USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -117:sc= -1.39 USER MOD Single : A 9 SER OG : rot -29:sc= 1.73! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.0918 (180deg=-1.09) USER MOD Single : A 19 THR OG1 : rot 37:sc= 1.14 USER MOD Single : A 20 HIS : no HD1:sc= -15.6! C(o=-16!,f=-19!) USER MOD Single : A 21 ASN : amide:sc= -0.101 X(o=-0.1,f=0.09) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 57 THR OG1 : rot 7:sc= -2.17! USER MOD Single : A 58 THR OG1 : rot -179:sc= -4.56! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0799 USER MOD Single : A 72 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.6) USER MOD Single : A 73 TYR OH : rot 106:sc= 0.955 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -7.31! C(o=-7.3!,f=-2.6!) USER MOD Single : A 93 GLN : amide:sc=-0.00611 X(o=-0.0061,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.032 -1.504 2.769 1.00 0.00 N ATOM 23 CA LYS A 2 17.629 -1.981 2.602 1.00 0.00 C ATOM 24 C LYS A 2 16.684 -0.781 2.516 1.00 0.00 C ATOM 25 O LYS A 2 17.001 0.294 2.983 1.00 0.00 O ATOM 26 CB LYS A 2 17.241 -2.848 3.801 1.00 0.00 C ATOM 27 CG LYS A 2 16.874 -4.253 3.319 1.00 0.00 C ATOM 28 CD LYS A 2 17.826 -5.273 3.948 1.00 0.00 C ATOM 29 CE LYS A 2 17.770 -5.151 5.472 1.00 0.00 C ATOM 30 NZ LYS A 2 19.148 -5.249 6.030 1.00 0.00 N ATOM 0 HA LYS A 2 17.553 -2.567 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.068 -2.900 4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.398 -2.401 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.844 -4.485 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.936 -4.304 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.548 -6.282 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.843 -5.102 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.319 -4.200 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.141 -5.938 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.110 -5.166 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.563 -6.167 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.735 -4.483 5.643 1.00 0.00 H new ATOM 44 N PRO A 3 15.536 -1.014 1.940 1.00 0.00 N ATOM 45 CA PRO A 3 14.360 -0.152 2.134 1.00 0.00 C ATOM 46 C PRO A 3 13.683 -0.476 3.468 1.00 0.00 C ATOM 47 O PRO A 3 12.637 -1.091 3.512 1.00 0.00 O ATOM 48 CB PRO A 3 13.451 -0.518 0.959 1.00 0.00 C ATOM 49 CG PRO A 3 13.879 -1.933 0.501 1.00 0.00 C ATOM 50 CD PRO A 3 15.304 -2.161 1.041 1.00 0.00 C ATOM 0 HA PRO A 3 14.603 0.910 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.403 -0.507 1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.557 0.202 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.194 -2.688 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.860 -2.010 -0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.381 -3.108 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.036 -2.190 0.234 1.00 0.00 H new ATOM 58 N LYS A 4 14.272 -0.062 4.554 1.00 0.00 N ATOM 59 CA LYS A 4 13.664 -0.341 5.882 1.00 0.00 C ATOM 60 C LYS A 4 12.218 0.152 5.887 1.00 0.00 C ATOM 61 O LYS A 4 11.956 1.337 5.965 1.00 0.00 O ATOM 62 CB LYS A 4 14.457 0.385 6.971 1.00 0.00 C ATOM 63 CG LYS A 4 15.637 -0.485 7.407 1.00 0.00 C ATOM 64 CD LYS A 4 16.938 0.305 7.257 1.00 0.00 C ATOM 65 CE LYS A 4 17.042 1.337 8.382 1.00 0.00 C ATOM 66 NZ LYS A 4 17.746 2.550 7.879 1.00 0.00 N ATOM 0 H LYS A 4 15.149 0.458 4.579 1.00 0.00 H new ATOM 0 HA LYS A 4 13.685 -1.413 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.817 1.343 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.813 0.598 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.507 -0.799 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.678 -1.391 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.792 -0.371 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.963 0.804 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.047 1.603 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.583 0.914 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.817 3.252 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.700 2.289 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.213 2.956 7.084 1.00 0.00 H new ATOM 80 N ILE A 5 11.280 -0.752 5.802 1.00 0.00 N ATOM 81 CA ILE A 5 9.844 -0.353 5.802 1.00 0.00 C ATOM 82 C ILE A 5 9.272 -0.575 7.206 1.00 0.00 C ATOM 83 O ILE A 5 9.325 -1.666 7.738 1.00 0.00 O ATOM 84 CB ILE A 5 9.088 -1.209 4.778 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.752 -0.547 4.433 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.829 -2.604 5.351 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.635 -0.404 2.915 1.00 0.00 C ATOM 0 H ILE A 5 11.448 -1.756 5.732 1.00 0.00 H new ATOM 0 HA ILE A 5 9.739 0.698 5.533 1.00 0.00 H new ATOM 0 HB ILE A 5 9.694 -1.296 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.926 -1.146 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.685 0.432 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.292 -3.205 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.779 -3.083 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.231 -2.519 6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.684 0.067 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.454 0.212 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.684 -1.390 2.452 1.00 0.00 H new ATOM 99 N LEU A 6 8.742 0.448 7.821 1.00 0.00 N ATOM 100 CA LEU A 6 8.193 0.277 9.198 1.00 0.00 C ATOM 101 C LEU A 6 6.712 0.661 9.238 1.00 0.00 C ATOM 102 O LEU A 6 6.123 0.760 10.296 1.00 0.00 O ATOM 103 CB LEU A 6 8.972 1.168 10.167 1.00 0.00 C ATOM 104 CG LEU A 6 10.031 0.334 10.891 1.00 0.00 C ATOM 105 CD1 LEU A 6 11.125 -0.074 9.903 1.00 0.00 C ATOM 106 CD2 LEU A 6 10.647 1.165 12.019 1.00 0.00 C ATOM 0 H LEU A 6 8.665 1.388 7.433 1.00 0.00 H new ATOM 0 HA LEU A 6 8.293 -0.769 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.447 1.985 9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.292 1.618 10.890 1.00 0.00 H new ATOM 0 HG LEU A 6 9.567 -0.560 11.307 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.879 -0.668 10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.687 -0.664 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.590 0.819 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.402 0.573 12.537 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.110 2.059 11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.868 1.456 12.724 1.00 0.00 H new ATOM 118 N THR A 7 6.101 0.876 8.103 1.00 0.00 N ATOM 119 CA THR A 7 4.656 1.249 8.099 1.00 0.00 C ATOM 120 C THR A 7 3.902 0.376 9.105 1.00 0.00 C ATOM 121 O THR A 7 4.372 -0.670 9.507 1.00 0.00 O ATOM 122 CB THR A 7 4.075 1.029 6.701 1.00 0.00 C ATOM 123 OG1 THR A 7 2.657 1.094 6.765 1.00 0.00 O ATOM 124 CG2 THR A 7 4.502 -0.343 6.181 1.00 0.00 C ATOM 0 H THR A 7 6.537 0.810 7.183 1.00 0.00 H new ATOM 0 HA THR A 7 4.552 2.298 8.375 1.00 0.00 H new ATOM 0 HB THR A 7 4.444 1.801 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.278 0.228 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.088 -0.500 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.590 -0.392 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.133 -1.118 6.853 1.00 0.00 H new ATOM 132 N ALA A 8 2.737 0.796 9.517 1.00 0.00 N ATOM 133 CA ALA A 8 1.961 -0.012 10.499 1.00 0.00 C ATOM 134 C ALA A 8 1.558 -1.338 9.866 1.00 0.00 C ATOM 135 O ALA A 8 1.781 -2.399 10.414 1.00 0.00 O ATOM 136 CB ALA A 8 0.707 0.758 10.919 1.00 0.00 C ATOM 0 H ALA A 8 2.290 1.662 9.216 1.00 0.00 H new ATOM 0 HA ALA A 8 2.578 -0.204 11.376 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.140 0.166 11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.997 1.704 11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.089 0.954 10.042 1.00 0.00 H new ATOM 142 N SER A 9 0.969 -1.277 8.716 1.00 0.00 N ATOM 143 CA SER A 9 0.541 -2.522 8.018 1.00 0.00 C ATOM 144 C SER A 9 -0.439 -3.298 8.900 1.00 0.00 C ATOM 145 O SER A 9 -0.132 -3.667 10.016 1.00 0.00 O ATOM 146 CB SER A 9 1.767 -3.388 7.728 1.00 0.00 C ATOM 147 OG SER A 9 1.962 -4.301 8.800 1.00 0.00 O ATOM 0 H SER A 9 0.760 -0.411 8.218 1.00 0.00 H new ATOM 0 HA SER A 9 0.049 -2.261 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.630 -3.931 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.649 -2.760 7.605 1.00 0.00 H new ATOM 0 HG SER A 9 1.620 -3.909 9.630 1.00 0.00 H new ATOM 153 N ARG A 10 -1.619 -3.547 8.403 1.00 0.00 N ATOM 154 CA ARG A 10 -2.627 -4.296 9.202 1.00 0.00 C ATOM 155 C ARG A 10 -3.910 -4.433 8.389 1.00 0.00 C ATOM 156 O ARG A 10 -4.116 -5.398 7.680 1.00 0.00 O ATOM 157 CB ARG A 10 -2.919 -3.534 10.496 1.00 0.00 C ATOM 158 CG ARG A 10 -2.261 -4.257 11.674 1.00 0.00 C ATOM 159 CD ARG A 10 -3.335 -4.953 12.513 1.00 0.00 C ATOM 160 NE ARG A 10 -2.709 -5.541 13.731 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.245 -5.336 14.903 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.543 -5.289 15.027 1.00 0.00 N ATOM 163 NH2 ARG A 10 -2.483 -5.180 15.951 1.00 0.00 N ATOM 0 H ARG A 10 -1.929 -3.262 7.474 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.241 -5.286 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.540 -2.515 10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.995 -3.463 10.654 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.540 -4.988 11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.709 -3.545 12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.109 -4.240 12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.820 -5.734 11.927 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.862 -6.103 13.649 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.138 -5.412 14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.962 -5.129 15.943 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.468 -5.218 15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.902 -5.020 16.867 1.00 0.00 H new ATOM 177 N LYS A 11 -4.767 -3.466 8.485 1.00 0.00 N ATOM 178 CA LYS A 11 -6.043 -3.517 7.718 1.00 0.00 C ATOM 179 C LYS A 11 -6.459 -2.100 7.326 1.00 0.00 C ATOM 180 O LYS A 11 -5.748 -1.144 7.566 1.00 0.00 O ATOM 181 CB LYS A 11 -7.141 -4.149 8.577 1.00 0.00 C ATOM 182 CG LYS A 11 -6.757 -5.591 8.915 1.00 0.00 C ATOM 183 CD LYS A 11 -7.934 -6.285 9.604 1.00 0.00 C ATOM 184 CE LYS A 11 -7.406 -7.345 10.572 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.800 -6.989 11.964 1.00 0.00 N ATOM 0 H LYS A 11 -4.643 -2.635 9.064 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.897 -4.118 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.278 -3.574 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.091 -4.130 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.485 -6.129 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.883 -5.603 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.537 -5.554 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.583 -6.747 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.806 -8.324 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.321 -7.413 10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.441 -7.710 12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.398 -6.063 12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.837 -6.945 12.031 1.00 0.00 H new ATOM 199 N ILE A 12 -7.604 -1.958 6.721 1.00 0.00 N ATOM 200 CA ILE A 12 -8.068 -0.607 6.306 1.00 0.00 C ATOM 201 C ILE A 12 -9.594 -0.608 6.203 1.00 0.00 C ATOM 202 O ILE A 12 -10.157 -0.911 5.169 1.00 0.00 O ATOM 203 CB ILE A 12 -7.461 -0.264 4.944 1.00 0.00 C ATOM 204 CG1 ILE A 12 -5.946 -0.098 5.086 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.061 1.039 4.428 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.649 1.073 6.026 1.00 0.00 C ATOM 0 H ILE A 12 -8.240 -2.722 6.495 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.755 0.135 7.041 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.678 -1.069 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.504 -1.014 5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.496 0.082 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.627 1.281 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.140 0.927 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.846 1.843 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.570 1.193 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.078 1.987 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.086 0.874 7.004 1.00 0.00 H new ATOM 218 N LYS A 13 -10.270 -0.279 7.270 1.00 0.00 N ATOM 219 CA LYS A 13 -11.759 -0.269 7.236 1.00 0.00 C ATOM 220 C LYS A 13 -12.249 0.963 6.473 1.00 0.00 C ATOM 221 O LYS A 13 -12.472 2.012 7.046 1.00 0.00 O ATOM 222 CB LYS A 13 -12.302 -0.232 8.666 1.00 0.00 C ATOM 223 CG LYS A 13 -11.614 0.891 9.445 1.00 0.00 C ATOM 224 CD LYS A 13 -12.611 1.525 10.416 1.00 0.00 C ATOM 225 CE LYS A 13 -12.198 1.204 11.854 1.00 0.00 C ATOM 226 NZ LYS A 13 -11.882 2.471 12.573 1.00 0.00 N ATOM 0 H LYS A 13 -9.855 -0.017 8.164 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.114 -1.169 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.380 -0.072 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.128 -1.189 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.758 0.496 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.232 1.644 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.643 2.604 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.615 1.147 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.002 0.674 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.330 0.545 11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.601 2.255 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.102 2.960 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.722 3.084 12.582 1.00 0.00 H new ATOM 240 N ILE A 14 -12.425 0.845 5.186 1.00 0.00 N ATOM 241 CA ILE A 14 -12.907 2.007 4.389 1.00 0.00 C ATOM 242 C ILE A 14 -14.417 1.872 4.163 1.00 0.00 C ATOM 243 O ILE A 14 -14.960 0.784 4.150 1.00 0.00 O ATOM 244 CB ILE A 14 -12.190 2.036 3.034 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.718 1.650 3.223 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.285 3.441 2.431 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.933 1.897 1.927 1.00 0.00 C ATOM 0 H ILE A 14 -12.256 -0.007 4.652 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.696 2.931 4.928 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.664 1.324 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.284 2.232 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.644 0.600 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.775 3.459 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.333 3.707 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.815 4.158 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.890 1.619 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.358 1.296 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.993 2.952 1.661 1.00 0.00 H new ATOM 259 N LYS A 15 -15.101 2.964 3.978 1.00 0.00 N ATOM 260 CA LYS A 15 -16.569 2.885 3.742 1.00 0.00 C ATOM 261 C LYS A 15 -16.821 2.934 2.233 1.00 0.00 C ATOM 262 O LYS A 15 -16.009 3.430 1.479 1.00 0.00 O ATOM 263 CB LYS A 15 -17.264 4.066 4.426 1.00 0.00 C ATOM 264 CG LYS A 15 -18.761 3.781 4.560 1.00 0.00 C ATOM 265 CD LYS A 15 -19.077 3.366 5.998 1.00 0.00 C ATOM 266 CE LYS A 15 -20.447 3.917 6.397 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.416 3.688 5.287 1.00 0.00 N ATOM 0 H LYS A 15 -14.709 3.906 3.980 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.967 1.958 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.828 4.236 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.108 4.976 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.336 4.667 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.054 2.990 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.071 2.279 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.310 3.744 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.797 3.428 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.373 4.982 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.372 3.570 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.404 4.504 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.148 2.830 4.764 1.00 0.00 H new ATOM 281 N ALA A 16 -17.926 2.416 1.778 1.00 0.00 N ATOM 282 CA ALA A 16 -18.197 2.438 0.314 1.00 0.00 C ATOM 283 C ALA A 16 -18.356 3.886 -0.159 1.00 0.00 C ATOM 284 O ALA A 16 -18.867 4.726 0.551 1.00 0.00 O ATOM 285 CB ALA A 16 -19.479 1.663 0.018 1.00 0.00 C ATOM 0 H ALA A 16 -18.649 1.981 2.351 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.363 1.974 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.675 1.680 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.365 0.631 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.313 2.124 0.547 1.00 0.00 H new ATOM 291 N GLY A 17 -17.927 4.178 -1.358 1.00 0.00 N ATOM 292 CA GLY A 17 -18.049 5.566 -1.891 1.00 0.00 C ATOM 293 C GLY A 17 -17.277 6.538 -0.993 1.00 0.00 C ATOM 294 O GLY A 17 -17.693 7.661 -0.783 1.00 0.00 O ATOM 0 H GLY A 17 -17.494 3.510 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.660 5.610 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.099 5.856 -1.938 1.00 0.00 H new ATOM 298 N PHE A 18 -16.163 6.120 -0.450 1.00 0.00 N ATOM 299 CA PHE A 18 -15.387 7.036 0.445 1.00 0.00 C ATOM 300 C PHE A 18 -13.996 7.315 -0.124 1.00 0.00 C ATOM 301 O PHE A 18 -13.590 6.764 -1.133 1.00 0.00 O ATOM 302 CB PHE A 18 -15.221 6.401 1.826 1.00 0.00 C ATOM 303 CG PHE A 18 -16.367 6.815 2.709 1.00 0.00 C ATOM 304 CD1 PHE A 18 -17.673 6.734 2.226 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.126 7.274 4.009 1.00 0.00 C ATOM 306 CE1 PHE A 18 -18.747 7.112 3.040 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.199 7.652 4.826 1.00 0.00 C ATOM 308 CZ PHE A 18 -18.510 7.571 4.341 1.00 0.00 C ATOM 0 H PHE A 18 -15.758 5.193 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.941 7.972 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.190 5.315 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.275 6.712 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.856 6.379 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.114 7.337 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.758 7.050 2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.015 8.006 5.830 1.00 0.00 H new ATOM 0 HZ PHE A 18 -19.338 7.862 4.970 1.00 0.00 H new ATOM 318 N THR A 19 -13.263 8.171 0.541 1.00 0.00 N ATOM 319 CA THR A 19 -11.888 8.511 0.090 1.00 0.00 C ATOM 320 C THR A 19 -10.892 8.131 1.190 1.00 0.00 C ATOM 321 O THR A 19 -10.781 8.797 2.200 1.00 0.00 O ATOM 322 CB THR A 19 -11.805 10.012 -0.189 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.077 10.730 1.007 1.00 0.00 O ATOM 324 CG2 THR A 19 -12.834 10.382 -1.256 1.00 0.00 C ATOM 0 H THR A 19 -13.566 8.653 1.387 1.00 0.00 H new ATOM 0 HA THR A 19 -11.649 7.963 -0.821 1.00 0.00 H new ATOM 0 HB THR A 19 -10.806 10.267 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.697 10.249 1.771 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.779 11.452 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.625 9.828 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.833 10.131 -0.900 1.00 0.00 H new ATOM 332 N HIS A 20 -10.180 7.055 1.004 1.00 0.00 N ATOM 333 CA HIS A 20 -9.199 6.609 2.038 1.00 0.00 C ATOM 334 C HIS A 20 -7.814 7.185 1.730 1.00 0.00 C ATOM 335 O HIS A 20 -7.479 7.451 0.592 1.00 0.00 O ATOM 336 CB HIS A 20 -9.118 5.081 2.015 1.00 0.00 C ATOM 337 CG HIS A 20 -9.023 4.540 3.407 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.098 4.544 4.280 1.00 0.00 N ATOM 339 CD2 HIS A 20 -7.993 3.936 4.077 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.696 3.952 5.417 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.418 3.564 5.350 1.00 0.00 N ATOM 0 H HIS A 20 -10.234 6.461 0.177 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.523 6.958 3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.998 4.672 1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.250 4.766 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.002 3.773 3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.328 3.807 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.873 3.097 6.074 1.00 0.00 H new ATOM 349 N ASN A 21 -7.001 7.362 2.738 1.00 0.00 N ATOM 350 CA ASN A 21 -5.630 7.901 2.510 1.00 0.00 C ATOM 351 C ASN A 21 -4.610 6.913 3.080 1.00 0.00 C ATOM 352 O ASN A 21 -4.203 7.005 4.222 1.00 0.00 O ATOM 353 CB ASN A 21 -5.481 9.259 3.197 1.00 0.00 C ATOM 354 CG ASN A 21 -6.346 9.294 4.459 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.269 8.409 5.287 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.173 10.288 4.642 1.00 0.00 N ATOM 0 H ASN A 21 -7.229 7.156 3.711 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.459 8.032 1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.437 9.435 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.780 10.057 2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.754 10.321 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.238 11.032 3.947 1.00 0.00 H new ATOM 363 N LEU A 22 -4.216 5.958 2.289 1.00 0.00 N ATOM 364 CA LEU A 22 -3.244 4.928 2.749 1.00 0.00 C ATOM 365 C LEU A 22 -1.836 5.521 2.869 1.00 0.00 C ATOM 366 O LEU A 22 -1.393 6.274 2.022 1.00 0.00 O ATOM 367 CB LEU A 22 -3.235 3.808 1.717 1.00 0.00 C ATOM 368 CG LEU A 22 -2.260 2.712 2.133 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.761 1.384 1.576 1.00 0.00 C ATOM 370 CD2 LEU A 22 -0.871 3.005 1.560 1.00 0.00 C ATOM 0 H LEU A 22 -4.532 5.845 1.326 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.538 4.557 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.237 3.392 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.952 4.205 0.742 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.195 2.670 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.075 0.587 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.752 1.172 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.814 1.442 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.180 2.218 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.927 3.042 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.516 3.964 1.938 1.00 0.00 H new ATOM 382 N GLU A 23 -1.122 5.164 3.908 1.00 0.00 N ATOM 383 CA GLU A 23 0.267 5.685 4.089 1.00 0.00 C ATOM 384 C GLU A 23 1.201 4.531 4.484 1.00 0.00 C ATOM 385 O GLU A 23 0.782 3.556 5.076 1.00 0.00 O ATOM 386 CB GLU A 23 0.272 6.743 5.195 1.00 0.00 C ATOM 387 CG GLU A 23 0.803 8.064 4.637 1.00 0.00 C ATOM 388 CD GLU A 23 0.755 9.134 5.729 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.050 8.992 6.635 1.00 0.00 O ATOM 390 OE2 GLU A 23 1.524 10.077 5.641 1.00 0.00 O ATOM 0 H GLU A 23 -1.443 4.532 4.641 1.00 0.00 H new ATOM 0 HA GLU A 23 0.613 6.129 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.736 6.880 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.894 6.412 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.826 7.937 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.205 8.376 3.781 1.00 0.00 H new ATOM 397 N VAL A 24 2.463 4.633 4.154 1.00 0.00 N ATOM 398 CA VAL A 24 3.426 3.543 4.502 1.00 0.00 C ATOM 399 C VAL A 24 4.841 4.129 4.598 1.00 0.00 C ATOM 400 O VAL A 24 5.343 4.712 3.660 1.00 0.00 O ATOM 401 CB VAL A 24 3.380 2.468 3.408 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.643 1.603 3.457 1.00 0.00 C ATOM 403 CG2 VAL A 24 2.155 1.580 3.622 1.00 0.00 C ATOM 0 H VAL A 24 2.870 5.426 3.657 1.00 0.00 H new ATOM 0 HA VAL A 24 3.157 3.098 5.460 1.00 0.00 H new ATOM 0 HB VAL A 24 3.322 2.957 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.596 0.845 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.520 2.231 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.713 1.117 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.120 0.815 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.218 1.102 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.252 2.188 3.573 1.00 0.00 H new ATOM 413 N ASP A 25 5.487 3.978 5.725 1.00 0.00 N ATOM 414 CA ASP A 25 6.867 4.532 5.881 1.00 0.00 C ATOM 415 C ASP A 25 7.908 3.487 5.471 1.00 0.00 C ATOM 416 O ASP A 25 7.809 2.328 5.824 1.00 0.00 O ATOM 417 CB ASP A 25 7.093 4.923 7.343 1.00 0.00 C ATOM 418 CG ASP A 25 7.610 6.361 7.415 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.049 6.864 6.393 1.00 0.00 O ATOM 420 OD2 ASP A 25 7.561 6.934 8.491 1.00 0.00 O ATOM 0 H ASP A 25 5.119 3.495 6.545 1.00 0.00 H new ATOM 0 HA ASP A 25 6.972 5.408 5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.162 4.832 7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.810 4.244 7.805 1.00 0.00 H new ATOM 425 N PHE A 26 8.919 3.888 4.739 1.00 0.00 N ATOM 426 CA PHE A 26 9.968 2.912 4.327 1.00 0.00 C ATOM 427 C PHE A 26 11.081 3.655 3.586 1.00 0.00 C ATOM 428 O PHE A 26 10.849 4.299 2.585 1.00 0.00 O ATOM 429 CB PHE A 26 9.341 1.816 3.444 1.00 0.00 C ATOM 430 CG PHE A 26 9.429 2.168 1.974 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.656 2.091 1.303 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.276 2.555 1.282 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.728 2.406 -0.060 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.348 2.867 -0.080 1.00 0.00 C ATOM 435 CZ PHE A 26 9.574 2.794 -0.751 1.00 0.00 C ATOM 0 H PHE A 26 9.060 4.844 4.412 1.00 0.00 H new ATOM 0 HA PHE A 26 10.398 2.430 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.849 0.868 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.297 1.676 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.546 1.789 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.330 2.613 1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.674 2.350 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.457 3.164 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.630 3.037 -1.802 1.00 0.00 H new ATOM 445 N ILE A 27 12.287 3.584 4.078 1.00 0.00 N ATOM 446 CA ILE A 27 13.401 4.310 3.400 1.00 0.00 C ATOM 447 C ILE A 27 14.571 3.362 3.125 1.00 0.00 C ATOM 448 O ILE A 27 14.754 2.367 3.793 1.00 0.00 O ATOM 449 CB ILE A 27 13.872 5.473 4.287 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.814 4.955 5.377 1.00 0.00 C ATOM 451 CG2 ILE A 27 12.663 6.136 4.950 1.00 0.00 C ATOM 452 CD1 ILE A 27 14.055 3.986 6.282 1.00 0.00 C ATOM 0 H ILE A 27 12.549 3.060 4.913 1.00 0.00 H new ATOM 0 HA ILE A 27 13.039 4.700 2.449 1.00 0.00 H new ATOM 0 HB ILE A 27 14.399 6.197 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 27 15.670 4.454 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 27 15.204 5.788 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.999 6.960 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.990 6.517 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.137 5.404 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.723 3.615 7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.213 4.502 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.687 3.148 5.690 1.00 0.00 H new ATOM 464 N GLY A 28 15.368 3.681 2.145 1.00 0.00 N ATOM 465 CA GLY A 28 16.537 2.820 1.809 1.00 0.00 C ATOM 466 C GLY A 28 17.277 3.430 0.618 1.00 0.00 C ATOM 467 O GLY A 28 17.155 4.606 0.339 1.00 0.00 O ATOM 0 H GLY A 28 15.260 4.508 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.205 2.740 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.204 1.810 1.569 1.00 0.00 H new ATOM 471 N ALA A 29 18.042 2.646 -0.091 1.00 0.00 N ATOM 472 CA ALA A 29 18.779 3.196 -1.264 1.00 0.00 C ATOM 473 C ALA A 29 19.780 2.156 -1.780 1.00 0.00 C ATOM 474 O ALA A 29 20.018 1.155 -1.134 1.00 0.00 O ATOM 475 CB ALA A 29 19.519 4.468 -0.849 1.00 0.00 C ATOM 0 H ALA A 29 18.188 1.653 0.090 1.00 0.00 H new ATOM 0 HA ALA A 29 18.072 3.433 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 29 20.058 4.871 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.801 5.206 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.226 4.234 -0.053 1.00 0.00 H new ATOM 481 N PRO A 30 20.324 2.422 -2.942 1.00 0.00 N ATOM 482 CA PRO A 30 20.024 3.642 -3.712 1.00 0.00 C ATOM 483 C PRO A 30 18.646 3.547 -4.362 1.00 0.00 C ATOM 484 O PRO A 30 18.225 2.499 -4.811 1.00 0.00 O ATOM 485 CB PRO A 30 21.121 3.682 -4.774 1.00 0.00 C ATOM 486 CG PRO A 30 21.622 2.233 -4.921 1.00 0.00 C ATOM 487 CD PRO A 30 21.281 1.514 -3.601 1.00 0.00 C ATOM 0 HA PRO A 30 20.004 4.538 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.734 4.059 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.931 4.346 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.141 1.740 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.696 2.211 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.842 0.533 -3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.170 1.358 -2.990 1.00 0.00 H new ATOM 495 N ASP A 31 17.959 4.650 -4.415 1.00 0.00 N ATOM 496 CA ASP A 31 16.599 4.695 -5.031 1.00 0.00 C ATOM 497 C ASP A 31 15.857 3.369 -4.820 1.00 0.00 C ATOM 498 O ASP A 31 15.895 2.500 -5.668 1.00 0.00 O ATOM 499 CB ASP A 31 16.733 4.967 -6.531 1.00 0.00 C ATOM 500 CG ASP A 31 15.957 6.235 -6.892 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.020 6.555 -6.180 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.314 6.864 -7.874 1.00 0.00 O ATOM 0 H ASP A 31 18.287 5.544 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 31 16.028 5.491 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.783 5.083 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.351 4.120 -7.100 1.00 0.00 H new ATOM 507 N PRO A 32 15.194 3.259 -3.696 1.00 0.00 N ATOM 508 CA PRO A 32 14.418 2.056 -3.346 1.00 0.00 C ATOM 509 C PRO A 32 13.073 2.065 -4.082 1.00 0.00 C ATOM 510 O PRO A 32 12.403 3.076 -4.153 1.00 0.00 O ATOM 511 CB PRO A 32 14.214 2.189 -1.835 1.00 0.00 C ATOM 512 CG PRO A 32 14.374 3.693 -1.503 1.00 0.00 C ATOM 513 CD PRO A 32 15.159 4.322 -2.671 1.00 0.00 C ATOM 0 HA PRO A 32 14.914 1.125 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.227 1.830 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.945 1.591 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.401 4.170 -1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.907 3.827 -0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.666 5.220 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 32 16.164 4.614 -2.365 1.00 0.00 H new ATOM 521 N THR A 33 12.673 0.951 -4.635 1.00 0.00 N ATOM 522 CA THR A 33 11.375 0.910 -5.366 1.00 0.00 C ATOM 523 C THR A 33 10.261 0.453 -4.421 1.00 0.00 C ATOM 524 O THR A 33 10.510 -0.159 -3.402 1.00 0.00 O ATOM 525 CB THR A 33 11.482 -0.072 -6.536 1.00 0.00 C ATOM 526 OG1 THR A 33 12.568 0.306 -7.371 1.00 0.00 O ATOM 527 CG2 THR A 33 10.184 -0.052 -7.344 1.00 0.00 C ATOM 0 H THR A 33 13.188 0.071 -4.612 1.00 0.00 H new ATOM 0 HA THR A 33 11.142 1.906 -5.742 1.00 0.00 H new ATOM 0 HB THR A 33 11.651 -1.078 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.639 -0.322 -8.120 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.263 -0.752 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.352 -0.343 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.011 0.953 -7.730 1.00 0.00 H new ATOM 535 N ALA A 34 9.033 0.741 -4.758 1.00 0.00 N ATOM 536 CA ALA A 34 7.898 0.319 -3.889 1.00 0.00 C ATOM 537 C ALA A 34 6.682 0.014 -4.767 1.00 0.00 C ATOM 538 O ALA A 34 6.067 0.904 -5.321 1.00 0.00 O ATOM 539 CB ALA A 34 7.555 1.440 -2.905 1.00 0.00 C ATOM 0 H ALA A 34 8.767 1.252 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 34 8.179 -0.572 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.725 1.127 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.424 1.657 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.272 2.336 -3.458 1.00 0.00 H new ATOM 545 N THR A 35 6.337 -1.238 -4.908 1.00 0.00 N ATOM 546 CA THR A 35 5.168 -1.595 -5.762 1.00 0.00 C ATOM 547 C THR A 35 3.920 -1.759 -4.892 1.00 0.00 C ATOM 548 O THR A 35 3.937 -2.437 -3.883 1.00 0.00 O ATOM 549 CB THR A 35 5.455 -2.909 -6.493 1.00 0.00 C ATOM 550 OG1 THR A 35 6.583 -2.740 -7.341 1.00 0.00 O ATOM 551 CG2 THR A 35 4.238 -3.304 -7.332 1.00 0.00 C ATOM 0 H THR A 35 6.813 -2.027 -4.470 1.00 0.00 H new ATOM 0 HA THR A 35 4.997 -0.800 -6.488 1.00 0.00 H new ATOM 0 HB THR A 35 5.661 -3.693 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.770 -3.581 -7.809 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.443 -4.240 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.373 -3.433 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.029 -2.521 -8.061 1.00 0.00 H new ATOM 559 N TRP A 36 2.835 -1.146 -5.280 1.00 0.00 N ATOM 560 CA TRP A 36 1.582 -1.267 -4.484 1.00 0.00 C ATOM 561 C TRP A 36 0.730 -2.412 -5.053 1.00 0.00 C ATOM 562 O TRP A 36 0.059 -2.284 -6.072 1.00 0.00 O ATOM 563 CB TRP A 36 0.823 0.059 -4.539 1.00 0.00 C ATOM 564 CG TRP A 36 1.252 0.903 -3.377 1.00 0.00 C ATOM 565 CD1 TRP A 36 2.021 2.017 -3.453 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.964 0.706 -1.964 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.207 2.519 -2.178 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.577 1.746 -1.226 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.234 -0.262 -1.259 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.468 1.819 0.163 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.125 -0.191 0.137 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.738 0.846 0.845 1.00 0.00 C ATOM 0 H TRP A 36 2.763 -0.566 -6.116 1.00 0.00 H new ATOM 0 HA TRP A 36 1.814 -1.492 -3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.029 0.574 -5.477 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.252 -0.118 -4.502 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.423 2.443 -4.361 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.745 3.359 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.247 -1.067 -1.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.945 2.622 0.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.437 -0.944 0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.646 0.894 1.920 1.00 0.00 H new ATOM 583 N THR A 37 0.767 -3.548 -4.412 1.00 0.00 N ATOM 584 CA THR A 37 -0.018 -4.698 -4.924 1.00 0.00 C ATOM 585 C THR A 37 -1.278 -4.900 -4.094 1.00 0.00 C ATOM 586 O THR A 37 -1.584 -4.147 -3.190 1.00 0.00 O ATOM 587 CB THR A 37 0.818 -5.979 -4.884 1.00 0.00 C ATOM 588 OG1 THR A 37 2.011 -5.744 -4.148 1.00 0.00 O ATOM 589 CG2 THR A 37 1.167 -6.411 -6.309 1.00 0.00 C ATOM 0 H THR A 37 1.303 -3.726 -3.563 1.00 0.00 H new ATOM 0 HA THR A 37 -0.297 -4.479 -5.955 1.00 0.00 H new ATOM 0 HB THR A 37 0.245 -6.770 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.811 -5.752 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.762 -7.323 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.250 -6.596 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.738 -5.622 -6.799 1.00 0.00 H new ATOM 597 N VAL A 38 -2.022 -5.912 -4.421 1.00 0.00 N ATOM 598 CA VAL A 38 -3.284 -6.177 -3.698 1.00 0.00 C ATOM 599 C VAL A 38 -3.398 -7.678 -3.392 1.00 0.00 C ATOM 600 O VAL A 38 -2.434 -8.412 -3.476 1.00 0.00 O ATOM 601 CB VAL A 38 -4.423 -5.702 -4.600 1.00 0.00 C ATOM 602 CG1 VAL A 38 -4.755 -6.778 -5.621 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.656 -5.383 -3.771 1.00 0.00 C ATOM 0 H VAL A 38 -1.805 -6.573 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.321 -5.649 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.105 -4.798 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.567 -6.434 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.875 -6.985 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.061 -7.688 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.458 -5.046 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.976 -6.277 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.419 -4.597 -3.054 1.00 0.00 H new ATOM 650 N ALA A 43 -1.892 -9.946 -7.243 1.00 0.00 N ATOM 651 CA ALA A 43 -2.708 -8.903 -7.913 1.00 0.00 C ATOM 652 C ALA A 43 -2.076 -7.535 -7.654 1.00 0.00 C ATOM 653 O ALA A 43 -1.129 -7.415 -6.904 1.00 0.00 O ATOM 654 CB ALA A 43 -4.136 -8.928 -7.358 1.00 0.00 C ATOM 0 HA ALA A 43 -2.742 -9.095 -8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.732 -8.161 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.580 -9.906 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.113 -8.735 -6.286 1.00 0.00 H new ATOM 660 N ALA A 44 -2.587 -6.503 -8.264 1.00 0.00 N ATOM 661 CA ALA A 44 -2.005 -5.151 -8.040 1.00 0.00 C ATOM 662 C ALA A 44 -3.134 -4.141 -7.848 1.00 0.00 C ATOM 663 O ALA A 44 -4.248 -4.363 -8.281 1.00 0.00 O ATOM 664 CB ALA A 44 -1.161 -4.750 -9.252 1.00 0.00 C ATOM 0 H ALA A 44 -3.379 -6.536 -8.906 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.375 -5.168 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.735 -3.760 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.357 -5.473 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.789 -4.731 -10.143 1.00 0.00 H new ATOM 670 N LEU A 45 -2.870 -3.026 -7.216 1.00 0.00 N ATOM 671 CA LEU A 45 -3.974 -2.029 -7.041 1.00 0.00 C ATOM 672 C LEU A 45 -3.495 -0.639 -7.463 1.00 0.00 C ATOM 673 O LEU A 45 -2.327 -0.318 -7.373 1.00 0.00 O ATOM 674 CB LEU A 45 -4.500 -2.030 -5.590 1.00 0.00 C ATOM 675 CG LEU A 45 -3.525 -1.356 -4.620 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.125 -1.881 -4.849 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.551 0.163 -4.811 1.00 0.00 C ATOM 0 H LEU A 45 -1.966 -2.765 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.807 -2.314 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.460 -1.515 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.676 -3.057 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.830 -1.586 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.437 -1.397 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.109 -2.958 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.819 -1.666 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.853 0.629 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.261 0.406 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.557 0.536 -4.621 1.00 0.00 H new ATOM 728 N LEU A 49 -8.207 3.339 -7.648 1.00 0.00 N ATOM 729 CA LEU A 49 -8.004 4.394 -6.632 1.00 0.00 C ATOM 730 C LEU A 49 -6.821 5.257 -7.067 1.00 0.00 C ATOM 731 O LEU A 49 -6.429 5.253 -8.216 1.00 0.00 O ATOM 732 CB LEU A 49 -7.700 3.734 -5.292 1.00 0.00 C ATOM 733 CG LEU A 49 -6.484 2.823 -5.447 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.616 2.910 -4.195 1.00 0.00 C ATOM 735 CD2 LEU A 49 -6.952 1.382 -5.642 1.00 0.00 C ATOM 0 HA LEU A 49 -8.895 5.014 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.507 4.493 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.561 3.158 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.902 3.139 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.749 2.259 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.282 3.938 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.196 2.595 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.086 0.730 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.534 1.068 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.571 1.318 -6.537 1.00 0.00 H new ATOM 747 N LEU A 50 -6.243 5.984 -6.164 1.00 0.00 N ATOM 748 CA LEU A 50 -5.073 6.830 -6.531 1.00 0.00 C ATOM 749 C LEU A 50 -3.851 6.300 -5.779 1.00 0.00 C ATOM 750 O LEU A 50 -3.980 5.479 -4.894 1.00 0.00 O ATOM 751 CB LEU A 50 -5.348 8.281 -6.140 1.00 0.00 C ATOM 752 CG LEU A 50 -5.852 9.064 -7.346 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.248 10.472 -6.895 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.741 9.150 -8.392 1.00 0.00 C ATOM 0 H LEU A 50 -6.526 6.033 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.893 6.792 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.087 8.316 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.438 8.740 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.717 8.563 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.610 11.040 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.036 10.406 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.381 10.974 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.098 9.710 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.876 9.657 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.455 8.145 -8.703 1.00 0.00 H new ATOM 766 N VAL A 51 -2.666 6.732 -6.117 1.00 0.00 N ATOM 767 CA VAL A 51 -1.474 6.196 -5.398 1.00 0.00 C ATOM 768 C VAL A 51 -0.318 7.202 -5.413 1.00 0.00 C ATOM 769 O VAL A 51 -0.110 7.923 -6.368 1.00 0.00 O ATOM 770 CB VAL A 51 -1.023 4.903 -6.079 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.180 4.320 -5.336 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.170 3.894 -6.051 1.00 0.00 C ATOM 0 H VAL A 51 -2.473 7.419 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.751 6.007 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.742 5.116 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.498 3.399 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.999 5.039 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.098 4.106 -4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.854 2.970 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.446 3.686 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.029 4.305 -6.580 1.00 0.00 H new ATOM 782 N ASP A 52 0.449 7.226 -4.355 1.00 0.00 N ATOM 783 CA ASP A 52 1.620 8.146 -4.275 1.00 0.00 C ATOM 784 C ASP A 52 2.748 7.415 -3.545 1.00 0.00 C ATOM 785 O ASP A 52 2.513 6.655 -2.626 1.00 0.00 O ATOM 786 CB ASP A 52 1.244 9.407 -3.498 1.00 0.00 C ATOM 787 CG ASP A 52 0.540 10.394 -4.432 1.00 0.00 C ATOM 788 OD1 ASP A 52 -0.381 9.978 -5.116 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.935 11.548 -4.448 1.00 0.00 O ATOM 0 H ASP A 52 0.311 6.639 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 52 1.936 8.436 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.591 9.151 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.138 9.866 -3.074 1.00 0.00 H new ATOM 794 N ALA A 53 3.972 7.612 -3.939 1.00 0.00 N ATOM 795 CA ALA A 53 5.066 6.884 -3.244 1.00 0.00 C ATOM 796 C ALA A 53 6.359 7.709 -3.224 1.00 0.00 C ATOM 797 O ALA A 53 6.655 8.454 -4.137 1.00 0.00 O ATOM 798 CB ALA A 53 5.301 5.552 -3.954 1.00 0.00 C ATOM 0 H ALA A 53 4.259 8.232 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 53 4.772 6.709 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.102 5.009 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.387 4.959 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.582 5.737 -4.991 1.00 0.00 H new ATOM 804 N LYS A 54 7.127 7.570 -2.173 1.00 0.00 N ATOM 805 CA LYS A 54 8.409 8.329 -2.054 1.00 0.00 C ATOM 806 C LYS A 54 9.548 7.365 -1.687 1.00 0.00 C ATOM 807 O LYS A 54 9.327 6.300 -1.148 1.00 0.00 O ATOM 808 CB LYS A 54 8.274 9.393 -0.961 1.00 0.00 C ATOM 809 CG LYS A 54 6.953 10.145 -1.136 1.00 0.00 C ATOM 810 CD LYS A 54 6.374 10.482 0.239 1.00 0.00 C ATOM 811 CE LYS A 54 5.629 11.816 0.168 1.00 0.00 C ATOM 812 NZ LYS A 54 6.101 12.706 1.266 1.00 0.00 N ATOM 0 H LYS A 54 6.918 6.957 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 54 8.632 8.809 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.310 8.925 0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.110 10.090 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.115 11.058 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.247 9.536 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.696 9.692 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.174 10.539 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.801 12.290 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.555 11.650 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.595 13.614 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.915 12.253 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.122 12.873 1.163 1.00 0.00 H new ATOM 826 N SER A 55 10.765 7.727 -1.984 1.00 0.00 N ATOM 827 CA SER A 55 11.916 6.827 -1.670 1.00 0.00 C ATOM 828 C SER A 55 12.014 6.558 -0.161 1.00 0.00 C ATOM 829 O SER A 55 12.571 5.563 0.258 1.00 0.00 O ATOM 830 CB SER A 55 13.212 7.484 -2.147 1.00 0.00 C ATOM 831 OG SER A 55 13.567 8.528 -1.249 1.00 0.00 O ATOM 0 H SER A 55 11.015 8.609 -2.432 1.00 0.00 H new ATOM 0 HA SER A 55 11.760 5.877 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.011 6.744 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.082 7.882 -3.153 1.00 0.00 H new ATOM 0 HG SER A 55 14.398 8.950 -1.551 1.00 0.00 H new ATOM 837 N SER A 56 11.499 7.431 0.663 1.00 0.00 N ATOM 838 CA SER A 56 11.597 7.202 2.138 1.00 0.00 C ATOM 839 C SER A 56 10.240 6.759 2.697 1.00 0.00 C ATOM 840 O SER A 56 10.072 6.569 3.889 1.00 0.00 O ATOM 841 CB SER A 56 12.029 8.500 2.821 1.00 0.00 C ATOM 842 OG SER A 56 13.428 8.455 3.069 1.00 0.00 O ATOM 0 H SER A 56 11.018 8.286 0.384 1.00 0.00 H new ATOM 0 HA SER A 56 12.331 6.419 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.787 9.355 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.486 8.631 3.757 1.00 0.00 H new ATOM 0 HG SER A 56 13.710 9.286 3.505 1.00 0.00 H new ATOM 848 N THR A 57 9.268 6.588 1.856 1.00 0.00 N ATOM 849 CA THR A 57 7.933 6.167 2.358 1.00 0.00 C ATOM 850 C THR A 57 7.017 5.956 1.159 1.00 0.00 C ATOM 851 O THR A 57 7.476 5.755 0.060 1.00 0.00 O ATOM 852 CB THR A 57 7.376 7.283 3.252 1.00 0.00 C ATOM 853 OG1 THR A 57 6.250 6.814 3.977 1.00 0.00 O ATOM 854 CG2 THR A 57 6.965 8.469 2.384 1.00 0.00 C ATOM 0 H THR A 57 9.336 6.720 0.847 1.00 0.00 H new ATOM 0 HA THR A 57 8.003 5.243 2.932 1.00 0.00 H new ATOM 0 HB THR A 57 8.147 7.592 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.147 5.850 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.569 9.263 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.833 8.839 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.199 8.153 1.676 1.00 0.00 H new ATOM 862 N THR A 58 5.734 6.024 1.352 1.00 0.00 N ATOM 863 CA THR A 58 4.804 5.858 0.209 1.00 0.00 C ATOM 864 C THR A 58 3.373 5.834 0.724 1.00 0.00 C ATOM 865 O THR A 58 3.041 5.106 1.635 1.00 0.00 O ATOM 866 CB THR A 58 5.090 4.555 -0.548 1.00 0.00 C ATOM 867 OG1 THR A 58 4.391 4.571 -1.782 1.00 0.00 O ATOM 868 CG2 THR A 58 4.618 3.362 0.280 1.00 0.00 C ATOM 0 H THR A 58 5.288 6.188 2.255 1.00 0.00 H new ATOM 0 HA THR A 58 4.945 6.695 -0.475 1.00 0.00 H new ATOM 0 HB THR A 58 6.162 4.469 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.558 3.734 -2.264 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.823 2.439 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.147 3.349 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.546 3.446 0.461 1.00 0.00 H new ATOM 876 N SER A 59 2.519 6.611 0.134 1.00 0.00 N ATOM 877 CA SER A 59 1.104 6.619 0.574 1.00 0.00 C ATOM 878 C SER A 59 0.235 6.588 -0.658 1.00 0.00 C ATOM 879 O SER A 59 0.526 7.214 -1.656 1.00 0.00 O ATOM 880 CB SER A 59 0.807 7.873 1.395 1.00 0.00 C ATOM 881 OG SER A 59 1.293 9.015 0.702 1.00 0.00 O ATOM 0 H SER A 59 2.740 7.243 -0.636 1.00 0.00 H new ATOM 0 HA SER A 59 0.903 5.752 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.266 7.965 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.279 7.800 2.375 1.00 0.00 H new ATOM 0 HG SER A 59 1.102 9.821 1.226 1.00 0.00 H new ATOM 887 N ILE A 60 -0.816 5.845 -0.619 1.00 0.00 N ATOM 888 CA ILE A 60 -1.659 5.759 -1.821 1.00 0.00 C ATOM 889 C ILE A 60 -3.084 6.182 -1.489 1.00 0.00 C ATOM 890 O ILE A 60 -3.507 6.179 -0.351 1.00 0.00 O ATOM 891 CB ILE A 60 -1.544 4.339 -2.389 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.408 3.356 -1.599 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.080 3.893 -2.270 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.278 1.959 -2.218 1.00 0.00 C ATOM 0 H ILE A 60 -1.127 5.298 0.184 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.324 6.447 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.881 4.347 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.094 3.335 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.450 3.677 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.027 2.884 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.555 4.575 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.219 3.903 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.893 1.254 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.613 1.988 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.236 1.640 -2.182 1.00 0.00 H new ATOM 906 N PHE A 61 -3.779 6.653 -2.479 1.00 0.00 N ATOM 907 CA PHE A 61 -5.137 7.215 -2.262 1.00 0.00 C ATOM 908 C PHE A 61 -6.273 6.241 -2.571 1.00 0.00 C ATOM 909 O PHE A 61 -6.121 5.280 -3.295 1.00 0.00 O ATOM 910 CB PHE A 61 -5.257 8.394 -3.201 1.00 0.00 C ATOM 911 CG PHE A 61 -4.942 9.654 -2.470 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.775 9.738 -1.715 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.808 10.739 -2.562 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.466 10.916 -1.044 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.511 11.920 -1.893 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.336 12.016 -1.128 1.00 0.00 C ATOM 0 H PHE A 61 -3.459 6.673 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.236 7.472 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.576 8.271 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.266 8.443 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.111 8.889 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.709 10.663 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.560 10.985 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.182 12.763 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.103 12.932 -0.606 1.00 0.00 H new ATOM 926 N PHE A 62 -7.432 6.545 -2.031 1.00 0.00 N ATOM 927 CA PHE A 62 -8.655 5.719 -2.262 1.00 0.00 C ATOM 928 C PHE A 62 -9.885 6.638 -2.351 1.00 0.00 C ATOM 929 O PHE A 62 -10.905 6.323 -1.775 1.00 0.00 O ATOM 930 CB PHE A 62 -8.898 4.816 -1.061 1.00 0.00 C ATOM 931 CG PHE A 62 -7.942 3.656 -1.023 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.582 3.872 -0.789 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.431 2.355 -1.184 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.707 2.781 -0.717 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.557 1.268 -1.118 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.195 1.480 -0.884 1.00 0.00 C ATOM 0 H PHE A 62 -7.581 7.352 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.510 5.144 -3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.798 5.398 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.921 4.441 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.207 4.877 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.484 2.192 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.655 2.944 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.933 0.264 -1.248 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.519 0.639 -0.832 1.00 0.00 H new ATOM 946 N PRO A 63 -9.772 7.738 -3.052 1.00 0.00 N ATOM 947 CA PRO A 63 -10.888 8.694 -3.193 1.00 0.00 C ATOM 948 C PRO A 63 -12.067 8.030 -3.894 1.00 0.00 C ATOM 949 O PRO A 63 -13.172 8.534 -3.903 1.00 0.00 O ATOM 950 CB PRO A 63 -10.284 9.840 -4.012 1.00 0.00 C ATOM 951 CG PRO A 63 -9.059 9.236 -4.724 1.00 0.00 C ATOM 952 CD PRO A 63 -8.561 8.123 -3.790 1.00 0.00 C ATOM 0 HA PRO A 63 -11.286 9.049 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.004 10.230 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.994 10.671 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.328 8.838 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.287 9.988 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.146 7.284 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.778 8.479 -3.121 1.00 0.00 H new ATOM 960 N SER A 64 -11.836 6.886 -4.459 1.00 0.00 N ATOM 961 CA SER A 64 -12.932 6.152 -5.141 1.00 0.00 C ATOM 962 C SER A 64 -13.059 4.757 -4.520 1.00 0.00 C ATOM 963 O SER A 64 -13.155 3.769 -5.221 1.00 0.00 O ATOM 964 CB SER A 64 -12.607 6.017 -6.631 1.00 0.00 C ATOM 965 OG SER A 64 -11.876 7.159 -7.057 1.00 0.00 O ATOM 0 H SER A 64 -10.928 6.422 -4.479 1.00 0.00 H new ATOM 0 HA SER A 64 -13.869 6.697 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.026 5.112 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.527 5.923 -7.209 1.00 0.00 H new ATOM 0 HG SER A 64 -11.665 7.075 -8.010 1.00 0.00 H new ATOM 971 N ALA A 65 -13.057 4.656 -3.211 1.00 0.00 N ATOM 972 CA ALA A 65 -13.174 3.309 -2.587 1.00 0.00 C ATOM 973 C ALA A 65 -14.642 2.920 -2.472 1.00 0.00 C ATOM 974 O ALA A 65 -15.489 3.728 -2.133 1.00 0.00 O ATOM 975 CB ALA A 65 -12.553 3.310 -1.195 1.00 0.00 C ATOM 0 H ALA A 65 -12.980 5.438 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.647 2.592 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.647 2.318 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.498 3.576 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.068 4.037 -0.567 1.00 0.00 H new ATOM 981 N LYS A 66 -14.935 1.679 -2.745 1.00 0.00 N ATOM 982 CA LYS A 66 -16.340 1.190 -2.664 1.00 0.00 C ATOM 983 C LYS A 66 -16.349 -0.251 -2.154 1.00 0.00 C ATOM 984 O LYS A 66 -15.333 -0.787 -1.763 1.00 0.00 O ATOM 985 CB LYS A 66 -16.981 1.237 -4.054 1.00 0.00 C ATOM 986 CG LYS A 66 -17.170 2.692 -4.489 1.00 0.00 C ATOM 987 CD LYS A 66 -18.632 3.099 -4.291 1.00 0.00 C ATOM 988 CE LYS A 66 -19.056 4.043 -5.418 1.00 0.00 C ATOM 989 NZ LYS A 66 -19.883 3.296 -6.407 1.00 0.00 N ATOM 0 H LYS A 66 -14.252 0.974 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.904 1.825 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.352 0.712 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.943 0.725 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.518 3.344 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.887 2.809 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.269 2.215 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.757 3.589 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.624 4.880 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.176 4.462 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.171 3.937 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.326 2.512 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.729 2.917 -5.936 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.491 -0.882 -2.154 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.569 -2.288 -1.669 1.00 0.00 C ATOM 1005 C ARG A 67 -16.564 -3.155 -2.432 1.00 0.00 C ATOM 1006 O ARG A 67 -15.863 -3.962 -1.855 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.983 -2.826 -1.895 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.995 -1.906 -1.210 1.00 0.00 C ATOM 1009 CD ARG A 67 -21.262 -1.813 -2.063 1.00 0.00 C ATOM 1010 NE ARG A 67 -22.453 -1.710 -1.173 1.00 0.00 N ATOM 1011 CZ ARG A 67 -23.184 -2.764 -0.936 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.628 -3.855 -0.486 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -24.471 -2.728 -1.151 1.00 0.00 N ATOM 0 H ARG A 67 -18.375 -0.483 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.333 -2.316 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.194 -2.886 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.067 -3.837 -1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.239 -2.290 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.564 -0.914 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.209 -0.944 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.348 -2.691 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 67 -22.697 -0.815 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.622 -3.884 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.199 -4.679 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -24.905 -1.875 -1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -25.042 -3.552 -0.966 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.497 -3.003 -3.727 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.549 -3.821 -4.528 1.00 0.00 C ATOM 1029 C ALA A 68 -14.107 -3.496 -4.128 1.00 0.00 C ATOM 1030 O ALA A 68 -13.210 -4.297 -4.303 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.743 -3.514 -6.013 1.00 0.00 C ATOM 0 H ALA A 68 -17.061 -2.345 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.743 -4.877 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.049 -4.113 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.766 -3.754 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.553 -2.456 -6.194 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.874 -2.326 -3.597 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.487 -1.952 -3.193 1.00 0.00 C ATOM 1039 C ASP A 69 -12.034 -2.827 -2.022 1.00 0.00 C ATOM 1040 O ASP A 69 -10.889 -2.790 -1.616 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.460 -0.482 -2.770 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.063 -0.123 -2.259 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.797 -0.372 -1.095 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.282 0.395 -3.041 1.00 0.00 O ATOM 0 H ASP A 69 -14.583 -1.613 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.813 -2.103 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.725 0.155 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.201 -0.303 -1.991 1.00 0.00 H new ATOM 1049 N SER A 70 -12.920 -3.612 -1.476 1.00 0.00 N ATOM 1050 CA SER A 70 -12.536 -4.486 -0.332 1.00 0.00 C ATOM 1051 C SER A 70 -11.605 -5.595 -0.825 1.00 0.00 C ATOM 1052 O SER A 70 -12.036 -6.553 -1.437 1.00 0.00 O ATOM 1053 CB SER A 70 -13.793 -5.110 0.275 1.00 0.00 C ATOM 1054 OG SER A 70 -13.417 -6.161 1.156 1.00 0.00 O ATOM 0 H SER A 70 -13.893 -3.686 -1.772 1.00 0.00 H new ATOM 0 HA SER A 70 -12.023 -3.891 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.364 -4.354 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.439 -5.495 -0.514 1.00 0.00 H new ATOM 0 HG SER A 70 -14.220 -6.562 1.548 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.331 -5.475 -0.567 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.380 -6.525 -1.025 1.00 0.00 C ATOM 1062 C GLY A 71 -8.177 -6.584 -0.081 1.00 0.00 C ATOM 1063 O GLY A 71 -8.113 -5.882 0.913 1.00 0.00 O ATOM 0 H GLY A 71 -9.909 -4.697 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.879 -7.493 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.047 -6.309 -2.040 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.215 -7.412 -0.390 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.013 -7.511 0.482 1.00 0.00 C ATOM 1069 C ASN A 72 -4.911 -6.642 -0.113 1.00 0.00 C ATOM 1070 O ASN A 72 -4.114 -7.091 -0.910 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.544 -8.966 0.547 1.00 0.00 C ATOM 1072 CG ASN A 72 -4.700 -9.174 1.805 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -3.738 -8.467 2.030 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.022 -10.123 2.642 1.00 0.00 N ATOM 0 H ASN A 72 -7.211 -8.022 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.252 -7.172 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.404 -9.636 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.960 -9.211 -0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.466 -10.270 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.830 -10.717 2.454 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.858 -5.398 0.262 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.811 -4.506 -0.295 1.00 0.00 C ATOM 1083 C TYR A 73 -2.446 -4.950 0.223 1.00 0.00 C ATOM 1084 O TYR A 73 -2.158 -4.874 1.399 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.110 -3.063 0.111 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.244 -2.557 -0.748 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.522 -3.119 -0.626 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.014 -1.548 -1.686 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.567 -2.666 -1.439 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.058 -1.097 -2.503 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.335 -1.657 -2.379 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.364 -1.213 -3.184 1.00 0.00 O ATOM 0 H TYR A 73 -5.494 -4.961 0.929 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.804 -4.564 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.380 -3.013 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.226 -2.440 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.700 -3.902 0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.029 -1.115 -1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.553 -3.096 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.878 -0.317 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.657 -0.328 -2.882 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.605 -5.428 -0.653 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.260 -5.893 -0.218 1.00 0.00 C ATOM 1104 C LYS A 74 0.806 -5.051 -0.908 1.00 0.00 C ATOM 1105 O LYS A 74 0.853 -4.963 -2.118 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.080 -7.363 -0.603 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.036 -8.220 0.662 1.00 0.00 C ATOM 1108 CD LYS A 74 -0.041 -9.701 0.277 1.00 0.00 C ATOM 1109 CE LYS A 74 -0.764 -10.506 1.358 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.074 -11.674 1.750 1.00 0.00 N ATOM 0 H LYS A 74 -1.793 -5.516 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.166 -5.789 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.900 -7.685 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.840 -7.490 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.858 -7.987 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.894 -7.995 1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.536 -9.836 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.981 -10.062 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.959 -9.877 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.731 -10.846 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.417 -12.222 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.238 -12.278 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.986 -11.338 2.120 1.00 0.00 H new ATOM 1124 N LEU A 75 1.660 -4.425 -0.151 1.00 0.00 N ATOM 1125 CA LEU A 75 2.716 -3.581 -0.770 1.00 0.00 C ATOM 1126 C LEU A 75 4.074 -4.265 -0.609 1.00 0.00 C ATOM 1127 O LEU A 75 4.361 -4.873 0.402 1.00 0.00 O ATOM 1128 CB LEU A 75 2.718 -2.212 -0.083 1.00 0.00 C ATOM 1129 CG LEU A 75 4.034 -1.478 -0.341 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.754 -0.163 -1.061 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.704 -1.178 0.998 1.00 0.00 C ATOM 0 H LEU A 75 1.673 -4.461 0.868 1.00 0.00 H new ATOM 0 HA LEU A 75 2.519 -3.448 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.884 -1.614 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.571 -2.338 0.990 1.00 0.00 H new ATOM 0 HG LEU A 75 4.684 -2.099 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.693 0.359 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.261 -0.366 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.107 0.460 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.644 -0.654 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.046 -0.553 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.901 -2.112 1.524 1.00 0.00 H new ATOM 1143 N LYS A 76 4.909 -4.169 -1.605 1.00 0.00 N ATOM 1144 CA LYS A 76 6.249 -4.809 -1.522 1.00 0.00 C ATOM 1145 C LYS A 76 7.297 -3.860 -2.105 1.00 0.00 C ATOM 1146 O LYS A 76 7.308 -3.583 -3.289 1.00 0.00 O ATOM 1147 CB LYS A 76 6.238 -6.114 -2.323 1.00 0.00 C ATOM 1148 CG LYS A 76 7.668 -6.631 -2.486 1.00 0.00 C ATOM 1149 CD LYS A 76 8.192 -7.118 -1.134 1.00 0.00 C ATOM 1150 CE LYS A 76 7.488 -8.421 -0.754 1.00 0.00 C ATOM 1151 NZ LYS A 76 8.318 -9.580 -1.189 1.00 0.00 N ATOM 0 H LYS A 76 4.720 -3.673 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 76 6.491 -5.024 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.627 -6.859 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.787 -5.948 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.691 -7.444 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.310 -5.840 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.269 -7.276 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.016 -6.361 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.327 -8.459 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.506 -8.467 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.839 -10.466 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.449 -9.545 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.245 -9.538 -0.720 1.00 0.00 H new ATOM 1165 N VAL A 77 8.179 -3.356 -1.286 1.00 0.00 N ATOM 1166 CA VAL A 77 9.220 -2.427 -1.802 1.00 0.00 C ATOM 1167 C VAL A 77 10.571 -3.149 -1.827 1.00 0.00 C ATOM 1168 O VAL A 77 10.831 -4.025 -1.027 1.00 0.00 O ATOM 1169 CB VAL A 77 9.285 -1.176 -0.910 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.880 -0.838 -0.408 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.196 -1.422 0.296 1.00 0.00 C ATOM 0 H VAL A 77 8.223 -3.547 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 77 8.970 -2.113 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 77 9.686 -0.350 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.923 0.049 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.226 -0.645 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.488 -1.676 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.230 -0.526 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.807 -2.254 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.201 -1.661 -0.050 1.00 0.00 H new ATOM 1181 N LYS A 78 11.425 -2.797 -2.747 1.00 0.00 N ATOM 1182 CA LYS A 78 12.750 -3.477 -2.826 1.00 0.00 C ATOM 1183 C LYS A 78 13.848 -2.452 -3.110 1.00 0.00 C ATOM 1184 O LYS A 78 13.610 -1.262 -3.138 1.00 0.00 O ATOM 1185 CB LYS A 78 12.735 -4.516 -3.951 1.00 0.00 C ATOM 1186 CG LYS A 78 11.653 -4.169 -4.978 1.00 0.00 C ATOM 1187 CD LYS A 78 10.375 -4.945 -4.655 1.00 0.00 C ATOM 1188 CE LYS A 78 9.784 -5.516 -5.945 1.00 0.00 C ATOM 1189 NZ LYS A 78 9.972 -6.994 -5.966 1.00 0.00 N ATOM 0 H LYS A 78 11.265 -2.071 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 78 12.948 -3.969 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.710 -4.550 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.550 -5.507 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.454 -3.097 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.997 -4.416 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.594 -5.751 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.652 -4.289 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.724 -5.273 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.269 -5.065 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.570 -7.383 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.987 -7.215 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.490 -7.417 -5.147 1.00 0.00 H new ATOM 1203 N ASN A 79 15.053 -2.911 -3.321 1.00 0.00 N ATOM 1204 CA ASN A 79 16.172 -1.971 -3.606 1.00 0.00 C ATOM 1205 C ASN A 79 17.462 -2.767 -3.831 1.00 0.00 C ATOM 1206 O ASN A 79 17.903 -3.505 -2.977 1.00 0.00 O ATOM 1207 CB ASN A 79 16.349 -1.020 -2.418 1.00 0.00 C ATOM 1208 CG ASN A 79 17.717 -0.341 -2.499 1.00 0.00 C ATOM 1209 OD1 ASN A 79 18.571 -0.572 -1.667 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.962 0.487 -3.476 1.00 0.00 N ATOM 0 H ASN A 79 15.309 -3.898 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 79 15.947 -1.392 -4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.559 -0.269 -2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.261 -1.572 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.872 0.942 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 79 17.243 0.680 -4.174 1.00 0.00 H new ATOM 1217 N GLU A 80 18.071 -2.614 -4.976 1.00 0.00 N ATOM 1218 CA GLU A 80 19.335 -3.351 -5.263 1.00 0.00 C ATOM 1219 C GLU A 80 19.233 -4.794 -4.755 1.00 0.00 C ATOM 1220 O GLU A 80 18.745 -5.667 -5.444 1.00 0.00 O ATOM 1221 CB GLU A 80 20.500 -2.642 -4.570 1.00 0.00 C ATOM 1222 CG GLU A 80 21.236 -1.760 -5.581 1.00 0.00 C ATOM 1223 CD GLU A 80 22.117 -2.633 -6.477 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.856 -3.823 -6.552 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.037 -2.097 -7.073 1.00 0.00 O ATOM 0 H GLU A 80 17.745 -2.007 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 80 19.503 -3.369 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.130 -2.035 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.185 -3.376 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.518 -1.207 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.847 -1.023 -5.059 1.00 0.00 H new ATOM 1232 N LEU A 81 19.695 -5.056 -3.560 1.00 0.00 N ATOM 1233 CA LEU A 81 19.626 -6.448 -3.027 1.00 0.00 C ATOM 1234 C LEU A 81 18.732 -6.486 -1.789 1.00 0.00 C ATOM 1235 O LEU A 81 18.239 -7.524 -1.395 1.00 0.00 O ATOM 1236 CB LEU A 81 21.032 -6.923 -2.656 1.00 0.00 C ATOM 1237 CG LEU A 81 21.498 -7.978 -3.662 1.00 0.00 C ATOM 1238 CD1 LEU A 81 20.565 -9.188 -3.602 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.472 -7.384 -5.072 1.00 0.00 C ATOM 0 H LEU A 81 20.115 -4.370 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 81 19.209 -7.104 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.723 -6.080 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.032 -7.340 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 81 22.513 -8.290 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 81 20.897 -9.939 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.583 -9.612 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.549 -8.877 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.804 -8.135 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.457 -7.072 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.137 -6.521 -5.116 1.00 0.00 H new ATOM 1251 N GLY A 82 18.519 -5.360 -1.179 1.00 0.00 N ATOM 1252 CA GLY A 82 17.653 -5.318 0.033 1.00 0.00 C ATOM 1253 C GLY A 82 16.201 -5.093 -0.391 1.00 0.00 C ATOM 1254 O GLY A 82 15.928 -4.669 -1.498 1.00 0.00 O ATOM 0 H GLY A 82 18.907 -4.461 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.741 -6.251 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.978 -4.518 0.699 1.00 0.00 H new ATOM 1258 N GLU A 83 15.265 -5.373 0.474 1.00 0.00 N ATOM 1259 CA GLU A 83 13.837 -5.170 0.104 1.00 0.00 C ATOM 1260 C GLU A 83 12.937 -5.452 1.308 1.00 0.00 C ATOM 1261 O GLU A 83 13.175 -6.361 2.079 1.00 0.00 O ATOM 1262 CB GLU A 83 13.468 -6.117 -1.039 1.00 0.00 C ATOM 1263 CG GLU A 83 14.000 -7.519 -0.735 1.00 0.00 C ATOM 1264 CD GLU A 83 12.836 -8.437 -0.357 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.907 -8.537 -1.142 1.00 0.00 O ATOM 1266 OE2 GLU A 83 12.894 -9.025 0.710 1.00 0.00 O ATOM 0 H GLU A 83 15.426 -5.731 1.415 1.00 0.00 H new ATOM 0 HA GLU A 83 13.695 -4.137 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.386 -6.147 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.888 -5.753 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.523 -7.917 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.723 -7.476 0.080 1.00 0.00 H new ATOM 1273 N ASP A 84 11.897 -4.680 1.466 1.00 0.00 N ATOM 1274 CA ASP A 84 10.965 -4.898 2.608 1.00 0.00 C ATOM 1275 C ASP A 84 9.531 -4.948 2.076 1.00 0.00 C ATOM 1276 O ASP A 84 9.296 -4.789 0.894 1.00 0.00 O ATOM 1277 CB ASP A 84 11.106 -3.754 3.614 1.00 0.00 C ATOM 1278 CG ASP A 84 12.573 -3.611 4.024 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.388 -3.348 3.156 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.857 -3.768 5.201 1.00 0.00 O ATOM 0 H ASP A 84 11.652 -3.904 0.851 1.00 0.00 H new ATOM 0 HA ASP A 84 11.204 -5.838 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.748 -2.823 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.490 -3.950 4.492 1.00 0.00 H new ATOM 1285 N GLU A 85 8.569 -5.178 2.928 1.00 0.00 N ATOM 1286 CA GLU A 85 7.163 -5.249 2.450 1.00 0.00 C ATOM 1287 C GLU A 85 6.194 -4.972 3.604 1.00 0.00 C ATOM 1288 O GLU A 85 6.513 -5.172 4.760 1.00 0.00 O ATOM 1289 CB GLU A 85 6.915 -6.649 1.881 1.00 0.00 C ATOM 1290 CG GLU A 85 6.588 -7.633 3.010 1.00 0.00 C ATOM 1291 CD GLU A 85 5.070 -7.748 3.166 1.00 0.00 C ATOM 1292 OE1 GLU A 85 4.391 -7.780 2.153 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.613 -7.802 4.296 1.00 0.00 O ATOM 0 H GLU A 85 8.697 -5.319 3.930 1.00 0.00 H new ATOM 0 HA GLU A 85 6.997 -4.497 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.092 -6.618 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.796 -6.989 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.016 -8.611 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.035 -7.292 3.944 1.00 0.00 H new ATOM 1300 N ALA A 86 5.009 -4.523 3.293 1.00 0.00 N ATOM 1301 CA ALA A 86 4.010 -4.242 4.360 1.00 0.00 C ATOM 1302 C ALA A 86 2.650 -4.806 3.935 1.00 0.00 C ATOM 1303 O ALA A 86 2.271 -4.739 2.780 1.00 0.00 O ATOM 1304 CB ALA A 86 3.901 -2.732 4.574 1.00 0.00 C ATOM 0 H ALA A 86 4.690 -4.338 2.342 1.00 0.00 H new ATOM 0 HA ALA A 86 4.324 -4.712 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.169 -2.527 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.872 -2.336 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.584 -2.255 3.646 1.00 0.00 H new ATOM 1310 N ILE A 87 1.918 -5.370 4.858 1.00 0.00 N ATOM 1311 CA ILE A 87 0.589 -5.948 4.508 1.00 0.00 C ATOM 1312 C ILE A 87 -0.510 -4.915 4.766 1.00 0.00 C ATOM 1313 O ILE A 87 -0.416 -4.105 5.666 1.00 0.00 O ATOM 1314 CB ILE A 87 0.341 -7.193 5.367 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.865 -7.967 4.818 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.076 -6.779 6.817 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.169 -7.244 5.173 1.00 0.00 C ATOM 0 H ILE A 87 2.183 -5.455 5.839 1.00 0.00 H new ATOM 0 HA ILE A 87 0.577 -6.222 3.453 1.00 0.00 H new ATOM 0 HB ILE A 87 1.223 -7.833 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.780 -8.066 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.877 -8.976 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.100 -7.668 7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.940 -6.240 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.802 -6.134 6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.015 -7.805 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.259 -7.168 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.161 -6.244 4.738 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.555 -4.938 3.981 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.661 -3.960 4.181 1.00 0.00 C ATOM 1331 C PHE A 88 -3.994 -4.597 3.780 1.00 0.00 C ATOM 1332 O PHE A 88 -4.431 -4.485 2.652 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.421 -2.722 3.313 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.048 -2.162 3.591 1.00 0.00 C ATOM 1335 CD1 PHE A 88 0.075 -2.727 2.978 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.900 -1.073 4.459 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.348 -2.205 3.234 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.373 -0.551 4.714 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.497 -1.118 4.102 1.00 0.00 C ATOM 0 H PHE A 88 -1.689 -5.593 3.210 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.692 -3.672 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.511 -2.983 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.180 -1.968 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.040 -3.566 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.768 -0.636 4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.216 -2.641 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.488 0.289 5.383 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.480 -0.716 4.300 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.657 -5.249 4.693 1.00 0.00 N ATOM 1350 CA GLU A 89 -5.967 -5.867 4.348 1.00 0.00 C ATOM 1351 C GLU A 89 -7.023 -4.765 4.348 1.00 0.00 C ATOM 1352 O GLU A 89 -7.419 -4.276 5.385 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.327 -6.929 5.389 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.183 -8.320 4.771 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.412 -9.162 5.116 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.466 -8.889 4.566 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.278 -10.065 5.925 1.00 0.00 O ATOM 0 H GLU A 89 -4.351 -5.380 5.657 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.916 -6.343 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.676 -6.837 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.348 -6.779 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.076 -8.240 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.281 -8.804 5.145 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.463 -4.346 3.193 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.466 -3.248 3.144 1.00 0.00 C ATOM 1366 C VAL A 90 -9.864 -3.807 2.892 1.00 0.00 C ATOM 1367 O VAL A 90 -10.086 -4.575 1.978 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.099 -2.278 2.020 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.950 -1.013 2.141 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.617 -1.907 2.130 1.00 0.00 C ATOM 0 H VAL A 90 -7.173 -4.714 2.287 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.464 -2.729 4.102 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.285 -2.751 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.689 -0.321 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.005 -1.276 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.763 -0.540 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.355 -1.216 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.431 -1.433 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.009 -2.808 2.045 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.813 -3.408 3.692 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.204 -3.893 3.497 1.00 0.00 C ATOM 1382 C ILE A 91 -13.118 -2.692 3.253 1.00 0.00 C ATOM 1383 O ILE A 91 -12.741 -1.559 3.477 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.673 -4.643 4.743 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.961 -5.996 4.824 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.182 -4.865 4.649 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.583 -5.810 5.462 1.00 0.00 C ATOM 0 H ILE A 91 -10.683 -2.766 4.474 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.238 -4.568 2.642 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.440 -4.061 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.554 -6.696 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.857 -6.425 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.527 -5.400 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.688 -3.902 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.409 -5.452 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.076 -6.773 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.991 -5.124 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.699 -5.400 6.465 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.314 -2.925 2.787 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.239 -1.791 2.524 1.00 0.00 C ATOM 1401 C VAL A 92 -16.610 -2.090 3.126 1.00 0.00 C ATOM 1402 O VAL A 92 -17.132 -3.180 2.998 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.366 -1.596 1.017 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.077 -0.273 0.722 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.965 -1.574 0.408 1.00 0.00 C ATOM 0 H VAL A 92 -14.689 -3.850 2.578 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.846 -0.882 2.980 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.948 -2.411 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.165 -0.140 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.072 -0.287 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.502 0.551 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.039 -1.435 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.393 -0.753 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.462 -2.518 0.618 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.198 -1.130 3.784 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.537 -1.362 4.396 1.00 0.00 C ATOM 1417 C GLN A 93 -19.484 -0.231 3.996 1.00 0.00 C ATOM 1418 O GLN A 93 -20.609 -0.528 3.630 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.403 -1.400 5.920 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.497 -0.258 6.383 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.212 -0.406 7.878 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -17.592 0.435 8.668 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -16.553 -1.449 8.303 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.068 0.912 4.063 1.00 0.00 O ATOM 0 H GLN A 93 -16.811 -0.197 3.924 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.937 -2.313 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -19.385 -1.310 6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -17.988 -2.358 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.563 -0.270 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.975 0.702 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -16.234 -2.155 7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.357 -1.558 9.298 1.00 0.00 H new