3.617 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.833 2.151 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.374 2.550 -4.206 1.00 0.00 H new ATOM 910 N ARG B 3 24.534 -19.773 -9.676 1.00 0.00 N ATOM 911 CA ARG B 3 23.096 -19.608 -9.850 1.00 0.00 C ATOM 912 C ARG B 3 22.582 -18.425 -9.034 1.00 0.00 C ATOM 913 O ARG B 3 23.098 -18.129 -7.957 1.00 0.00 O ATOM 914 CB ARG B 3 22.361 -20.884 -9.436 1.00 0.00 C ATOM 915 CG ARG B 3 20.848 -20.770 -9.521 1.00 0.00 C ATOM 916 CD ARG B 3 20.246 -20.345 -8.190 1.00 0.00 C ATOM 917 NE ARG B 3 19.317 -21.343 -7.666 1.00 0.00 N ATOM 918 CZ ARG B 3 18.920 -21.384 -6.399 1.00 0.00 C ATOM 919 NH1 ARG B 3 19.368 -20.487 -5.531 1.00 0.00 N ATOM 920 NH2 ARG B 3 18.072 -22.323 -5.998 1.00 0.00 N ATOM 0 HA ARG B 3 22.903 -19.411 -10.905 1.00 0.00 H new ATOM 0 HB2 ARG B 3 22.691 -21.706 -10.071 1.00 0.00 H new ATOM 0 HB3 ARG B 3 22.641 -21.139 -8.414 1.00 0.00 H new ATOM 0 HG2 ARG B 3 20.579 -20.047 -10.291 1.00 0.00 H new ATOM 0 HG3 ARG B 3 20.426 -21.729 -9.823 1.00 0.00 H new ATOM 0 HD2 ARG B 3 21.045 -20.179 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG B 3 19.726 -19.395 -8.314 1.00 0.00 H new ATOM 0 HE ARG B 3 18.953 -22.047 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG B 3 20.019 -19.763 -5.836 1.00 0.00 H new ATOM 0 HH12 ARG B 3 19.062 -20.521 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG B 3 17.725 -23.014 -6.663 1.00 0.00 H new ATOM 0 HH22 ARG B 3 17.768 -22.354 -5.025 1.00 0.00 H new ATOM 934 N VAL B 4 21.562 -17.751 -9.557 1.00 0.00 N ATOM 935 CA VAL B 4 20.978 -16.601 -8.877 1.00 0.00 C ATOM 936 C VAL B 4 19.458 -16.705 -8.829 1.00 0.00 C ATOM 937 O VAL B 4 18.802 -16.859 -9.860 1.00 0.00 O ATOM 938 CB VAL B 4 21.369 -15.282 -9.570 1.00 0.00 C ATOM 939 CG1 VAL B 4 20.827 -14.091 -8.794 1.00 0.00 C ATOM 940 CG2 VAL B 4 22.880 -15.188 -9.721 1.00 0.00 C ATOM 0 H VAL B 4 21.124 -17.982 -10.449 1.00 0.00 H new ATOM 0 HA VAL B 4 21.372 -16.600 -7.861 1.00 0.00 H new ATOM 0 HB VAL B 4 20.926 -15.269 -10.566 1.00 0.00 H new ATOM 0 HG11 VAL B 4 21.113 -13.168 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL B 4 19.740 -14.155 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL B 4 21.239 -14.096 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL B 4 23.139 -14.250 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL B 4 23.347 -15.223 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL B 4 23.238 -16.024 -10.322 1.00 0.00 H new ATOM 950 N ARG B 5 18.902 -16.620 -7.624 1.00 0.00 N ATOM 951 CA ARG B 5 17.458 -16.706 -7.441 1.00 0.00 C ATOM 952 C ARG B 5 16.952 -15.558 -6.573 1.00 0.00 C ATOM 953 O ARG B 5 17.435 -15.348 -5.460 1.00 0.00 O ATOM 954 CB ARG B 5 17.082 -18.045 -6.804 1.00 0.00 C ATOM 955 CG ARG B 5 15.625 -18.130 -6.381 1.00 0.00 C ATOM 956 CD ARG B 5 15.491 -18.281 -4.873 1.00 0.00 C ATOM 957 NE ARG B 5 15.212 -19.660 -4.484 1.00 0.00 N ATOM 958 CZ ARG B 5 15.092 -20.058 -3.222 1.00 0.00 C ATOM 959 NH1 ARG B 5 15.227 -19.185 -2.233 1.00 0.00 N ATOM 960 NH2 ARG B 5 14.837 -21.331 -2.947 1.00 0.00 N ATOM 0 H ARG B 5 19.430 -16.492 -6.761 1.00 0.00 H new ATOM 0 HA ARG B 5 16.987 -16.633 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG B 5 17.293 -18.847 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG B 5 17.715 -18.214 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.098 -17.233 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.150 -18.977 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG B 5 16.411 -17.948 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG B 5 14.691 -17.634 -4.514 1.00 0.00 H new ATOM 0 HE ARG B 5 15.103 -20.356 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG B 5 15.423 -18.206 -2.440 1.00 0.00 H new ATOM 0 HH12 ARG B 5 15.134 -19.493 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG B 5 14.733 -22.006 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG B 5 14.745 -21.635 -1.978 1.00 0.00 H new ATOM 974 N ILE B 6 15.976 -14.818 -7.090 1.00 0.00 N ATOM 975 CA ILE B 6 15.404 -13.692 -6.362 1.00 0.00 C ATOM 976 C ILE B 6 13.907 -13.882 -6.145 1.00 0.00 C ATOM 977 O ILE B 6 13.153 -14.093 -7.095 1.00 0.00 O ATOM 978 CB ILE B 6 15.640 -12.364 -7.104 1.00 0.00 C ATOM 979 CG1 ILE B 6 17.136 -12.146 -7.343 1.00 0.00 C ATOM 980 CG2 ILE B 6 15.050 -11.204 -6.315 1.00 0.00 C ATOM 981 CD1 ILE B 6 17.443 -10.919 -8.172 1.00 0.00 C ATOM 0 H ILE B 6 15.565 -14.978 -8.010 1.00 0.00 H new ATOM 0 HA ILE B 6 15.906 -13.652 -5.396 1.00 0.00 H new ATOM 0 HB ILE B 6 15.140 -12.412 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE B 6 17.641 -12.060 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE B 6 17.548 -13.024 -7.841 1.00 0.00 H new ATOM 0 HG21 ILE B 6 15.225 -10.272 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE B 6 13.978 -11.356 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE B 6 15.524 -11.152 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE B 6 18.521 -10.828 -8.301 1.00 0.00 H new ATOM 0 HD12 ILE B 6 16.967 -11.011 -9.148 1.00 0.00 H new ATOM 0 HD13 ILE B 6 17.062 -10.033 -7.665 1.00 0.00 H new ATOM 993 N SER B 7 13.482 -13.803 -4.888 1.00 0.00 N ATOM 994 CA SER B 7 12.074 -13.967 -4.546 1.00 0.00 C ATOM 995 C SER B 7 11.468 -12.645 -4.085 1.00 0.00 C ATOM 996 O SER B 7 11.978 -12.003 -3.165 1.00 0.00 O ATOM 997 CB SER B 7 11.913 -15.023 -3.450 1.00 0.00 C ATOM 998 OG SER B 7 13.078 -15.822 -3.338 1.00 0.00 O ATOM 0 H SER B 7 14.092 -13.627 -4.090 1.00 0.00 H new ATOM 0 HA SER B 7 11.545 -14.297 -5.440 1.00 0.00 H new ATOM 0 HB2 SER B 7 11.710 -14.535 -2.497 1.00 0.00 H new ATOM 0 HB3 SER B 7 11.054 -15.656 -3.673 1.00 0.00 H new ATOM 0 HG SER B 7 12.951 -16.488 -2.630 1.00 0.00 H new ATOM 1004 N ILE B 8 10.379 -12.243 -4.731 1.00 0.00 N ATOM 1005 CA ILE B 8 9.704 -10.998 -4.388 1.00 0.00 C ATOM 1006 C ILE B 8 8.341 -11.267 -3.760 1.00 0.00 C ATOM 1007 O ILE B 8 7.576 -12.103 -4.242 1.00 0.00 O ATOM 1008 CB ILE B 8 9.517 -10.099 -5.625 1.00 0.00 C ATOM 1009 CG1 ILE B 8 8.513 -10.727 -6.593 1.00 0.00 C ATOM 1010 CG2 ILE B 8 10.853 -9.866 -6.316 1.00 0.00 C ATOM 1011 CD1 ILE B 8 8.428 -10.014 -7.924 1.00 0.00 C ATOM 0 H ILE B 8 9.945 -12.762 -5.495 1.00 0.00 H new ATOM 0 HA ILE B 8 10.339 -10.483 -3.667 1.00 0.00 H new ATOM 0 HB ILE B 8 9.124 -9.136 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE B 8 8.789 -11.768 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE B 8 7.527 -10.731 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE B 8 10.705 -9.229 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE B 8 11.541 -9.380 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE B 8 11.271 -10.822 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE B 8 7.697 -10.514 -8.559 1.00 0.00 H new ATOM 0 HD12 ILE B 8 8.122 -8.980 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE B 8 9.404 -10.033 -8.410 1.00 0.00 H new ATOM 1023 N THR B 9 8.041 -10.551 -2.680 1.00 0.00 N ATOM 1024 CA THR B 9 6.770 -10.712 -1.985 1.00 0.00 C ATOM 1025 C THR B 9 5.923 -9.449 -2.089 1.00 0.00 C ATOM 1026 O THR B 9 6.288 -8.400 -1.558 1.00 0.00 O ATOM 1027 CB THR B 9 6.982 -11.054 -0.498 1.00 0.00 C ATOM 1028 OG1 THR B 9 8.284 -11.617 -0.306 1.00 0.00 O ATOM 1029 CG2 THR B 9 5.924 -12.032 -0.012 1.00 0.00 C ATOM 0 H THR B 9 8.661 -9.854 -2.268 1.00 0.00 H new ATOM 0 HA THR B 9 6.247 -11.537 -2.469 1.00 0.00 H new ATOM 0 HB THR B 9 6.896 -10.134 0.080 1.00 0.00 H new ATOM 0 HG1 THR B 9 8.412 -11.830 0.642 1.00 0.00 H new ATOM 0 HG21 THR B 9 6.094 -12.259 1.041 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.936 -11.588 -0.133 1.00 0.00 H new ATOM 0 HG23 THR B 9 5.983 -12.951 -0.595 1.00 0.00 H new ATOM 1037 N ALA B 10 4.790 -9.556 -2.776 1.00 0.00 N ATOM 1038 CA ALA B 10 3.890 -8.423 -2.947 1.00 0.00 C ATOM 1039 C ALA B 10 2.488 -8.755 -2.448 1.00 0.00 C ATOM 1040 O ALA B 10 2.178 -9.912 -2.163 1.00 0.00 O ATOM 1041 CB ALA B 10 3.846 -7.999 -4.407 1.00 0.00 C ATOM 0 H ALA B 10 4.474 -10.417 -3.223 1.00 0.00 H new ATOM 0 HA ALA B 10 4.272 -7.594 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA B 10 3.170 -7.152 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA B 10 4.846 -7.711 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA B 10 3.491 -8.830 -5.017 1.00 0.00 H new ATOM 1047 N ARG B 11 1.644 -7.734 -2.344 1.00 0.00 N ATOM 1048 CA ARG B 11 0.275 -7.918 -1.878 1.00 0.00 C ATOM 1049 C ARG B 11 -0.589 -8.553 -2.964 1.00 0.00 C ATOM 1050 O ARG B 11 -1.421 -9.417 -2.686 1.00 0.00 O ATOM 1051 CB ARG B 11 -0.326 -6.577 -1.453 1.00 0.00 C ATOM 1052 CG ARG B 11 -0.375 -5.549 -2.571 1.00 0.00 C ATOM 1053 CD ARG B 11 -0.661 -4.155 -2.035 1.00 0.00 C ATOM 1054 NE ARG B 11 -2.029 -4.031 -1.537 1.00 0.00 N ATOM 1055 CZ ARG B 11 -2.617 -2.866 -1.288 1.00 0.00 C ATOM 1056 NH1 ARG B 11 -1.960 -1.732 -1.490 1.00 0.00 N ATOM 1057 NH2 ARG B 11 -3.864 -2.834 -0.837 1.00 0.00 N ATOM 0 H ARG B 11 1.884 -6.770 -2.576 1.00 0.00 H new ATOM 0 HA ARG B 11 0.298 -8.588 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -1.336 -6.744 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG B 11 0.257 -6.173 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG B 11 0.575 -5.546 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -1.145 -5.828 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG B 11 0.039 -3.924 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -0.494 -3.422 -2.824 1.00 0.00 H new ATOM 0 HE ARG B 11 -2.561 -4.885 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -1.001 -1.753 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -2.413 -0.839 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.372 -3.704 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -4.314 -1.939 -0.646 1.00 0.00 H new ATOM 1071 N THR B 12 -0.385 -8.118 -4.204 1.00 0.00 N ATOM 1072 CA THR B 12 -1.145 -8.642 -5.332 1.00 0.00 C ATOM 1073 C THR B 12 -0.222 -9.242 -6.386 1.00 0.00 C ATOM 1074 O THR B 12 0.963 -8.913 -6.449 1.00 0.00 O ATOM 1075 CB THR B 12 -2.009 -7.547 -5.985 1.00 0.00 C ATOM 1076 OG1 THR B 12 -2.530 -8.013 -7.235 1.00 0.00 O ATOM 1077 CG2 THR B 12 -1.196 -6.280 -6.210 1.00 0.00 C ATOM 0 H THR B 12 0.300 -7.404 -4.452 1.00 0.00 H new ATOM 0 HA THR B 12 -1.797 -9.422 -4.938 1.00 0.00 H new ATOM 0 HB THR B 12 -2.835 -7.317 -5.312 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.079 -7.311 -7.642 1.00 0.00 H new ATOM 0 HG21 THR B 12 -1.826 -5.520 -6.672 1.00 0.00 H new ATOM 0 HG22 THR B 12 -0.825 -5.911 -5.254 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.353 -6.500 -6.866 1.00 0.00 H new ATOM 1085 N LYS B 13 -0.772 -10.124 -7.215 1.00 0.00 N ATOM 1086 CA LYS B 13 0.002 -10.769 -8.269 1.00 0.00 C ATOM 1087 C LYS B 13 0.495 -9.745 -9.286 1.00 0.00 C ATOM 1088 O LYS B 13 1.606 -9.854 -9.805 1.00 0.00 O ATOM 1089 CB LYS B 13 -0.843 -11.834 -8.971 1.00 0.00 C ATOM 1090 CG LYS B 13 -2.207 -11.334 -9.414 1.00 0.00 C ATOM 1091 CD LYS B 13 -2.931 -12.366 -10.262 1.00 0.00 C ATOM 1092 CE LYS B 13 -4.428 -12.361 -9.991 1.00 0.00 C ATOM 1093 NZ LYS B 13 -5.213 -12.725 -11.203 1.00 0.00 N ATOM 0 H LYS B 13 -1.751 -10.408 -7.177 1.00 0.00 H new ATOM 0 HA LYS B 13 0.868 -11.245 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -0.300 -12.201 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.977 -12.681 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.810 -11.094 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.090 -10.412 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.751 -12.162 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.526 -13.357 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.654 -13.063 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.731 -11.373 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.228 -12.710 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.017 -12.041 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.943 -13.678 -11.518 1.00 0.00 H new ATOM 1107 N LYS B 14 -0.338 -8.748 -9.567 1.00 0.00 N ATOM 1108 CA LYS B 14 0.013 -7.702 -10.521 1.00 0.00 C ATOM 1109 C LYS B 14 1.294 -6.990 -10.098 1.00 0.00 C ATOM 1110 O LYS B 14 2.095 -6.583 -10.940 1.00 0.00 O ATOM 1111 CB LYS B 14 -1.129 -6.691 -10.643 1.00 0.00 C ATOM 1112 CG LYS B 14 -2.467 -7.323 -10.987 1.00 0.00 C ATOM 1113 CD LYS B 14 -2.577 -7.622 -12.473 1.00 0.00 C ATOM 1114 CE LYS B 14 -2.407 -9.106 -12.757 1.00 0.00 C ATOM 1115 NZ LYS B 14 -2.814 -9.455 -14.147 1.00 0.00 N ATOM 0 H LYS B 14 -1.262 -8.642 -9.147 1.00 0.00 H new ATOM 0 HA LYS B 14 0.181 -8.170 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.224 -6.148 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -0.875 -5.959 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.592 -8.245 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.274 -6.654 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.547 -7.289 -12.841 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.819 -7.057 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.366 -9.389 -12.602 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -3.003 -9.682 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -2.683 -10.475 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -3.815 -9.209 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -2.229 -8.925 -14.824 1.00 0.00 H new ATOM 1129 N GLU B 15 1.481 -6.843 -8.790 1.00 0.00 N ATOM 1130 CA GLU B 15 2.666 -6.180 -8.258 1.00 0.00 C ATOM 1131 C GLU B 15 3.921 -7.002 -8.538 1.00 0.00 C ATOM 1132 O GLU B 15 5.000 -6.451 -8.758 1.00 0.00 O ATOM 1133 CB GLU B 15 2.517 -5.952 -6.753 1.00 0.00 C ATOM 1134 CG GLU B 15 2.203 -4.512 -6.383 1.00 0.00 C ATOM 1135 CD GLU B 15 0.850 -4.059 -6.897 1.00 0.00 C ATOM 1136 OE1 GLU B 15 0.633 -4.117 -8.125 1.00 0.00 O ATOM 1137 OE2 GLU B 15 0.010 -3.646 -6.071 1.00 0.00 O ATOM 0 H GLU B 15 0.828 -7.174 -8.080 1.00 0.00 H new ATOM 0 HA GLU B 15 2.766 -5.216 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU B 15 1.724 -6.597 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU B 15 3.439 -6.253 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU B 15 2.230 -4.405 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU B 15 2.978 -3.860 -6.787 1.00 0.00 H new ATOM 1144 N ALA B 16 3.771 -8.322 -8.526 1.00 0.00 N ATOM 1145 CA ALA B 16 4.891 -9.220 -8.780 1.00 0.00 C ATOM 1146 C ALA B 16 5.355 -9.123 -10.229 1.00 0.00 C ATOM 1147 O ALA B 16 6.554 -9.078 -10.504 1.00 0.00 O ATOM 1148 CB ALA B 16 4.506 -10.652 -8.441 1.00 0.00 C ATOM 0 H ALA B 16 2.885 -8.793 -8.343 1.00 0.00 H new ATOM 0 HA ALA B 16 5.720 -8.917 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA B 16 5.352 -11.312 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA B 16 4.231 -10.715 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA B 16 3.659 -10.956 -9.056 1.00 0.00 H new ATOM 1154 N GLU B 17 4.399 -9.092 -11.151 1.00 0.00 N ATOM 1155 CA GLU B 17 4.711 -9.003 -12.573 1.00 0.00 C ATOM 1156 C GLU B 17 5.385 -7.672 -12.899 1.00 0.00 C ATOM 1157 O GLU B 17 6.283 -7.607 -13.738 1.00 0.00 O ATOM 1158 CB GLU B 17 3.440 -9.161 -13.409 1.00 0.00 C ATOM 1159 CG GLU B 17 2.858 -7.842 -13.888 1.00 0.00 C ATOM 1160 CD GLU B 17 1.519 -8.012 -14.579 1.00 0.00 C ATOM 1161 OE1 GLU B 17 1.023 -9.157 -14.638 1.00 0.00 O ATOM 1162 OE2 GLU B 17 0.966 -7.001 -15.060 1.00 0.00 O ATOM 0 H GLU B 17 3.402 -9.127 -10.939 1.00 0.00 H new ATOM 0 HA GLU B 17 5.400 -9.811 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU B 17 3.660 -9.787 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU B 17 2.690 -9.686 -12.818 1.00 0.00 H new ATOM 0 HG2 GLU B 17 2.741 -7.171 -13.037 1.00 0.00 H new ATOM 0 HG3 GLU B 17 3.559 -7.368 -14.574 1.00 0.00 H new ATOM 1169 N LYS B 18 4.944 -6.613 -12.229 1.00 0.00 N ATOM 1170 CA LYS B 18 5.502 -5.284 -12.445 1.00 0.00 C ATOM 1171 C LYS B 18 6.993 -5.261 -12.123 1.00 0.00 C ATOM 1172 O LYS B 18 7.759 -4.517 -12.736 1.00 0.00 O ATOM 1173 CB LYS B 18 4.768 -4.253 -11.584 1.00 0.00 C ATOM 1174 CG LYS B 18 3.299 -4.101 -11.937 1.00 0.00 C ATOM 1175 CD LYS B 18 3.075 -2.957 -12.912 1.00 0.00 C ATOM 1176 CE LYS B 18 1.624 -2.501 -12.913 1.00 0.00 C ATOM 1177 NZ LYS B 18 1.506 -1.029 -13.104 1.00 0.00 N ATOM 0 H LYS B 18 4.201 -6.650 -11.531 1.00 0.00 H new ATOM 0 HA LYS B 18 5.371 -5.029 -13.497 1.00 0.00 H new ATOM 0 HB2 LYS B 18 4.853 -4.540 -10.536 1.00 0.00 H new ATOM 0 HB3 LYS B 18 5.260 -3.286 -11.690 1.00 0.00 H new ATOM 0 HG2 LYS B 18 2.931 -5.029 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS B 18 2.722 -3.925 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS B 18 3.720 -2.120 -12.646 1.00 0.00 H new ATOM 0 HD3 LYS B 18 3.359 -3.272 -13.916 1.00 0.00 H new ATOM 0 HE2 LYS B 18 1.082 -3.015 -13.707 1.00 0.00 H new ATOM 0 HE3 LYS B 18 1.154 -2.784 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 0.502 -0.758 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 2.001 -0.538 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 1.932 -0.762 -14.014 1.00 0.00 H new ATOM 1191 N PHE B 19 7.398 -6.081 -11.160 1.00 0.00 N ATOM 1192 CA PHE B 19 8.798 -6.156 -10.758 1.00 0.00 C ATOM 1193 C PHE B 19 9.539 -7.222 -11.559 1.00 0.00 C ATOM 1194 O PHE B 19 10.686 -7.028 -11.959 1.00 0.00 O ATOM 1195 CB PHE B 19 8.905 -6.460 -9.262 1.00 0.00 C ATOM 1196 CG PHE B 19 8.875 -5.232 -8.397 1.00 0.00 C ATOM 1197 CD1 PHE B 19 7.676 -4.601 -8.108 1.00 0.00 C ATOM 1198 CD2 PHE B 19 10.046 -4.709 -7.872 1.00 0.00 C ATOM 1199 CE1 PHE B 19 7.645 -3.471 -7.313 1.00 0.00 C ATOM 1200 CE2 PHE B 19 10.022 -3.579 -7.076 1.00 0.00 C ATOM 1201 CZ PHE B 19 8.820 -2.960 -6.796 1.00 0.00 C ATOM 0 H PHE B 19 6.777 -6.703 -10.643 1.00 0.00 H new ATOM 0 HA PHE B 19 9.260 -5.190 -10.960 1.00 0.00 H new ATOM 0 HB2 PHE B 19 8.085 -7.118 -8.974 1.00 0.00 H new ATOM 0 HB3 PHE B 19 9.831 -7.004 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE B 19 6.755 -4.997 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE B 19 10.989 -5.190 -8.087 1.00 0.00 H new ATOM 0 HE1 PHE B 19 6.704 -2.988 -7.096 1.00 0.00 H new ATOM 0 HE2 PHE B 19 10.942 -3.181 -6.674 1.00 0.00 H new ATOM 0 HZ PHE B 19 8.798 -2.078 -6.174 1.00 0.00 H new ATOM 1211 N ALA B 20 8.873 -8.349 -11.790 1.00 0.00 N ATOM 1212 CA ALA B 20 9.466 -9.446 -12.544 1.00 0.00 C ATOM 1213 C ALA B 20 9.941 -8.976 -13.915 1.00 0.00 C ATOM 1214 O ALA B 20 11.017 -9.358 -14.374 1.00 0.00 O ATOM 1215 CB ALA B 20 8.469 -10.586 -12.691 1.00 0.00 C ATOM 0 H ALA B 20 7.922 -8.526 -11.465 1.00 0.00 H new ATOM 0 HA ALA B 20 10.334 -9.806 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA B 20 8.926 -11.398 -13.256 1.00 0.00 H new ATOM 0 HB2 ALA B 20 8.182 -10.948 -11.704 1.00 0.00 H new ATOM 0 HB3 ALA B 20 7.584 -10.230 -13.218 1.00 0.00 H new ATOM 1221 N ALA B 21 9.131 -8.146 -14.564 1.00 0.00 N ATOM 1222 CA ALA B 21 9.469 -7.622 -15.882 1.00 0.00 C ATOM 1223 C ALA B 21 10.835 -6.944 -15.869 1.00 0.00 C ATOM 1224 O ALA B 21 11.647 -7.147 -16.772 1.00 0.00 O ATOM 1225 CB ALA B 21 8.399 -6.650 -16.354 1.00 0.00 C ATOM 0 H ALA B 21 8.236 -7.822 -14.198 1.00 0.00 H new ATOM 0 HA ALA B 21 9.515 -8.460 -16.578 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.665 -6.267 -17.339 1.00 0.00 H new ATOM 0 HB2 ALA B 21 7.440 -7.165 -16.411 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.325 -5.821 -15.650 1.00 0.00 H new ATOM 1231 N ILE B 22 11.080 -6.137 -14.842 1.00 0.00 N ATOM 1232 CA ILE B 22 12.347 -5.429 -14.713 1.00 0.00 C ATOM 1233 C ILE B 22 13.492 -6.398 -14.434 1.00 0.00 C ATOM 1234 O ILE B 22 14.535 -6.348 -15.088 1.00 0.00 O ATOM 1235 CB ILE B 22 12.293 -4.379 -13.588 1.00 0.00 C ATOM 1236 CG1 ILE B 22 11.188 -3.358 -13.866 1.00 0.00 C ATOM 1237 CG2 ILE B 22 13.640 -3.684 -13.447 1.00 0.00 C ATOM 1238 CD1 ILE B 22 10.564 -2.787 -12.612 1.00 0.00 C ATOM 0 H ILE B 22 10.418 -5.957 -14.087 1.00 0.00 H new ATOM 0 HA ILE B 22 12.524 -4.924 -15.662 1.00 0.00 H new ATOM 0 HB ILE B 22 12.067 -4.885 -12.650 1.00 0.00 H new ATOM 0 HG12 ILE B 22 11.599 -2.543 -14.461 1.00 0.00 H new ATOM 0 HG13 ILE B 22 10.411 -3.830 -14.466 1.00 0.00 H new ATOM 0 HG21 ILE B 22 13.586 -2.945 -12.648 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.407 -4.421 -13.208 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.893 -3.188 -14.384 1.00 0.00 H new ATOM 0 HD11 ILE B 22 9.789 -2.071 -12.885 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.123 -3.593 -12.026 1.00 0.00 H new ATOM 0 HD13 ILE B 22 11.330 -2.285 -12.021 1.00 0.00 H new ATOM 1250 N LEU B 23 13.290 -7.280 -13.461 1.00 0.00 N ATOM 1251 CA LEU B 23 14.305 -8.262 -13.097 1.00 0.00 C ATOM 1252 C LEU B 23 14.773 -9.041 -14.322 1.00 0.00 C ATOM 1253 O LEU B 23 15.963 -9.319 -14.475 1.00 0.00 O ATOM 1254 CB LEU B 23 13.754 -9.227 -12.045 1.00 0.00 C ATOM 1255 CG LEU B 23 14.366 -9.118 -10.648 1.00 0.00 C ATOM 1256 CD1 LEU B 23 15.841 -9.489 -10.681 1.00 0.00 C ATOM 1257 CD2 LEU B 23 14.180 -7.714 -10.092 1.00 0.00 C ATOM 0 H LEU B 23 12.433 -7.335 -12.910 1.00 0.00 H new ATOM 0 HA LEU B 23 15.159 -7.728 -12.681 1.00 0.00 H new ATOM 0 HB2 LEU B 23 12.679 -9.067 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU B 23 13.898 -10.246 -12.405 1.00 0.00 H new ATOM 0 HG LEU B 23 13.851 -9.819 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU B 23 16.260 -9.406 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU B 23 15.951 -10.514 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU B 23 16.371 -8.814 -11.353 1.00 0.00 H new ATOM 0 HD21 LEU B 23 14.622 -7.655 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU B 23 14.669 -6.995 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU B 23 13.116 -7.485 -10.031 1.00 0.00 H new ATOM 1269 N ILE B 24 13.831 -9.389 -15.192 1.00 0.00 N ATOM 1270 CA ILE B 24 14.149 -10.132 -16.405 1.00 0.00 C ATOM 1271 C ILE B 24 15.128 -9.360 -17.282 1.00 0.00 C ATOM 1272 O ILE B 24 16.085 -9.926 -17.810 1.00 0.00 O ATOM 1273 CB ILE B 24 12.881 -10.445 -17.221 1.00 0.00 C ATOM 1274 CG1 ILE B 24 11.919 -11.306 -16.401 1.00 0.00 C ATOM 1275 CG2 ILE B 24 13.248 -11.143 -18.522 1.00 0.00 C ATOM 1276 CD1 ILE B 24 10.460 -11.017 -16.682 1.00 0.00 C ATOM 0 H ILE B 24 12.842 -9.168 -15.079 1.00 0.00 H new ATOM 0 HA ILE B 24 14.609 -11.069 -16.090 1.00 0.00 H new ATOM 0 HB ILE B 24 12.382 -9.507 -17.463 1.00 0.00 H new ATOM 0 HG12 ILE B 24 12.119 -12.357 -16.607 1.00 0.00 H new ATOM 0 HG13 ILE B 24 12.115 -11.146 -15.341 1.00 0.00 H new ATOM 0 HG21 ILE B 24 12.342 -11.358 -19.088 1.00 0.00 H new ATOM 0 HG22 ILE B 24 13.899 -10.496 -19.111 1.00 0.00 H new ATOM 0 HG23 ILE B 24 13.767 -12.076 -18.301 1.00 0.00 H new ATOM 0 HD11 ILE B 24 9.836 -11.664 -16.066 1.00 0.00 H new ATOM 0 HD12 ILE B 24 10.244 -9.974 -16.448 1.00 0.00 H new ATOM 0 HD13 ILE B 24 10.248 -11.204 -17.735 1.00 0.00 H new ATOM 1288 N LYS B 25 14.883 -8.063 -17.432 1.00 0.00 N ATOM 1289 CA LYS B 25 15.744 -7.210 -18.243 1.00 0.00 C ATOM 1290 C LYS B 25 17.142 -7.117 -17.639 1.00 0.00 C ATOM 1291 O LYS B 25 18.143 -7.170 -18.353 1.00 0.00 O ATOM 1292 CB LYS B 25 15.137 -5.811 -18.371 1.00 0.00 C ATOM 1293 CG LYS B 25 13.727 -5.809 -18.933 1.00 0.00 C ATOM 1294 CD LYS B 25 13.723 -5.543 -20.429 1.00 0.00 C ATOM 1295 CE LYS B 25 14.456 -6.636 -21.192 1.00 0.00 C ATOM 1296 NZ LYS B 25 14.015 -6.713 -22.612 1.00 0.00 N ATOM 0 H LYS B 25 14.095 -7.579 -17.002 1.00 0.00 H new ATOM 0 HA LYS B 25 15.825 -7.656 -19.235 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.129 -5.337 -17.390 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.776 -5.204 -19.013 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.253 -6.770 -18.732 1.00 0.00 H new ATOM 0 HG3 LYS B 25 13.133 -5.048 -18.426 1.00 0.00 H new ATOM 0 HD2 LYS B 25 12.695 -5.476 -20.785 1.00 0.00 H new ATOM 0 HD3 LYS B 25 14.193 -4.580 -20.630 1.00 0.00 H new ATOM 0 HE2 LYS B 25 15.529 -6.448 -21.155 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.284 -7.596 -20.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.538 -7.470 -23.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 12.996 -6.918 -22.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.203 -5.805 -23.083 1.00 0.00 H new ATOM 1310 N VAL B 26 17.202 -6.978 -16.318 1.00 0.00 N ATOM 1311 CA VAL B 26 18.477 -6.879 -15.618 1.00 0.00 C ATOM 1312 C VAL B 26 19.277 -8.171 -15.748 1.00 0.00 C ATOM 1313 O VAL B 26 20.494 -8.144 -15.933 1.00 0.00 O ATOM 1314 CB VAL B 26 18.274 -6.563 -14.124 1.00 0.00 C ATOM 1315 CG1 VAL B 26 19.603 -6.232 -13.462 1.00 0.00 C ATOM 1316 CG2 VAL B 26 17.283 -5.421 -13.951 1.00 0.00 C ATOM 0 H VAL B 26 16.383 -6.931 -15.712 1.00 0.00 H new ATOM 0 HA VAL B 26 19.031 -6.063 -16.083 1.00 0.00 H new ATOM 0 HB VAL B 26 17.863 -7.447 -13.636 1.00 0.00 H new ATOM 0 HG11 VAL B 26 19.439 -6.012 -12.407 1.00 0.00 H new ATOM 0 HG12 VAL B 26 20.277 -7.083 -13.554 1.00 0.00 H new ATOM 0 HG13 VAL B 26 20.046 -5.364 -13.950 1.00 0.00 H new ATOM 0 HG21 VAL B 26 17.151 -5.211 -12.890 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.662 -4.531 -14.453 1.00 0.00 H new ATOM 0 HG23 VAL B 26 16.324 -5.702 -14.387 1.00 0.00 H new ATOM 1326 N PHE B 27 18.585 -9.301 -15.651 1.00 0.00 N ATOM 1327 CA PHE B 27 19.231 -10.604 -15.758 1.00 0.00 C ATOM 1328 C PHE B 27 19.726 -10.851 -17.180 1.00 0.00 C ATOM 1329 O PHE B 27 20.830 -11.354 -17.386 1.00 0.00 O ATOM 1330 CB PHE B 27 18.261 -11.713 -15.345 1.00 0.00 C ATOM 1331 CG PHE B 27 18.332 -12.057 -13.884 1.00 0.00 C ATOM 1332 CD1 PHE B 27 19.527 -12.462 -13.311 1.00 0.00 C ATOM 1333 CD2 PHE B 27 17.203 -11.976 -13.085 1.00 0.00 C ATOM 1334 CE1 PHE B 27 19.595 -12.779 -11.968 1.00 0.00 C ATOM 1335 CE2 PHE B 27 17.265 -12.292 -11.741 1.00 0.00 C ATOM 1336 CZ PHE B 27 18.462 -12.694 -11.182 1.00 0.00 C ATOM 0 H PHE B 27 17.577 -9.341 -15.499 1.00 0.00 H new ATOM 0 HA PHE B 27 20.089 -10.612 -15.086 1.00 0.00 H new ATOM 0 HB2 PHE B 27 17.244 -11.405 -15.589 1.00 0.00 H new ATOM 0 HB3 PHE B 27 18.473 -12.607 -15.932 1.00 0.00 H new ATOM 0 HD1 PHE B 27 20.415 -12.531 -13.921 1.00 0.00 H new ATOM 0 HD2 PHE B 27 16.264 -11.662 -13.517 1.00 0.00 H new ATOM 0 HE1 PHE B 27 20.532 -13.093 -11.533 1.00 0.00 H new ATOM 0 HE2 PHE B 27 16.378 -12.225 -11.128 1.00 0.00 H new ATOM 0 HZ PHE B 27 18.512 -12.942 -10.132 1.00 0.00 H new ATOM 1346 N ALA B 28 18.901 -10.492 -18.158 1.00 0.00 N ATOM 1347 CA ALA B 28 19.255 -10.672 -19.561 1.00 0.00 C ATOM 1348 C ALA B 28 20.483 -9.846 -19.928 1.00 0.00 C ATOM 1349 O ALA B 28 21.400 -10.338 -20.584 1.00 0.00 O ATOM 1350 CB ALA B 28 18.080 -10.302 -20.454 1.00 0.00 C ATOM 0 H ALA B 28 17.983 -10.075 -18.005 1.00 0.00 H new ATOM 0 HA ALA B 28 19.498 -11.723 -19.717 1.00 0.00 H new ATOM 0 HB1 ALA B 28 18.359 -10.441 -21.498 1.00 0.00 H new ATOM 0 HB2 ALA B 28 17.228 -10.940 -20.218 1.00 0.00 H new ATOM 0 HB3 ALA B 28 17.810 -9.259 -20.287 1.00 0.00 H new ATOM 1356 N GLU B 29 20.492 -8.587 -19.501 1.00 0.00 N ATOM 1357 CA GLU B 29 21.607 -7.692 -19.788 1.00 0.00 C ATOM 1358 C GLU B 29 22.857 -8.118 -19.022 1.00 0.00 C ATOM 1359 O GLU B 29 23.973 -7.725 -19.365 1.00 0.00 O ATOM 1360 CB GLU B 29 21.240 -6.251 -19.426 1.00 0.00 C ATOM 1361 CG GLU B 29 21.493 -5.907 -17.967 1.00 0.00 C ATOM 1362 CD GLU B 29 22.777 -5.125 -17.767 1.00 0.00 C ATOM 1363 OE1 GLU B 29 23.048 -4.211 -18.573 1.00 0.00 O ATOM 1364 OE2 GLU B 29 23.510 -5.428 -16.802 1.00 0.00 O ATOM 0 H GLU B 29 19.741 -8.164 -18.956 1.00 0.00 H new ATOM 0 HA GLU B 29 21.819 -7.748 -20.856 1.00 0.00 H new ATOM 0 HB2 GLU B 29 21.812 -5.570 -20.056 1.00 0.00 H new ATOM 0 HB3 GLU B 29 20.187 -6.085 -19.652 1.00 0.00 H new ATOM 0 HG2 GLU B 29 20.654 -5.326 -17.584 1.00 0.00 H new ATOM 0 HG3 GLU B 29 21.537 -6.826 -17.383 1.00 0.00 H new ATOM 1371 N LEU B 30 22.661 -8.923 -17.984 1.00 0.00 N ATOM 1372 CA LEU B 30 23.772 -9.403 -17.168 1.00 0.00 C ATOM 1373 C LEU B 30 24.307 -10.728 -17.702 1.00 0.00 C ATOM 1374 O LEU B 30 25.258 -11.288 -17.160 1.00 0.00 O ATOM 1375 CB LEU B 30 23.328 -9.568 -15.714 1.00 0.00 C ATOM 1376 CG LEU B 30 23.200 -8.279 -14.901 1.00 0.00 C ATOM 1377 CD1 LEU B 30 22.301 -8.496 -13.694 1.00 0.00 C ATOM 1378 CD2 LEU B 30 24.572 -7.785 -14.465 1.00 0.00 C ATOM 0 H LEU B 30 21.744 -9.257 -17.687 1.00 0.00 H new ATOM 0 HA LEU B 30 24.572 -8.664 -17.216 1.00 0.00 H new ATOM 0 HB2 LEU B 30 22.364 -10.077 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU B 30 24.039 -10.223 -15.210 1.00 0.00 H new ATOM 0 HG LEU B 30 22.746 -7.517 -15.534 1.00 0.00 H new ATOM 0 HD11 LEU B 30 22.222 -7.568 -13.128 1.00 0.00 H new ATOM 0 HD12 LEU B 30 21.310 -8.802 -14.029 1.00 0.00 H new ATOM 0 HD13 LEU B 30 22.726 -9.273 -13.059 1.00 0.00 H new ATOM 0 HD21 LEU B 30 24.462 -6.867 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU B 30 25.054 -8.545 -13.850 1.00 0.00 H new ATOM 0 HD23 LEU B 30 25.185 -7.589 -15.345 1.00 0.00 H new ATOM 1390 N GLY B 31 23.689 -11.222 -18.771 1.00 0.00 N ATOM 1391 CA GLY B 31 24.118 -12.476 -19.362 1.00 0.00 C ATOM 1392 C GLY B 31 23.443 -13.677 -18.729 1.00 0.00 C ATOM 1393 O GLY B 31 23.842 -14.817 -18.963 1.00 0.00 O ATOM 0 H GLY B 31 22.899 -10.776 -19.238 1.00 0.00 H new ATOM 0 HA2 GLY B 31 23.902 -12.463 -20.430 1.00 0.00 H new ATOM 0 HA3 GLY B 31 25.199 -12.573 -19.256 1.00 0.00 H new ATOM 1397 N TYR B 32 22.418 -13.420 -17.924 1.00 0.00 N ATOM 1398 CA TYR B 32 21.688 -14.488 -17.252 1.00 0.00 C ATOM 1399 C TYR B 32 20.456 -14.895 -18.054 1.00 0.00 C ATOM 1400 O TYR B 32 19.419 -15.240 -17.489 1.00 0.00 O ATOM 1401 CB TYR B 32 21.273 -14.046 -15.848 1.00 0.00 C ATOM 1402 CG TYR B 32 22.439 -13.834 -14.910 1.00 0.00 C ATOM 1403 CD1 TYR B 32 23.342 -12.798 -15.116 1.00 0.00 C ATOM 1404 CD2 TYR B 32 22.639 -14.669 -13.818 1.00 0.00 C ATOM 1405 CE1 TYR B 32 24.410 -12.601 -14.263 1.00 0.00 C ATOM 1406 CE2 TYR B 32 23.704 -14.478 -12.958 1.00 0.00 C ATOM 1407 CZ TYR B 32 24.586 -13.443 -13.185 1.00 0.00 C ATOM 1408 OH TYR B 32 25.649 -13.250 -12.331 1.00 0.00 O ATOM 0 H TYR B 32 22.074 -12.481 -17.721 1.00 0.00 H new ATOM 0 HA TYR B 32 22.349 -15.351 -17.173 1.00 0.00 H new ATOM 0 HB2 TYR B 32 20.704 -13.119 -15.922 1.00 0.00 H new ATOM 0 HB3 TYR B 32 20.607 -14.796 -15.422 1.00 0.00 H new ATOM 0 HD1 TYR B 32 23.206 -12.135 -15.958 1.00 0.00 H new ATOM 0 HD2 TYR B 32 21.950 -15.481 -13.638 1.00 0.00 H new ATOM 0 HE1 TYR B 32 25.104 -11.792 -14.439 1.00 0.00 H new ATOM 0 HE2 TYR B 32 23.844 -15.136 -12.113 1.00 0.00 H new ATOM 0 HH TYR B 32 25.628 -13.928 -11.624 1.00 0.00 H new ATOM 1418 N ASN B 33 20.579 -14.852 -19.377 1.00 0.00 N ATOM 1419 CA ASN B 33 19.476 -15.216 -20.259 1.00 0.00 C ATOM 1420 C ASN B 33 18.888 -16.568 -19.867 1.00 0.00 C ATOM 1421 O ASN B 33 19.524 -17.351 -19.160 1.00 0.00 O ATOM 1422 CB ASN B 33 19.950 -15.256 -21.713 1.00 0.00 C ATOM 1423 CG ASN B 33 18.799 -15.364 -22.694 1.00 0.00 C ATOM 1424 OD1 ASN B 33 18.718 -16.316 -23.471 1.00 0.00 O ATOM 1425 ND2 ASN B 33 17.902 -14.385 -22.663 1.00 0.00 N ATOM 0 H ASN B 33 21.431 -14.569 -19.861 1.00 0.00 H new ATOM 0 HA ASN B 33 18.698 -14.459 -20.158 1.00 0.00 H new ATOM 0 HB2 ASN B 33 20.525 -14.356 -21.930 1.00 0.00 H new ATOM 0 HB3 ASN B 33 20.621 -16.104 -21.850 1.00 0.00 H new ATOM 0 HD21 ASN B 33 17.106 -14.403 -23.300 1.00 0.00 H new ATOM 0 HD22 ASN B 33 18.009 -13.616 -22.002 1.00 0.00 H new ATOM 1432 N ASP B 34 17.673 -16.836 -20.330 1.00 0.00 N ATOM 1433 CA ASP B 34 17.000 -18.094 -20.029 1.00 0.00 C ATOM 1434 C ASP B 34 16.582 -18.150 -18.563 1.00 0.00 C ATOM 1435 O ASP B 34 16.990 -19.047 -17.825 1.00 0.00 O ATOM 1436 CB ASP B 34 17.913 -19.277 -20.358 1.00 0.00 C ATOM 1437 CG ASP B 34 17.136 -20.504 -20.793 1.00 0.00 C ATOM 1438 OD1 ASP B 34 16.503 -20.455 -21.868 1.00 0.00 O ATOM 1439 OD2 ASP B 34 17.163 -21.514 -20.059 1.00 0.00 O ATOM 0 H ASP B 34 17.133 -16.199 -20.916 1.00 0.00 H new ATOM 0 HA ASP B 34 16.103 -18.154 -20.646 1.00 0.00 H new ATOM 0 HB2 ASP B 34 18.605 -18.989 -21.149 1.00 0.00 H new ATOM 0 HB3 ASP B 34 18.514 -19.523 -19.483 1.00 0.00 H new ATOM 1444 N ILE B 35 15.767 -17.186 -18.148 1.00 0.00 N ATOM 1445 CA ILE B 35 15.294 -17.126 -16.771 1.00 0.00 C ATOM 1446 C ILE B 35 14.002 -17.916 -16.598 1.00 0.00 C ATOM 1447 O ILE B 35 13.195 -18.015 -17.522 1.00 0.00 O ATOM 1448 CB ILE B 35 15.059 -15.672 -16.320 1.00 0.00 C ATOM 1449 CG1 ILE B 35 15.949 -15.337 -15.121 1.00 0.00 C ATOM 1450 CG2 ILE B 35 13.593 -15.456 -15.975 1.00 0.00 C ATOM 1451 CD1 ILE B 35 17.349 -14.916 -15.507 1.00 0.00 C ATOM 0 H ILE B 35 15.421 -16.436 -18.746 1.00 0.00 H new ATOM 0 HA ILE B 35 16.073 -17.569 -16.150 1.00 0.00 H new ATOM 0 HB ILE B 35 15.322 -15.005 -17.141 1.00 0.00 H new ATOM 0 HG12 ILE B 35 15.483 -14.537 -14.545 1.00 0.00 H new ATOM 0 HG13 ILE B 35 16.007 -16.207 -14.468 1.00 0.00 H new ATOM 0 HG21 ILE B 35 13.442 -14.424 -15.658 1.00 0.00 H new ATOM 0 HG22 ILE B 35 12.979 -15.660 -16.852 1.00 0.00 H new ATOM 0 HG23 ILE B 35 13.306 -16.129 -15.167 1.00 0.00 H new ATOM 0 HD11 ILE B 35 17.923 -14.694 -14.607 1.00 0.00 H new ATOM 0 HD12 ILE B 35 17.833 -15.723 -16.057 1.00 0.00 H new ATOM 0 HD13 ILE B 35 17.301 -14.027 -16.136 1.00 0.00 H new ATOM 1463 N ASN B 36 13.811 -18.475 -15.408 1.00 0.00 N ATOM 1464 CA ASN B 36 12.614 -19.255 -15.113 1.00 0.00 C ATOM 1465 C ASN B 36 11.930 -18.746 -13.848 1.00 0.00 C ATOM 1466 O ASN B 36 12.549 -18.658 -12.787 1.00 0.00 O ATOM 1467 CB ASN B 36 12.972 -20.734 -14.952 1.00 0.00 C ATOM 1468 CG ASN B 36 12.887 -21.495 -16.261 1.00 0.00 C ATOM 1469 OD1 ASN B 36 13.630 -21.218 -17.203 1.00 0.00 O ATOM 1470 ND2 ASN B 36 11.977 -22.460 -16.326 1.00 0.00 N ATOM 0 H ASN B 36 14.469 -18.403 -14.632 1.00 0.00 H new ATOM 0 HA ASN B 36 11.923 -19.143 -15.948 1.00 0.00 H new ATOM 0 HB2 ASN B 36 13.982 -20.819 -14.550 1.00 0.00 H new ATOM 0 HB3 ASN B 36 12.300 -21.191 -14.225 1.00 0.00 H new ATOM 0 HD21 ASN B 36 11.873 -23.006 -17.181 1.00 0.00 H new ATOM 0 HD22 ASN B 36 11.382 -22.655 -15.521 1.00 0.00 H new ATOM 1477 N VAL B 37 10.649 -18.412 -13.968 1.00 0.00 N ATOM 1478 CA VAL B 37 9.880 -17.913 -12.835 1.00 0.00 C ATOM 1479 C VAL B 37 8.980 -19.000 -12.260 1.00 0.00 C ATOM 1480 O VAL B 37 8.337 -19.747 -13.000 1.00 0.00 O ATOM 1481 CB VAL B 37 9.014 -16.703 -13.233 1.00 0.00 C ATOM 1482 CG1 VAL B 37 7.916 -17.126 -14.197 1.00 0.00 C ATOM 1483 CG2 VAL B 37 8.424 -16.040 -11.998 1.00 0.00 C ATOM 0 H VAL B 37 10.122 -18.478 -14.839 1.00 0.00 H new ATOM 0 HA VAL B 37 10.599 -17.602 -12.077 1.00 0.00 H new ATOM 0 HB VAL B 37 9.649 -15.976 -13.739 1.00 0.00 H new ATOM 0 HG11 VAL B 37 7.315 -16.258 -14.467 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.364 -17.550 -15.095 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.281 -17.873 -13.720 1.00 0.00 H new ATOM 0 HG21 VAL B 37 7.815 -15.187 -12.299 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.803 -16.758 -11.461 1.00 0.00 H new ATOM 0 HG23 VAL B 37 9.230 -15.699 -11.348 1.00 0.00 H new ATOM 1493 N THR B 38 8.936 -19.086 -10.934 1.00 0.00 N ATOM 1494 CA THR B 38 8.116 -20.083 -10.258 1.00 0.00 C ATOM 1495 C THR B 38 7.288 -19.451 -9.145 1.00 0.00 C ATOM 1496 O THR B 38 7.826 -18.779 -8.264 1.00 0.00 O ATOM 1497 CB THR B 38 8.978 -21.212 -9.664 1.00 0.00 C ATOM 1498 OG1 THR B 38 10.089 -20.656 -8.951 1.00 0.00 O ATOM 1499 CG2 THR B 38 9.485 -22.139 -10.759 1.00 0.00 C ATOM 0 H THR B 38 9.460 -18.476 -10.306 1.00 0.00 H new ATOM 0 HA THR B 38 7.448 -20.504 -11.009 1.00 0.00 H new ATOM 0 HB THR B 38 8.359 -21.790 -8.978 1.00 0.00 H new ATOM 0 HG1 THR B 38 9.795 -19.864 -8.454 1.00 0.00 H new ATOM 0 HG21 THR B 38 10.091 -22.929 -10.315 1.00 0.00 H new ATOM 0 HG22 THR B 38 8.637 -22.583 -11.281 1.00 0.00 H new ATOM 0 HG23 THR B 38 10.090 -21.571 -11.466 1.00 0.00 H new ATOM 1576 N VAL B 44 6.227 -15.229 -5.836 1.00 0.00 N ATOM 1577 CA VAL B 44 6.925 -15.425 -7.101 1.00 0.00 C ATOM 1578 C VAL B 44 8.434 -15.318 -6.918 1.00 0.00 C ATOM 1579 O VAL B 44 8.930 -14.385 -6.286 1.00 0.00 O ATOM 1580 CB VAL B 44 6.473 -14.398 -8.156 1.00 0.00 C ATOM 1581 CG1 VAL B 44 5.083 -14.738 -8.672 1.00 0.00 C ATOM 1582 CG2 VAL B 44 6.507 -12.991 -7.579 1.00 0.00 C ATOM 0 HA VAL B 44 6.674 -16.427 -7.449 1.00 0.00 H new ATOM 0 HB VAL B 44 7.166 -14.438 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL B 44 4.781 -14.001 -9.416 1.00 0.00 H new ATOM 0 HG12 VAL B 44 5.096 -15.729 -9.126 1.00 0.00 H new ATOM 0 HG13 VAL B 44 4.375 -14.728 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL B 44 6.185 -12.278 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL B 44 5.838 -12.934 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.523 -12.751 -7.264 1.00 0.00 H new ATOM 1592 N THR B 45 9.162 -16.280 -7.476 1.00 0.00 N ATOM 1593 CA THR B 45 10.616 -16.296 -7.374 1.00 0.00 C ATOM 1594 C THR B 45 11.260 -16.523 -8.737 1.00 0.00 C ATOM 1595 O THR B 45 10.937 -17.484 -9.435 1.00 0.00 O ATOM 1596 CB THR B 45 11.099 -17.388 -6.402 1.00 0.00 C ATOM 1597 OG1 THR B 45 10.338 -17.338 -5.190 1.00 0.00 O ATOM 1598 CG2 THR B 45 12.577 -17.216 -6.086 1.00 0.00 C ATOM 0 H THR B 45 8.768 -17.059 -8.004 1.00 0.00 H new ATOM 0 HA THR B 45 10.917 -15.321 -6.991 1.00 0.00 H new ATOM 0 HB THR B 45 10.956 -18.357 -6.880 1.00 0.00 H new ATOM 0 HG1 THR B 45 10.651 -18.037 -4.578 1.00 0.00 H new ATOM 0 HG21 THR B 45 12.895 -17.999 -5.398 1.00 0.00 H new ATOM 0 HG22 THR B 45 13.156 -17.285 -7.007 1.00 0.00 H new ATOM 0 HG23 THR B 45 12.740 -16.241 -5.627 1.00 0.00 H new ATOM 1606 N VAL B 46 12.174 -15.633 -9.110 1.00 0.00 N ATOM 1607 CA VAL B 46 12.866 -15.738 -10.389 1.00 0.00 C ATOM 1608 C VAL B 46 14.155 -16.541 -10.253 1.00 0.00 C ATOM 1609 O VAL B 46 14.894 -16.387 -9.282 1.00 0.00 O ATOM 1610 CB VAL B 46 13.199 -14.348 -10.963 1.00 0.00 C ATOM 1611 CG1 VAL B 46 14.305 -13.687 -10.155 1.00 0.00 C ATOM 1612 CG2 VAL B 46 13.590 -14.457 -12.429 1.00 0.00 C ATOM 0 H VAL B 46 12.452 -14.831 -8.544 1.00 0.00 H new ATOM 0 HA VAL B 46 12.191 -16.253 -11.072 1.00 0.00 H new ATOM 0 HB VAL B 46 12.309 -13.723 -10.894 1.00 0.00 H new ATOM 0 HG11 VAL B 46 14.526 -12.706 -10.576 1.00 0.00 H new ATOM 0 HG12 VAL B 46 13.982 -13.574 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL B 46 15.201 -14.307 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL B 46 13.822 -13.466 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL B 46 14.466 -15.099 -12.525 1.00 0.00 H new ATOM 0 HG23 VAL B 46 12.763 -14.885 -12.995 1.00 0.00 H new ATOM 1622 N GLU B 47 14.417 -17.399 -11.234 1.00 0.00 N ATOM 1623 CA GLU B 47 15.618 -18.227 -11.223 1.00 0.00 C ATOM 1624 C GLU B 47 16.411 -18.053 -12.515 1.00 0.00 C ATOM 1625 O GLU B 47 15.910 -18.323 -13.605 1.00 0.00 O ATOM 1626 CB GLU B 47 15.246 -19.700 -11.034 1.00 0.00 C ATOM 1627 CG GLU B 47 14.888 -20.058 -9.602 1.00 0.00 C ATOM 1628 CD GLU B 47 14.091 -21.344 -9.505 1.00 0.00 C ATOM 1629 OE1 GLU B 47 13.234 -21.578 -10.383 1.00 0.00 O ATOM 1630 OE2 GLU B 47 14.323 -22.116 -8.551 1.00 0.00 O ATOM 0 H GLU B 47 13.815 -17.539 -12.045 1.00 0.00 H new ATOM 0 HA GLU B 47 16.242 -17.907 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU B 47 14.402 -19.939 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU B 47 16.081 -20.321 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU B 47 15.802 -20.156 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU B 47 14.313 -19.244 -9.161 1.00 0.00 H new ATOM 1637 N GLY B 48 17.653 -17.598 -12.383 1.00 0.00 N ATOM 1638 CA GLY B 48 18.496 -17.394 -13.546 1.00 0.00 C ATOM 1639 C GLY B 48 19.877 -17.997 -13.375 1.00 0.00 C ATOM 1640 O GLY B 48 20.378 -18.106 -12.256 1.00 0.00 O ATOM 0 H GLY B 48 18.090 -17.367 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY B 48 18.016 -17.834 -14.420 1.00 0.00 H new ATOM 0 HA3 GLY B 48 18.591 -16.325 -13.739 1.00 0.00 H new ATOM 1644 N GLN B 49 20.492 -18.389 -14.486 1.00 0.00 N ATOM 1645 CA GLN B 49 21.822 -18.986 -14.452 1.00 0.00 C ATOM 1646 C GLN B 49 22.777 -18.240 -15.378 1.00 0.00 C ATOM 1647 O GLN B 49 22.354 -17.623 -16.357 1.00 0.00 O ATOM 1648 CB GLN B 49 21.752 -20.461 -14.852 1.00 0.00 C ATOM 1649 CG GLN B 49 21.379 -20.679 -16.309 1.00 0.00 C ATOM 1650 CD GLN B 49 19.918 -20.382 -16.588 1.00 0.00 C ATOM 1651 OE1 GLN B 49 19.648 -19.203 -17.135 1.00 0.00 O flip ATOM 1652 NE2 GLN B 49 19.043 -21.204 -16.314 1.00 0.00 N flip ATOM 0 H GLN B 49 20.091 -18.304 -15.420 1.00 0.00 H new ATOM 0 HA GLN B 49 22.201 -18.911 -13.433 1.00 0.00 H new ATOM 0 HB2 GLN B 49 22.718 -20.927 -14.659 1.00 0.00 H new ATOM 0 HB3 GLN B 49 21.022 -20.966 -14.219 1.00 0.00 H new ATOM 0 HG2 GLN B 49 22.002 -20.043 -16.939 1.00 0.00 H new ATOM 0 HG3 GLN B 49 21.595 -21.711 -16.585 1.00 0.00 H new ATOM 0 HE21 GLN B 49 19.297 -22.098 -15.894 1.00 0.00 H new ATOM 0 HE22 GLN B 49 18.064 -20.991 -16.507 1.00 0.00 H new ATOM 1661 N LEU B 50 24.066 -18.300 -15.064 1.00 0.00 N ATOM 1662 CA LEU B 50 25.082 -17.630 -15.868 1.00 0.00 C ATOM 1663 C LEU B 50 25.942 -18.645 -16.614 1.00 0.00 C ATOM 1664 O LEU B 50 26.274 -19.702 -16.081 1.00 0.00 O ATOM 1665 CB LEU B 50 25.964 -16.750 -14.981 1.00 0.00 C ATOM 1666 CG LEU B 50 26.996 -15.886 -15.707 1.00 0.00 C ATOM 1667 CD1 LEU B 50 26.304 -14.871 -16.605 1.00 0.00 C ATOM 1668 CD2 LEU B 50 27.903 -15.184 -14.706 1.00 0.00 C ATOM 0 H LEU B 50 24.433 -18.806 -14.258 1.00 0.00 H new ATOM 0 HA LEU B 50 24.575 -17.003 -16.601 1.00 0.00 H new ATOM 0 HB2 LEU B 50 25.318 -16.095 -14.396 1.00 0.00 H new ATOM 0 HB3 LEU B 50 26.490 -17.392 -14.275 1.00 0.00 H new ATOM 0 HG LEU B 50 27.611 -16.534 -16.331 1.00 0.00 H new ATOM 0 HD11 LEU B 50 27.053 -14.265 -17.114 1.00 0.00 H new ATOM 0 HD12 LEU B 50 25.697 -15.393 -17.344 1.00 0.00 H new ATOM 0 HD13 LEU B 50 25.665 -14.227 -16.001 1.00 0.00 H new ATOM 0 HD21 LEU B 50 28.631 -14.574 -15.240 1.00 0.00 H new ATOM 0 HD22 LEU B 50 27.303 -14.547 -14.056 1.00 0.00 H new ATOM 0 HD23 LEU B 50 28.425 -15.928 -14.104 1.00 0.00 H new