USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 606 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 Set 1.1: A 6 THR OG1 : rot 144:sc= 0.32 USER MOD Set 1.2: A 17 GLN : amide:sc= -0.456 X(o=-0.14,f=-0.0084) USER MOD Single : A 1 GLY N :NH3+ 169:sc= 0 (180deg=-0.112) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -166:sc= -0.015 (180deg=-0.27) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0.862) USER MOD Single : A 11 TYR OH : rot 0:sc= 0.163 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.17) USER MOD Single : A 21 SER OG : rot -86:sc= 1.04 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -122:sc= 1.26 (180deg=0.335) USER MOD Single : A 34 HIS : no HE2:sc= -0.851 K(o=-0.85,f=-3.9!) USER MOD Single : A 37 TYR OH : rot -152:sc= 1.21 USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= -0.329 (180deg=-1.39!) USER MOD Single : A 46 MET CE :methyl 136:sc= -0.36 (180deg=-1.14) USER MOD Single : A 48 MET CE :methyl 176:sc= -0.546 (180deg=-0.584) USER MOD Single : A 50 SER OG : rot -134:sc= 2.3 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.199 F(o=-0.79,f=-0.2) USER MOD Single : A 61 MET CE :methyl 174:sc= -0.133 (180deg=-0.235) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.953 X(o=-0.95,f=-0.47) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 30:sc= 0.914 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.916 2.005 -6.665 1.00 10.00 N ATOM 2 CA GLY A 1 -19.549 3.123 -5.992 1.00 10.00 C ATOM 3 C GLY A 1 -18.633 3.762 -4.971 1.00 10.00 C ATOM 4 O GLY A 1 -19.064 4.133 -3.878 1.00 10.00 O ATOM 0 H1 GLY A 1 -19.628 1.483 -7.215 1.00 10.00 H new ATOM 0 H2 GLY A 1 -18.176 2.359 -7.304 1.00 10.00 H new ATOM 0 H3 GLY A 1 -18.490 1.371 -5.959 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -19.846 3.869 -6.729 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -20.459 2.781 -5.499 1.00 10.00 H new ATOM 8 N SER A 2 -17.368 3.884 -5.330 1.00 10.00 N ATOM 9 CA SER A 2 -16.373 4.477 -4.455 1.00 10.00 C ATOM 10 C SER A 2 -16.370 5.999 -4.612 1.00 10.00 C ATOM 11 O SER A 2 -16.088 6.516 -5.697 1.00 10.00 O ATOM 12 CB SER A 2 -14.994 3.903 -4.796 1.00 10.00 C ATOM 13 OG SER A 2 -15.102 2.553 -5.226 1.00 10.00 O ATOM 0 H SER A 2 -17.003 3.577 -6.231 1.00 10.00 H new ATOM 0 HA SER A 2 -16.615 4.241 -3.419 1.00 10.00 H new ATOM 0 HB2 SER A 2 -14.529 4.503 -5.578 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.345 3.960 -3.922 1.00 10.00 H new ATOM 0 HG SER A 2 -14.211 2.206 -5.440 1.00 10.00 H new ATOM 19 N HIS A 3 -16.702 6.713 -3.545 1.00 10.00 N ATOM 20 CA HIS A 3 -16.734 8.172 -3.591 1.00 10.00 C ATOM 21 C HIS A 3 -15.425 8.754 -3.080 1.00 10.00 C ATOM 22 O HIS A 3 -15.122 9.927 -3.306 1.00 10.00 O ATOM 23 CB HIS A 3 -17.911 8.713 -2.773 1.00 10.00 C ATOM 24 CG HIS A 3 -19.223 8.648 -3.497 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.782 9.771 -4.068 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.040 7.587 -3.719 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.914 9.370 -4.618 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.111 8.061 -4.431 1.00 10.00 N ATOM 0 H HIS A 3 -16.952 6.311 -2.642 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.866 8.476 -4.630 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -17.989 8.147 -1.845 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.707 9.748 -2.499 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.878 6.569 -3.398 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.594 10.018 -5.151 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.909 7.517 -4.757 1.00 10.00 H new ATOM 36 N MET A 4 -14.646 7.928 -2.399 1.00 10.00 N ATOM 37 CA MET A 4 -13.366 8.361 -1.861 1.00 10.00 C ATOM 38 C MET A 4 -12.272 8.219 -2.911 1.00 10.00 C ATOM 39 O MET A 4 -12.535 7.828 -4.050 1.00 10.00 O ATOM 40 CB MET A 4 -13.003 7.557 -0.610 1.00 10.00 C ATOM 41 CG MET A 4 -13.969 7.747 0.546 1.00 10.00 C ATOM 42 SD MET A 4 -14.033 9.454 1.128 1.00 10.00 S ATOM 43 CE MET A 4 -12.407 9.629 1.862 1.00 10.00 C ATOM 0 H MET A 4 -14.878 6.954 -2.206 1.00 10.00 H new ATOM 0 HA MET A 4 -13.452 9.412 -1.583 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.965 6.499 -0.869 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.002 7.842 -0.285 1.00 10.00 H new ATOM 0 HG2 MET A 4 -14.966 7.436 0.235 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.675 7.097 1.370 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.380 10.529 2.477 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.192 8.759 2.482 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.658 9.706 1.074 1.00 10.00 H new ATOM 53 N ALA A 5 -11.047 8.539 -2.527 1.00 10.00 N ATOM 54 CA ALA A 5 -9.916 8.452 -3.437 1.00 10.00 C ATOM 55 C ALA A 5 -9.267 7.073 -3.374 1.00 10.00 C ATOM 56 O ALA A 5 -9.184 6.461 -2.307 1.00 10.00 O ATOM 57 CB ALA A 5 -8.896 9.534 -3.114 1.00 10.00 C ATOM 0 H ALA A 5 -10.810 8.862 -1.589 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.283 8.606 -4.452 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.054 9.458 -3.802 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.361 10.515 -3.216 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.541 9.406 -2.091 1.00 10.00 H new ATOM 63 N THR A 6 -8.817 6.591 -4.519 1.00 10.00 N ATOM 64 CA THR A 6 -8.174 5.293 -4.607 1.00 10.00 C ATOM 65 C THR A 6 -6.663 5.459 -4.709 1.00 10.00 C ATOM 66 O THR A 6 -6.176 6.371 -5.380 1.00 10.00 O ATOM 67 CB THR A 6 -8.691 4.505 -5.823 1.00 10.00 C ATOM 68 OG1 THR A 6 -8.930 5.403 -6.916 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.972 3.762 -5.480 1.00 10.00 C ATOM 0 H THR A 6 -8.887 7.085 -5.409 1.00 10.00 H new ATOM 0 HA THR A 6 -8.416 4.735 -3.702 1.00 10.00 H new ATOM 0 HB THR A 6 -7.934 3.775 -6.109 1.00 10.00 H new ATOM 0 HG1 THR A 6 -8.689 4.964 -7.759 1.00 10.00 H new ATOM 0 HG21 THR A 6 -10.319 3.212 -6.355 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.781 3.064 -4.665 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.736 4.476 -5.174 1.00 10.00 H new ATOM 77 N VAL A 7 -5.924 4.591 -4.036 1.00 10.00 N ATOM 78 CA VAL A 7 -4.471 4.660 -4.058 1.00 10.00 C ATOM 79 C VAL A 7 -3.879 3.474 -4.812 1.00 10.00 C ATOM 80 O VAL A 7 -4.140 2.316 -4.476 1.00 10.00 O ATOM 81 CB VAL A 7 -3.881 4.694 -2.633 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.398 5.031 -2.674 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.627 5.692 -1.760 1.00 10.00 C ATOM 0 H VAL A 7 -6.305 3.833 -3.470 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.208 5.586 -4.570 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.999 3.702 -2.196 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.001 5.050 -1.659 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.869 4.276 -3.256 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.260 6.008 -3.136 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.192 5.697 -0.760 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.547 6.688 -2.196 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.677 5.407 -1.697 1.00 10.00 H new ATOM 93 N LYS A 8 -3.098 3.766 -5.842 1.00 10.00 N ATOM 94 CA LYS A 8 -2.459 2.723 -6.628 1.00 10.00 C ATOM 95 C LYS A 8 -1.086 2.410 -6.048 1.00 10.00 C ATOM 96 O LYS A 8 -0.313 3.316 -5.734 1.00 10.00 O ATOM 97 CB LYS A 8 -2.348 3.142 -8.095 1.00 10.00 C ATOM 98 CG LYS A 8 -3.652 2.989 -8.862 1.00 10.00 C ATOM 99 CD LYS A 8 -3.529 3.472 -10.296 1.00 10.00 C ATOM 100 CE LYS A 8 -4.802 3.182 -11.074 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.778 3.772 -12.438 1.00 10.00 N ATOM 0 H LYS A 8 -2.892 4.716 -6.152 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.072 1.823 -6.585 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -2.024 4.181 -8.146 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.577 2.544 -8.580 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.955 1.942 -8.857 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.438 3.550 -8.357 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.326 4.543 -10.308 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.683 2.982 -10.778 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.941 2.104 -11.150 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.658 3.576 -10.526 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.667 3.547 -12.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -4.672 4.804 -12.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.978 3.378 -12.973 1.00 10.00 H new ATOM 115 N PHE A 9 -0.795 1.131 -5.888 1.00 10.00 N ATOM 116 CA PHE A 9 0.474 0.698 -5.327 1.00 10.00 C ATOM 117 C PHE A 9 1.220 -0.206 -6.291 1.00 10.00 C ATOM 118 O PHE A 9 0.629 -0.803 -7.189 1.00 10.00 O ATOM 119 CB PHE A 9 0.251 -0.068 -4.023 1.00 10.00 C ATOM 120 CG PHE A 9 -0.354 0.744 -2.915 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.727 0.792 -2.746 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.453 1.439 -2.030 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.284 1.521 -1.716 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.099 2.171 -1.000 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.471 2.210 -0.841 1.00 10.00 C ATOM 0 H PHE A 9 -1.425 0.369 -6.140 1.00 10.00 H new ATOM 0 HA PHE A 9 1.065 1.594 -5.138 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.396 -0.922 -4.225 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.207 -0.466 -3.683 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.369 0.253 -3.427 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.526 1.407 -2.148 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.357 1.552 -1.595 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.540 2.713 -0.319 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.906 2.779 -0.033 1.00 10.00 H new ATOM 135 N LYS A 10 2.524 -0.299 -6.093 1.00 10.00 N ATOM 136 CA LYS A 10 3.366 -1.153 -6.905 1.00 10.00 C ATOM 137 C LYS A 10 3.917 -2.272 -6.030 1.00 10.00 C ATOM 138 O LYS A 10 5.035 -2.194 -5.519 1.00 10.00 O ATOM 139 CB LYS A 10 4.504 -0.354 -7.539 1.00 10.00 C ATOM 140 CG LYS A 10 5.279 -1.131 -8.590 1.00 10.00 C ATOM 141 CD LYS A 10 6.395 -0.296 -9.188 1.00 10.00 C ATOM 142 CE LYS A 10 7.441 -1.165 -9.866 1.00 10.00 C ATOM 143 NZ LYS A 10 8.485 -0.348 -10.531 1.00 10.00 N ATOM 0 H LYS A 10 3.025 0.214 -5.367 1.00 10.00 H new ATOM 0 HA LYS A 10 2.775 -1.579 -7.716 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.094 0.548 -7.994 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.191 -0.032 -6.756 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.697 -2.033 -8.142 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.600 -1.453 -9.380 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.978 0.405 -9.912 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.866 0.297 -8.405 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.906 -1.818 -9.128 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.958 -1.808 -10.602 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.266 -0.964 -10.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.077 0.129 -11.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.845 0.365 -9.865 1.00 10.00 H new ATOM 157 N TYR A 11 3.107 -3.297 -5.842 1.00 10.00 N ATOM 158 CA TYR A 11 3.470 -4.437 -5.018 1.00 10.00 C ATOM 159 C TYR A 11 4.326 -5.417 -5.816 1.00 10.00 C ATOM 160 O TYR A 11 3.825 -6.140 -6.676 1.00 10.00 O ATOM 161 CB TYR A 11 2.190 -5.097 -4.475 1.00 10.00 C ATOM 162 CG TYR A 11 2.275 -6.594 -4.257 1.00 10.00 C ATOM 163 CD1 TYR A 11 2.996 -7.124 -3.198 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.625 -7.473 -5.114 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.070 -8.490 -3.004 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.695 -8.833 -4.926 1.00 10.00 C ATOM 167 CZ TYR A 11 2.417 -9.339 -3.873 1.00 10.00 C ATOM 168 OH TYR A 11 2.484 -10.702 -3.689 1.00 10.00 O ATOM 0 H TYR A 11 2.177 -3.364 -6.256 1.00 10.00 H new ATOM 0 HA TYR A 11 4.069 -4.108 -4.169 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.930 -4.623 -3.529 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.374 -4.893 -5.168 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.506 -6.460 -2.516 1.00 10.00 H new ATOM 0 HD2 TYR A 11 1.054 -7.081 -5.943 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.636 -8.891 -2.176 1.00 10.00 H new ATOM 0 HE2 TYR A 11 1.184 -9.501 -5.604 1.00 10.00 H new ATOM 0 HH TYR A 11 3.033 -10.899 -2.901 1.00 10.00 H new ATOM 178 N LYS A 12 5.632 -5.390 -5.551 1.00 10.00 N ATOM 179 CA LYS A 12 6.596 -6.266 -6.225 1.00 10.00 C ATOM 180 C LYS A 12 6.560 -6.067 -7.746 1.00 10.00 C ATOM 181 O LYS A 12 7.041 -6.905 -8.512 1.00 10.00 O ATOM 182 CB LYS A 12 6.323 -7.732 -5.870 1.00 10.00 C ATOM 183 CG LYS A 12 7.554 -8.619 -5.960 1.00 10.00 C ATOM 184 CD LYS A 12 7.234 -10.067 -5.614 1.00 10.00 C ATOM 185 CE LYS A 12 8.455 -10.961 -5.769 1.00 10.00 C ATOM 186 NZ LYS A 12 8.185 -12.355 -5.324 1.00 10.00 N ATOM 0 H LYS A 12 6.053 -4.763 -4.865 1.00 10.00 H new ATOM 0 HA LYS A 12 7.594 -6.000 -5.876 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.922 -7.783 -4.858 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.555 -8.122 -6.538 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.965 -8.569 -6.968 1.00 10.00 H new ATOM 0 HG3 LYS A 12 8.322 -8.245 -5.283 1.00 10.00 H new ATOM 0 HD2 LYS A 12 6.867 -10.125 -4.589 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.433 -10.428 -6.260 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.769 -10.968 -6.813 1.00 10.00 H new ATOM 0 HE3 LYS A 12 9.282 -10.549 -5.190 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.042 -12.931 -5.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 7.910 -12.352 -4.321 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 7.413 -12.758 -5.893 1.00 10.00 H new ATOM 200 N GLY A 13 6.018 -4.935 -8.172 1.00 10.00 N ATOM 201 CA GLY A 13 5.908 -4.643 -9.587 1.00 10.00 C ATOM 202 C GLY A 13 4.466 -4.651 -10.059 1.00 10.00 C ATOM 203 O GLY A 13 4.125 -4.027 -11.066 1.00 10.00 O ATOM 0 H GLY A 13 5.650 -4.209 -7.558 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.351 -3.668 -9.791 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.479 -5.378 -10.154 1.00 10.00 H new ATOM 207 N GLU A 14 3.618 -5.345 -9.314 1.00 10.00 N ATOM 208 CA GLU A 14 2.201 -5.458 -9.634 1.00 10.00 C ATOM 209 C GLU A 14 1.458 -4.188 -9.226 1.00 10.00 C ATOM 210 O GLU A 14 1.448 -3.816 -8.051 1.00 10.00 O ATOM 211 CB GLU A 14 1.612 -6.672 -8.908 1.00 10.00 C ATOM 212 CG GLU A 14 0.296 -7.164 -9.480 1.00 10.00 C ATOM 213 CD GLU A 14 -0.226 -8.386 -8.751 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.588 -9.176 -8.231 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.455 -8.571 -8.701 1.00 10.00 O ATOM 0 H GLU A 14 3.893 -5.847 -8.469 1.00 10.00 H new ATOM 0 HA GLU A 14 2.087 -5.589 -10.710 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.336 -7.486 -8.940 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.466 -6.417 -7.858 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.444 -6.366 -9.423 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.427 -7.402 -10.536 1.00 10.00 H new ATOM 222 N GLU A 15 0.848 -3.523 -10.197 1.00 10.00 N ATOM 223 CA GLU A 15 0.111 -2.292 -9.935 1.00 10.00 C ATOM 224 C GLU A 15 -1.311 -2.597 -9.465 1.00 10.00 C ATOM 225 O GLU A 15 -2.177 -2.970 -10.262 1.00 10.00 O ATOM 226 CB GLU A 15 0.072 -1.406 -11.186 1.00 10.00 C ATOM 227 CG GLU A 15 -0.475 -0.007 -10.927 1.00 10.00 C ATOM 228 CD GLU A 15 -0.816 0.739 -12.201 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.076 1.675 -12.571 1.00 10.00 O ATOM 230 OE2 GLU A 15 -1.830 0.396 -12.841 1.00 10.00 O ATOM 0 H GLU A 15 0.848 -3.814 -11.174 1.00 10.00 H new ATOM 0 HA GLU A 15 0.631 -1.755 -9.142 1.00 10.00 H new ATOM 0 HB2 GLU A 15 1.079 -1.323 -11.594 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.541 -1.891 -11.946 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.367 -0.081 -10.305 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.260 0.566 -10.362 1.00 10.00 H new ATOM 237 N LYS A 16 -1.541 -2.446 -8.170 1.00 10.00 N ATOM 238 CA LYS A 16 -2.854 -2.694 -7.587 1.00 10.00 C ATOM 239 C LYS A 16 -3.498 -1.379 -7.179 1.00 10.00 C ATOM 240 O LYS A 16 -2.810 -0.377 -6.986 1.00 10.00 O ATOM 241 CB LYS A 16 -2.741 -3.605 -6.363 1.00 10.00 C ATOM 242 CG LYS A 16 -2.208 -5.000 -6.667 1.00 10.00 C ATOM 243 CD LYS A 16 -2.622 -5.993 -5.591 1.00 10.00 C ATOM 244 CE LYS A 16 -1.865 -7.305 -5.716 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.511 -8.403 -4.949 1.00 10.00 N ATOM 0 H LYS A 16 -0.832 -2.151 -7.498 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.472 -3.187 -8.337 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -2.088 -3.131 -5.631 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.724 -3.697 -5.901 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.582 -5.332 -7.635 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.121 -4.969 -6.739 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -2.440 -5.560 -4.607 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.693 -6.182 -5.663 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.802 -7.587 -6.767 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.844 -7.168 -5.361 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.173 -9.320 -5.304 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.270 -8.311 -3.942 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.543 -8.346 -5.064 1.00 10.00 H new ATOM 259 N GLN A 17 -4.815 -1.378 -7.047 1.00 10.00 N ATOM 260 CA GLN A 17 -5.528 -0.178 -6.649 1.00 10.00 C ATOM 261 C GLN A 17 -6.330 -0.449 -5.387 1.00 10.00 C ATOM 262 O GLN A 17 -7.350 -1.138 -5.416 1.00 10.00 O ATOM 263 CB GLN A 17 -6.449 0.307 -7.766 1.00 10.00 C ATOM 264 CG GLN A 17 -7.051 1.678 -7.497 1.00 10.00 C ATOM 265 CD GLN A 17 -7.944 2.165 -8.616 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.987 3.358 -8.910 1.00 10.00 O ATOM 267 NE2 GLN A 17 -8.687 1.257 -9.223 1.00 10.00 N ATOM 0 H GLN A 17 -5.408 -2.192 -7.209 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.798 0.606 -6.449 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.889 0.341 -8.700 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.254 -0.415 -7.903 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.626 1.640 -6.572 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.247 2.397 -7.343 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -8.621 0.277 -8.948 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -9.327 1.536 -9.967 1.00 10.00 H new ATOM 276 N VAL A 18 -5.864 0.095 -4.278 1.00 10.00 N ATOM 277 CA VAL A 18 -6.526 -0.100 -3.005 1.00 10.00 C ATOM 278 C VAL A 18 -7.268 1.159 -2.581 1.00 10.00 C ATOM 279 O VAL A 18 -6.705 2.256 -2.578 1.00 10.00 O ATOM 280 CB VAL A 18 -5.524 -0.496 -1.902 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.243 -0.757 -0.587 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.716 -1.718 -2.325 1.00 10.00 C ATOM 0 H VAL A 18 -5.027 0.677 -4.235 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.240 -0.913 -3.137 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.836 0.336 -1.753 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.516 -1.035 0.176 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.770 0.145 -0.275 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -6.959 -1.568 -0.719 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.014 -1.982 -1.534 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.390 -2.555 -2.506 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.165 -1.492 -3.238 1.00 10.00 H new ATOM 292 N ASP A 19 -8.543 0.994 -2.264 1.00 10.00 N ATOM 293 CA ASP A 19 -9.378 2.099 -1.812 1.00 10.00 C ATOM 294 C ASP A 19 -8.888 2.585 -0.451 1.00 10.00 C ATOM 295 O ASP A 19 -8.437 1.785 0.373 1.00 10.00 O ATOM 296 CB ASP A 19 -10.836 1.640 -1.720 1.00 10.00 C ATOM 297 CG ASP A 19 -11.825 2.781 -1.569 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.767 3.496 -0.547 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.685 2.941 -2.459 1.00 10.00 O ATOM 0 H ASP A 19 -9.027 0.097 -2.312 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.314 2.921 -2.525 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.086 1.070 -2.615 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.942 0.964 -0.872 1.00 10.00 H new ATOM 304 N ILE A 20 -8.985 3.884 -0.208 1.00 10.00 N ATOM 305 CA ILE A 20 -8.531 4.458 1.052 1.00 10.00 C ATOM 306 C ILE A 20 -9.323 3.900 2.243 1.00 10.00 C ATOM 307 O ILE A 20 -8.833 3.887 3.375 1.00 10.00 O ATOM 308 CB ILE A 20 -8.611 6.004 1.029 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.839 6.603 2.209 1.00 10.00 C ATOM 310 CG2 ILE A 20 -10.057 6.475 1.042 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.605 8.094 2.088 1.00 10.00 C ATOM 0 H ILE A 20 -9.373 4.560 -0.865 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.487 4.171 1.175 1.00 10.00 H new ATOM 0 HB ILE A 20 -8.150 6.351 0.104 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.388 6.404 3.130 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.877 6.099 2.296 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -10.085 7.565 1.025 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.574 6.085 0.165 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.549 6.113 1.945 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -7.053 8.448 2.959 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -7.029 8.300 1.186 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.564 8.609 2.032 1.00 10.00 H new ATOM 323 N SER A 21 -10.529 3.408 1.981 1.00 10.00 N ATOM 324 CA SER A 21 -11.369 2.843 3.030 1.00 10.00 C ATOM 325 C SER A 21 -10.926 1.419 3.368 1.00 10.00 C ATOM 326 O SER A 21 -11.272 0.877 4.422 1.00 10.00 O ATOM 327 CB SER A 21 -12.843 2.854 2.601 1.00 10.00 C ATOM 328 OG SER A 21 -13.013 2.253 1.328 1.00 10.00 O ATOM 0 H SER A 21 -10.947 3.389 1.051 1.00 10.00 H new ATOM 0 HA SER A 21 -11.261 3.459 3.923 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.443 2.322 3.340 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.208 3.881 2.573 1.00 10.00 H new ATOM 0 HG SER A 21 -12.869 2.924 0.628 1.00 10.00 H new ATOM 334 N LYS A 22 -10.145 0.819 2.477 1.00 10.00 N ATOM 335 CA LYS A 22 -9.662 -0.542 2.674 1.00 10.00 C ATOM 336 C LYS A 22 -8.343 -0.543 3.432 1.00 10.00 C ATOM 337 O LYS A 22 -7.995 -1.528 4.085 1.00 10.00 O ATOM 338 CB LYS A 22 -9.479 -1.248 1.329 1.00 10.00 C ATOM 339 CG LYS A 22 -10.771 -1.445 0.556 1.00 10.00 C ATOM 340 CD LYS A 22 -10.497 -2.001 -0.832 1.00 10.00 C ATOM 341 CE LYS A 22 -11.772 -2.168 -1.640 1.00 10.00 C ATOM 342 NZ LYS A 22 -11.546 -3.031 -2.827 1.00 10.00 N ATOM 0 H LYS A 22 -9.832 1.255 1.609 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.407 -1.079 3.261 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -8.786 -0.670 0.718 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.018 -2.221 1.500 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.425 -2.125 1.101 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.298 -0.494 0.473 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -9.817 -1.334 -1.362 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.995 -2.964 -0.744 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.549 -2.604 -1.012 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.133 -1.191 -1.961 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -12.434 -3.128 -3.360 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.821 -2.601 -3.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.224 -3.970 -2.517 1.00 10.00 H new ATOM 356 N ILE A 23 -7.613 0.563 3.338 1.00 10.00 N ATOM 357 CA ILE A 23 -6.325 0.693 4.009 1.00 10.00 C ATOM 358 C ILE A 23 -6.485 0.621 5.528 1.00 10.00 C ATOM 359 O ILE A 23 -7.191 1.431 6.134 1.00 10.00 O ATOM 360 CB ILE A 23 -5.621 2.015 3.627 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.453 2.110 2.105 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.267 2.116 4.319 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.850 3.419 1.637 1.00 10.00 C ATOM 0 H ILE A 23 -7.892 1.385 2.802 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.707 -0.141 3.677 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.242 2.847 3.960 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.822 1.288 1.766 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.427 1.980 1.632 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.784 3.053 4.039 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.408 2.089 5.400 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.639 1.279 4.014 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.763 3.411 0.551 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.491 4.245 1.944 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.862 3.543 2.080 1.00 10.00 H new ATOM 375 N LEU A 24 -5.832 -0.359 6.133 1.00 10.00 N ATOM 376 CA LEU A 24 -5.898 -0.544 7.573 1.00 10.00 C ATOM 377 C LEU A 24 -4.781 0.228 8.259 1.00 10.00 C ATOM 378 O LEU A 24 -5.034 1.145 9.041 1.00 10.00 O ATOM 379 CB LEU A 24 -5.798 -2.032 7.919 1.00 10.00 C ATOM 380 CG LEU A 24 -6.973 -2.888 7.447 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.573 -4.354 7.397 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.170 -2.695 8.363 1.00 10.00 C ATOM 0 H LEU A 24 -5.249 -1.040 5.647 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.855 -0.162 7.929 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.881 -2.429 7.484 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.707 -2.132 9.001 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.252 -2.571 6.442 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.420 -4.951 7.059 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.741 -4.481 6.705 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.271 -4.683 8.391 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.999 -3.311 8.014 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -7.902 -2.988 9.378 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.469 -1.647 8.355 1.00 10.00 H new ATOM 394 N SER A 25 -3.543 -0.121 7.938 1.00 10.00 N ATOM 395 CA SER A 25 -2.393 0.533 8.539 1.00 10.00 C ATOM 396 C SER A 25 -1.211 0.571 7.572 1.00 10.00 C ATOM 397 O SER A 25 -0.973 -0.384 6.828 1.00 10.00 O ATOM 398 CB SER A 25 -2.005 -0.196 9.829 1.00 10.00 C ATOM 399 OG SER A 25 -2.305 -1.581 9.745 1.00 10.00 O ATOM 0 H SER A 25 -3.311 -0.852 7.266 1.00 10.00 H new ATOM 0 HA SER A 25 -2.662 1.563 8.773 1.00 10.00 H new ATOM 0 HB2 SER A 25 -0.940 -0.063 10.019 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.537 0.244 10.673 1.00 10.00 H new ATOM 0 HG SER A 25 -2.046 -2.023 10.580 1.00 10.00 H new ATOM 405 N VAL A 26 -0.489 1.686 7.574 1.00 10.00 N ATOM 406 CA VAL A 26 0.676 1.858 6.717 1.00 10.00 C ATOM 407 C VAL A 26 1.936 1.983 7.571 1.00 10.00 C ATOM 408 O VAL A 26 2.005 2.836 8.460 1.00 10.00 O ATOM 409 CB VAL A 26 0.543 3.109 5.817 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.771 3.264 4.932 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.723 3.037 4.974 1.00 10.00 C ATOM 0 H VAL A 26 -0.694 2.491 8.166 1.00 10.00 H new ATOM 0 HA VAL A 26 0.745 0.980 6.074 1.00 10.00 H new ATOM 0 HB VAL A 26 0.471 3.986 6.460 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.659 4.149 4.306 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.658 3.371 5.556 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.877 2.383 4.299 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.795 3.927 4.349 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.688 2.151 4.340 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.593 2.981 5.628 1.00 10.00 H new ATOM 421 N GLY A 27 2.917 1.131 7.306 1.00 10.00 N ATOM 422 CA GLY A 27 4.148 1.162 8.066 1.00 10.00 C ATOM 423 C GLY A 27 5.368 1.342 7.186 1.00 10.00 C ATOM 424 O GLY A 27 5.655 0.509 6.324 1.00 10.00 O ATOM 0 H GLY A 27 2.881 0.418 6.577 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.104 1.975 8.791 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.245 0.235 8.632 1.00 10.00 H new ATOM 428 N ARG A 28 6.089 2.429 7.405 1.00 10.00 N ATOM 429 CA ARG A 28 7.283 2.725 6.630 1.00 10.00 C ATOM 430 C ARG A 28 8.506 2.069 7.267 1.00 10.00 C ATOM 431 O ARG A 28 8.782 2.271 8.450 1.00 10.00 O ATOM 432 CB ARG A 28 7.486 4.241 6.539 1.00 10.00 C ATOM 433 CG ARG A 28 8.697 4.651 5.716 1.00 10.00 C ATOM 434 CD ARG A 28 8.857 6.161 5.668 1.00 10.00 C ATOM 435 NE ARG A 28 10.010 6.559 4.868 1.00 10.00 N ATOM 436 CZ ARG A 28 11.177 6.944 5.377 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.354 6.999 6.693 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.173 7.255 4.562 1.00 10.00 N ATOM 0 H ARG A 28 5.867 3.125 8.117 1.00 10.00 H new ATOM 0 HA ARG A 28 7.156 2.323 5.625 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.594 4.692 6.104 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.589 4.645 7.546 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.595 4.203 6.141 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.597 4.263 4.702 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.954 6.609 5.252 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.967 6.547 6.681 1.00 10.00 H new ATOM 0 HE ARG A 28 9.915 6.541 3.853 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.592 6.745 7.321 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.252 7.295 7.075 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.042 7.198 3.552 1.00 10.00 H new ATOM 0 HH22 ARG A 28 13.071 7.551 4.944 1.00 10.00 H new ATOM 452 N TYR A 29 9.213 1.259 6.486 1.00 10.00 N ATOM 453 CA TYR A 29 10.418 0.582 6.960 1.00 10.00 C ATOM 454 C TYR A 29 11.652 1.297 6.428 1.00 10.00 C ATOM 455 O TYR A 29 12.788 0.868 6.640 1.00 10.00 O ATOM 456 CB TYR A 29 10.429 -0.879 6.500 1.00 10.00 C ATOM 457 CG TYR A 29 9.614 -1.810 7.370 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.235 -1.676 7.469 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.228 -2.829 8.089 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.491 -2.532 8.260 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.491 -3.687 8.881 1.00 10.00 C ATOM 462 CZ TYR A 29 8.122 -3.534 8.964 1.00 10.00 C ATOM 463 OH TYR A 29 7.383 -4.390 9.752 1.00 10.00 O ATOM 0 H TYR A 29 8.972 1.054 5.516 1.00 10.00 H new ATOM 0 HA TYR A 29 10.426 0.605 8.050 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.050 -0.929 5.479 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.460 -1.233 6.475 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.736 -0.891 6.920 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.299 -2.952 8.027 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.419 -2.415 8.326 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.984 -4.474 9.433 1.00 10.00 H new ATOM 0 HH TYR A 29 7.980 -5.039 10.179 1.00 10.00 H new ATOM 473 N GLY A 30 11.413 2.398 5.738 1.00 10.00 N ATOM 474 CA GLY A 30 12.485 3.173 5.158 1.00 10.00 C ATOM 475 C GLY A 30 12.286 3.344 3.670 1.00 10.00 C ATOM 476 O GLY A 30 11.507 4.189 3.238 1.00 10.00 O ATOM 0 H GLY A 30 10.480 2.773 5.568 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.532 4.151 5.637 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.438 2.680 5.347 1.00 10.00 H new ATOM 480 N LYS A 31 12.977 2.531 2.888 1.00 10.00 N ATOM 481 CA LYS A 31 12.862 2.581 1.436 1.00 10.00 C ATOM 482 C LYS A 31 11.696 1.720 0.978 1.00 10.00 C ATOM 483 O LYS A 31 11.112 1.950 -0.081 1.00 10.00 O ATOM 484 CB LYS A 31 14.158 2.102 0.780 1.00 10.00 C ATOM 485 CG LYS A 31 15.336 3.040 0.992 1.00 10.00 C ATOM 486 CD LYS A 31 15.064 4.421 0.416 1.00 10.00 C ATOM 487 CE LYS A 31 15.023 5.480 1.502 1.00 10.00 C ATOM 488 NZ LYS A 31 14.425 6.750 1.013 1.00 10.00 N ATOM 0 H LYS A 31 13.627 1.825 3.234 1.00 10.00 H new ATOM 0 HA LYS A 31 12.682 3.613 1.135 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.413 1.119 1.176 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.990 1.981 -0.290 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.547 3.125 2.058 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.226 2.619 0.524 1.00 10.00 H new ATOM 0 HD2 LYS A 31 15.838 4.672 -0.309 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.115 4.412 -0.120 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.446 5.109 2.349 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.034 5.670 1.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 15.107 7.525 1.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.187 6.656 0.005 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.562 6.958 1.555 1.00 10.00 H new ATOM 502 N LEU A 32 11.375 0.723 1.787 1.00 10.00 N ATOM 503 CA LEU A 32 10.276 -0.182 1.502 1.00 10.00 C ATOM 504 C LEU A 32 9.126 0.094 2.460 1.00 10.00 C ATOM 505 O LEU A 32 9.287 0.011 3.678 1.00 10.00 O ATOM 506 CB LEU A 32 10.731 -1.639 1.643 1.00 10.00 C ATOM 507 CG LEU A 32 11.244 -2.313 0.365 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.838 -3.675 0.688 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.125 -2.455 -0.654 1.00 10.00 C ATOM 0 H LEU A 32 11.868 0.520 2.657 1.00 10.00 H new ATOM 0 HA LEU A 32 9.943 -0.019 0.477 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.521 -1.681 2.393 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.895 -2.224 2.027 1.00 10.00 H new ATOM 0 HG LEU A 32 12.023 -1.684 -0.065 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.198 -4.142 -0.229 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.668 -3.554 1.384 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.074 -4.307 1.141 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.511 -2.936 -1.553 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.324 -3.063 -0.233 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.737 -1.469 -0.908 1.00 10.00 H new ATOM 521 N ILE A 33 7.979 0.445 1.913 1.00 10.00 N ATOM 522 CA ILE A 33 6.809 0.728 2.725 1.00 10.00 C ATOM 523 C ILE A 33 5.814 -0.421 2.633 1.00 10.00 C ATOM 524 O ILE A 33 5.346 -0.767 1.548 1.00 10.00 O ATOM 525 CB ILE A 33 6.141 2.059 2.306 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.077 3.229 2.630 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.798 2.236 3.006 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.504 4.594 2.307 1.00 10.00 C ATOM 0 H ILE A 33 7.831 0.542 0.908 1.00 10.00 H new ATOM 0 HA ILE A 33 7.134 0.832 3.760 1.00 10.00 H new ATOM 0 HB ILE A 33 5.957 2.037 1.232 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.328 3.195 3.690 1.00 10.00 H new ATOM 0 HG13 ILE A 33 8.007 3.098 2.077 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.347 3.179 2.696 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.137 1.412 2.738 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.949 2.244 4.086 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.230 5.364 2.567 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.279 4.651 1.242 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.590 4.750 2.880 1.00 10.00 H new ATOM 540 N HIS A 34 5.516 -1.014 3.779 1.00 10.00 N ATOM 541 CA HIS A 34 4.591 -2.137 3.858 1.00 10.00 C ATOM 542 C HIS A 34 3.267 -1.679 4.467 1.00 10.00 C ATOM 543 O HIS A 34 3.244 -1.018 5.507 1.00 10.00 O ATOM 544 CB HIS A 34 5.222 -3.262 4.693 1.00 10.00 C ATOM 545 CG HIS A 34 4.283 -4.361 5.097 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.970 -5.449 4.309 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.599 -4.533 6.255 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.133 -6.228 5.002 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.875 -5.718 6.189 1.00 10.00 N ATOM 0 H HIS A 34 5.906 -0.732 4.678 1.00 10.00 H new ATOM 0 HA HIS A 34 4.389 -2.518 2.857 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.043 -3.698 4.124 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.654 -2.826 5.594 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.315 -5.627 3.366 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.614 -3.856 7.096 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.721 -7.157 4.636 1.00 10.00 H new ATOM 557 N PHE A 35 2.170 -2.028 3.821 1.00 10.00 N ATOM 558 CA PHE A 35 0.855 -1.638 4.304 1.00 10.00 C ATOM 559 C PHE A 35 -0.106 -2.820 4.297 1.00 10.00 C ATOM 560 O PHE A 35 0.065 -3.773 3.529 1.00 10.00 O ATOM 561 CB PHE A 35 0.291 -0.495 3.448 1.00 10.00 C ATOM 562 CG PHE A 35 -0.150 -0.928 2.077 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.497 -1.081 1.788 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.780 -1.181 1.078 1.00 10.00 C ATOM 565 CE1 PHE A 35 -1.908 -1.488 0.537 1.00 10.00 C ATOM 566 CE2 PHE A 35 0.372 -1.590 -0.177 1.00 10.00 C ATOM 567 CZ PHE A 35 -0.974 -1.739 -0.449 1.00 10.00 C ATOM 0 H PHE A 35 2.161 -2.579 2.963 1.00 10.00 H new ATOM 0 HA PHE A 35 0.963 -1.293 5.332 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.556 -0.047 3.968 1.00 10.00 H new ATOM 0 HB3 PHE A 35 1.050 0.281 3.348 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.233 -0.879 2.552 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.833 -1.057 1.284 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -2.960 -1.611 0.328 1.00 10.00 H new ATOM 0 HE2 PHE A 35 1.104 -1.793 -0.944 1.00 10.00 H new ATOM 0 HZ PHE A 35 -1.296 -2.051 -1.432 1.00 10.00 H new ATOM 577 N LEU A 36 -1.109 -2.748 5.158 1.00 10.00 N ATOM 578 CA LEU A 36 -2.121 -3.788 5.261 1.00 10.00 C ATOM 579 C LEU A 36 -3.456 -3.236 4.791 1.00 10.00 C ATOM 580 O LEU A 36 -3.856 -2.139 5.197 1.00 10.00 O ATOM 581 CB LEU A 36 -2.246 -4.283 6.705 1.00 10.00 C ATOM 582 CG LEU A 36 -1.027 -5.027 7.254 1.00 10.00 C ATOM 583 CD1 LEU A 36 -1.210 -5.314 8.735 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.794 -6.320 6.488 1.00 10.00 C ATOM 0 H LEU A 36 -1.244 -1.970 5.803 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.826 -4.629 4.634 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.447 -3.426 7.348 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.112 -4.942 6.771 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.150 -4.392 7.125 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.336 -5.844 9.114 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.328 -4.375 9.276 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -2.098 -5.930 8.879 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.078 -6.832 6.895 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.670 -6.962 6.583 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.623 -6.094 5.436 1.00 10.00 H new ATOM 596 N TYR A 37 -4.143 -3.976 3.933 1.00 10.00 N ATOM 597 CA TYR A 37 -5.433 -3.534 3.424 1.00 10.00 C ATOM 598 C TYR A 37 -6.436 -4.677 3.443 1.00 10.00 C ATOM 599 O TYR A 37 -6.083 -5.823 3.175 1.00 10.00 O ATOM 600 CB TYR A 37 -5.295 -2.956 2.002 1.00 10.00 C ATOM 601 CG TYR A 37 -5.099 -3.985 0.899 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.186 -4.498 0.199 1.00 10.00 C ATOM 603 CD2 TYR A 37 -3.829 -4.423 0.542 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.017 -5.422 -0.816 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.651 -5.349 -0.471 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.747 -5.843 -1.149 1.00 10.00 C ATOM 607 OH TYR A 37 -4.573 -6.759 -2.167 1.00 10.00 O ATOM 0 H TYR A 37 -3.831 -4.879 3.577 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.801 -2.742 4.076 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.187 -2.372 1.777 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.451 -2.267 1.988 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.182 -4.168 0.453 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -2.967 -4.034 1.064 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.875 -5.811 -1.345 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.658 -5.684 -0.730 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.757 -7.277 -2.005 1.00 10.00 H new ATOM 617 N ASP A 38 -7.681 -4.372 3.770 1.00 10.00 N ATOM 618 CA ASP A 38 -8.722 -5.388 3.811 1.00 10.00 C ATOM 619 C ASP A 38 -9.113 -5.802 2.400 1.00 10.00 C ATOM 620 O ASP A 38 -9.439 -4.959 1.562 1.00 10.00 O ATOM 621 CB ASP A 38 -9.947 -4.879 4.569 1.00 10.00 C ATOM 622 CG ASP A 38 -11.123 -5.827 4.457 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.935 -7.046 4.668 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.241 -5.354 4.162 1.00 10.00 O ATOM 0 H ASP A 38 -7.996 -3.432 4.010 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.329 -6.258 4.337 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.691 -4.742 5.620 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.232 -3.901 4.181 1.00 10.00 H new ATOM 629 N LEU A 39 -9.063 -7.097 2.133 1.00 10.00 N ATOM 630 CA LEU A 39 -9.408 -7.613 0.821 1.00 10.00 C ATOM 631 C LEU A 39 -10.866 -8.052 0.795 1.00 10.00 C ATOM 632 O LEU A 39 -11.522 -7.997 -0.249 1.00 10.00 O ATOM 633 CB LEU A 39 -8.487 -8.780 0.447 1.00 10.00 C ATOM 634 CG LEU A 39 -8.501 -9.173 -1.034 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.106 -9.553 -1.503 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.465 -10.324 -1.271 1.00 10.00 C ATOM 0 H LEU A 39 -8.787 -7.809 2.809 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.272 -6.820 0.086 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.466 -8.521 0.728 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -8.770 -9.650 1.040 1.00 10.00 H new ATOM 0 HG LEU A 39 -8.837 -8.311 -1.610 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -7.139 -9.829 -2.557 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.434 -8.705 -1.370 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -6.743 -10.398 -0.918 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.462 -10.590 -2.328 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.155 -11.186 -0.680 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.470 -10.023 -0.976 1.00 10.00 H new ATOM 648 N GLY A 40 -11.370 -8.462 1.946 1.00 10.00 N ATOM 649 CA GLY A 40 -12.740 -8.909 2.035 1.00 10.00 C ATOM 650 C GLY A 40 -12.832 -10.405 2.232 1.00 10.00 C ATOM 651 O GLY A 40 -11.923 -11.145 1.853 1.00 10.00 O ATOM 0 H GLY A 40 -10.851 -8.493 2.824 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.234 -8.402 2.864 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.273 -8.629 1.127 1.00 10.00 H new ATOM 655 N GLY A 41 -13.916 -10.849 2.845 1.00 10.00 N ATOM 656 CA GLY A 41 -14.107 -12.263 3.083 1.00 10.00 C ATOM 657 C GLY A 41 -13.456 -12.716 4.372 1.00 10.00 C ATOM 658 O GLY A 41 -13.377 -13.913 4.654 1.00 10.00 O ATOM 0 H GLY A 41 -14.671 -10.253 3.184 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.174 -12.483 3.119 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.693 -12.830 2.249 1.00 10.00 H new ATOM 662 N GLY A 42 -12.977 -11.758 5.154 1.00 10.00 N ATOM 663 CA GLY A 42 -12.340 -12.076 6.414 1.00 10.00 C ATOM 664 C GLY A 42 -10.828 -12.033 6.331 1.00 10.00 C ATOM 665 O GLY A 42 -10.144 -12.052 7.354 1.00 10.00 O ATOM 0 H GLY A 42 -13.019 -10.762 4.936 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.678 -11.373 7.175 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.654 -13.069 6.735 1.00 10.00 H new ATOM 669 N LYS A 43 -10.299 -11.978 5.118 1.00 10.00 N ATOM 670 CA LYS A 43 -8.856 -11.933 4.935 1.00 10.00 C ATOM 671 C LYS A 43 -8.413 -10.581 4.399 1.00 10.00 C ATOM 672 O LYS A 43 -9.139 -9.917 3.651 1.00 10.00 O ATOM 673 CB LYS A 43 -8.373 -13.060 4.011 1.00 10.00 C ATOM 674 CG LYS A 43 -8.999 -13.066 2.621 1.00 10.00 C ATOM 675 CD LYS A 43 -9.880 -14.288 2.413 1.00 10.00 C ATOM 676 CE LYS A 43 -9.059 -15.567 2.389 1.00 10.00 C ATOM 677 NZ LYS A 43 -9.158 -16.327 3.661 1.00 10.00 N ATOM 0 H LYS A 43 -10.841 -11.964 4.254 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.400 -12.080 5.914 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.291 -12.984 3.905 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.580 -14.017 4.491 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.591 -12.161 2.483 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.213 -13.050 1.866 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.621 -14.344 3.211 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.428 -14.188 1.476 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.396 -16.197 1.566 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.015 -15.322 2.196 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -8.208 -16.453 4.065 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -9.754 -15.803 4.333 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -9.582 -17.259 3.477 1.00 10.00 H new ATOM 691 N ALA A 44 -7.221 -10.175 4.802 1.00 10.00 N ATOM 692 CA ALA A 44 -6.654 -8.913 4.379 1.00 10.00 C ATOM 693 C ALA A 44 -5.368 -9.148 3.599 1.00 10.00 C ATOM 694 O ALA A 44 -4.661 -10.133 3.826 1.00 10.00 O ATOM 695 CB ALA A 44 -6.391 -8.023 5.585 1.00 10.00 C ATOM 0 H ALA A 44 -6.623 -10.712 5.430 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.367 -8.409 3.726 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.964 -7.077 5.253 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.328 -7.835 6.109 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.692 -8.520 6.258 1.00 10.00 H new ATOM 701 N GLY A 45 -5.068 -8.246 2.687 1.00 10.00 N ATOM 702 CA GLY A 45 -3.874 -8.371 1.884 1.00 10.00 C ATOM 703 C GLY A 45 -2.788 -7.424 2.335 1.00 10.00 C ATOM 704 O GLY A 45 -3.022 -6.552 3.174 1.00 10.00 O ATOM 0 H GLY A 45 -5.634 -7.422 2.485 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.507 -9.396 1.937 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.117 -8.173 0.840 1.00 10.00 H new ATOM 708 N MET A 46 -1.601 -7.585 1.781 1.00 10.00 N ATOM 709 CA MET A 46 -0.478 -6.739 2.134 1.00 10.00 C ATOM 710 C MET A 46 0.375 -6.471 0.909 1.00 10.00 C ATOM 711 O MET A 46 0.331 -7.224 -0.062 1.00 10.00 O ATOM 712 CB MET A 46 0.360 -7.396 3.234 1.00 10.00 C ATOM 713 CG MET A 46 1.067 -8.673 2.799 1.00 10.00 C ATOM 714 SD MET A 46 1.889 -9.514 4.169 1.00 10.00 S ATOM 715 CE MET A 46 2.683 -10.865 3.306 1.00 10.00 C ATOM 0 H MET A 46 -1.390 -8.297 1.082 1.00 10.00 H new ATOM 0 HA MET A 46 -0.858 -5.790 2.512 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.106 -6.682 3.583 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.286 -7.622 4.082 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.342 -9.349 2.346 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.803 -8.433 2.031 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.704 -10.979 3.670 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.129 -11.786 3.485 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.701 -10.654 2.237 1.00 10.00 H new ATOM 725 N GLY A 47 1.139 -5.397 0.944 1.00 10.00 N ATOM 726 CA GLY A 47 1.986 -5.069 -0.177 1.00 10.00 C ATOM 727 C GLY A 47 3.108 -4.135 0.214 1.00 10.00 C ATOM 728 O GLY A 47 2.987 -3.385 1.185 1.00 10.00 O ATOM 0 H GLY A 47 1.189 -4.746 1.728 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.405 -5.984 -0.594 1.00 10.00 H new ATOM 0 HA3 GLY A 47 1.386 -4.607 -0.961 1.00 10.00 H new ATOM 732 N MET A 48 4.200 -4.185 -0.535 1.00 10.00 N ATOM 733 CA MET A 48 5.345 -3.333 -0.274 1.00 10.00 C ATOM 734 C MET A 48 5.667 -2.492 -1.497 1.00 10.00 C ATOM 735 O MET A 48 5.774 -3.012 -2.611 1.00 10.00 O ATOM 736 CB MET A 48 6.564 -4.164 0.121 1.00 10.00 C ATOM 737 CG MET A 48 6.857 -4.139 1.614 1.00 10.00 C ATOM 738 SD MET A 48 8.510 -4.745 2.008 1.00 10.00 S ATOM 739 CE MET A 48 8.396 -6.435 1.423 1.00 10.00 C ATOM 0 H MET A 48 4.315 -4.811 -1.332 1.00 10.00 H new ATOM 0 HA MET A 48 5.093 -2.673 0.556 1.00 10.00 H new ATOM 0 HB2 MET A 48 6.408 -5.196 -0.193 1.00 10.00 H new ATOM 0 HB3 MET A 48 7.436 -3.795 -0.419 1.00 10.00 H new ATOM 0 HG2 MET A 48 6.750 -3.119 1.984 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.118 -4.747 2.136 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.364 -6.924 1.531 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.651 -6.973 2.008 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.104 -6.438 0.373 1.00 10.00 H new ATOM 749 N VAL A 49 5.804 -1.195 -1.281 1.00 10.00 N ATOM 750 CA VAL A 49 6.115 -0.263 -2.349 1.00 10.00 C ATOM 751 C VAL A 49 7.315 0.596 -1.942 1.00 10.00 C ATOM 752 O VAL A 49 7.650 0.673 -0.760 1.00 10.00 O ATOM 753 CB VAL A 49 4.887 0.623 -2.677 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.558 1.555 -1.520 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.098 1.406 -3.965 1.00 10.00 C ATOM 0 H VAL A 49 5.703 -0.760 -0.364 1.00 10.00 H new ATOM 0 HA VAL A 49 6.369 -0.822 -3.249 1.00 10.00 H new ATOM 0 HB VAL A 49 4.034 -0.039 -2.827 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.692 2.164 -1.779 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.334 0.966 -0.631 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.411 2.203 -1.321 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.219 2.018 -4.167 1.00 10.00 H new ATOM 0 HG22 VAL A 49 5.972 2.050 -3.861 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.255 0.712 -4.791 1.00 10.00 H new ATOM 765 N SER A 50 7.974 1.210 -2.912 1.00 10.00 N ATOM 766 CA SER A 50 9.128 2.047 -2.631 1.00 10.00 C ATOM 767 C SER A 50 8.709 3.510 -2.501 1.00 10.00 C ATOM 768 O SER A 50 7.546 3.858 -2.735 1.00 10.00 O ATOM 769 CB SER A 50 10.169 1.892 -3.747 1.00 10.00 C ATOM 770 OG SER A 50 9.840 2.693 -4.872 1.00 10.00 O ATOM 0 H SER A 50 7.729 1.144 -3.900 1.00 10.00 H new ATOM 0 HA SER A 50 9.569 1.730 -1.686 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.153 2.174 -3.372 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.230 0.846 -4.048 1.00 10.00 H new ATOM 0 HG SER A 50 9.942 2.164 -5.691 1.00 10.00 H new ATOM 776 N GLU A 51 9.653 4.363 -2.125 1.00 10.00 N ATOM 777 CA GLU A 51 9.386 5.788 -1.984 1.00 10.00 C ATOM 778 C GLU A 51 9.581 6.497 -3.320 1.00 10.00 C ATOM 779 O GLU A 51 9.306 7.690 -3.446 1.00 10.00 O ATOM 780 CB GLU A 51 10.313 6.409 -0.937 1.00 10.00 C ATOM 781 CG GLU A 51 10.165 5.804 0.450 1.00 10.00 C ATOM 782 CD GLU A 51 10.644 6.732 1.546 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.871 6.941 1.674 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.795 7.259 2.293 1.00 10.00 O ATOM 0 H GLU A 51 10.613 4.092 -1.912 1.00 10.00 H new ATOM 0 HA GLU A 51 8.353 5.909 -1.659 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.346 6.293 -1.265 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.115 7.479 -0.879 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.118 5.554 0.623 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.728 4.872 0.497 1.00 10.00 H new ATOM 791 N LYS A 52 10.063 5.757 -4.311 1.00 10.00 N ATOM 792 CA LYS A 52 10.304 6.314 -5.634 1.00 10.00 C ATOM 793 C LYS A 52 9.169 5.958 -6.585 1.00 10.00 C ATOM 794 O LYS A 52 8.740 6.785 -7.392 1.00 10.00 O ATOM 795 CB LYS A 52 11.633 5.800 -6.189 1.00 10.00 C ATOM 796 CG LYS A 52 12.843 6.564 -5.676 1.00 10.00 C ATOM 797 CD LYS A 52 14.127 6.066 -6.313 1.00 10.00 C ATOM 798 CE LYS A 52 15.303 6.967 -5.966 1.00 10.00 C ATOM 799 NZ LYS A 52 16.528 6.607 -6.726 1.00 10.00 N ATOM 0 H LYS A 52 10.295 4.768 -4.222 1.00 10.00 H new ATOM 0 HA LYS A 52 10.352 7.399 -5.545 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.742 4.747 -5.930 1.00 10.00 H new ATOM 0 HB3 LYS A 52 11.610 5.860 -7.277 1.00 10.00 H new ATOM 0 HG2 LYS A 52 12.720 7.626 -5.886 1.00 10.00 H new ATOM 0 HG3 LYS A 52 12.908 6.459 -4.593 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.333 5.050 -5.975 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.006 6.024 -7.395 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.039 8.004 -6.175 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.507 6.900 -4.897 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.303 7.246 -6.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.797 5.626 -6.507 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.343 6.696 -7.745 1.00 10.00 H new ATOM 813 N ASP A 53 8.679 4.729 -6.474 1.00 10.00 N ATOM 814 CA ASP A 53 7.597 4.256 -7.331 1.00 10.00 C ATOM 815 C ASP A 53 6.259 4.843 -6.896 1.00 10.00 C ATOM 816 O ASP A 53 5.283 4.817 -7.644 1.00 10.00 O ATOM 817 CB ASP A 53 7.520 2.725 -7.314 1.00 10.00 C ATOM 818 CG ASP A 53 8.725 2.066 -7.961 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.771 1.989 -9.206 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.627 1.610 -7.224 1.00 10.00 O ATOM 0 H ASP A 53 9.013 4.041 -5.799 1.00 10.00 H new ATOM 0 HA ASP A 53 7.811 4.589 -8.347 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.434 2.382 -6.283 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.616 2.406 -7.832 1.00 10.00 H new ATOM 825 N ALA A 54 6.218 5.364 -5.679 1.00 10.00 N ATOM 826 CA ALA A 54 5.004 5.956 -5.142 1.00 10.00 C ATOM 827 C ALA A 54 5.018 7.470 -5.314 1.00 10.00 C ATOM 828 O ALA A 54 5.956 8.138 -4.879 1.00 10.00 O ATOM 829 CB ALA A 54 4.845 5.597 -3.675 1.00 10.00 C ATOM 0 H ALA A 54 7.015 5.388 -5.043 1.00 10.00 H new ATOM 0 HA ALA A 54 4.156 5.555 -5.697 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.931 6.048 -3.287 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.788 4.514 -3.570 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.701 5.972 -3.114 1.00 10.00 H new ATOM 835 N PRO A 55 3.987 8.027 -5.973 1.00 10.00 N ATOM 836 CA PRO A 55 3.870 9.474 -6.193 1.00 10.00 C ATOM 837 C PRO A 55 3.785 10.249 -4.885 1.00 10.00 C ATOM 838 O PRO A 55 3.297 9.731 -3.881 1.00 10.00 O ATOM 839 CB PRO A 55 2.564 9.624 -6.977 1.00 10.00 C ATOM 840 CG PRO A 55 2.264 8.275 -7.527 1.00 10.00 C ATOM 841 CD PRO A 55 2.859 7.288 -6.564 1.00 10.00 C ATOM 0 HA PRO A 55 4.741 9.871 -6.714 1.00 10.00 H new ATOM 0 HB2 PRO A 55 1.758 9.971 -6.331 1.00 10.00 H new ATOM 0 HB3 PRO A 55 2.670 10.357 -7.776 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.189 8.124 -7.624 1.00 10.00 H new ATOM 0 HG3 PRO A 55 2.694 8.156 -8.522 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.138 6.981 -5.806 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.193 6.383 -7.071 1.00 10.00 H new ATOM 849 N LYS A 56 4.243 11.499 -4.912 1.00 10.00 N ATOM 850 CA LYS A 56 4.229 12.356 -3.730 1.00 10.00 C ATOM 851 C LYS A 56 2.817 12.511 -3.177 1.00 10.00 C ATOM 852 O LYS A 56 2.620 12.545 -1.965 1.00 10.00 O ATOM 853 CB LYS A 56 4.817 13.731 -4.053 1.00 10.00 C ATOM 854 CG LYS A 56 6.307 13.704 -4.352 1.00 10.00 C ATOM 855 CD LYS A 56 6.896 15.105 -4.364 1.00 10.00 C ATOM 856 CE LYS A 56 8.389 15.077 -4.639 1.00 10.00 C ATOM 857 NZ LYS A 56 9.022 16.400 -4.394 1.00 10.00 N ATOM 0 H LYS A 56 4.630 11.942 -5.745 1.00 10.00 H new ATOM 0 HA LYS A 56 4.845 11.878 -2.969 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.291 14.149 -4.911 1.00 10.00 H new ATOM 0 HB3 LYS A 56 4.636 14.400 -3.212 1.00 10.00 H new ATOM 0 HG2 LYS A 56 6.819 13.099 -3.604 1.00 10.00 H new ATOM 0 HG3 LYS A 56 6.477 13.228 -5.318 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.396 15.705 -5.124 1.00 10.00 H new ATOM 0 HD3 LYS A 56 6.710 15.587 -3.404 1.00 10.00 H new ATOM 0 HE2 LYS A 56 8.861 14.326 -4.006 1.00 10.00 H new ATOM 0 HE3 LYS A 56 8.562 14.777 -5.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.041 16.339 -4.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 8.589 17.112 -5.016 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 8.879 16.675 -3.401 1.00 10.00 H new ATOM 871 N GLU A 57 1.838 12.592 -4.072 1.00 10.00 N ATOM 872 CA GLU A 57 0.447 12.731 -3.667 1.00 10.00 C ATOM 873 C GLU A 57 0.011 11.520 -2.853 1.00 10.00 C ATOM 874 O GLU A 57 -0.491 11.655 -1.738 1.00 10.00 O ATOM 875 CB GLU A 57 -0.449 12.877 -4.896 1.00 10.00 C ATOM 876 CG GLU A 57 -1.923 13.026 -4.559 1.00 10.00 C ATOM 877 CD GLU A 57 -2.788 13.180 -5.787 1.00 10.00 C ATOM 878 OE1 GLU A 57 -3.082 12.164 -6.447 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.178 14.324 -6.100 1.00 10.00 O ATOM 0 H GLU A 57 1.984 12.564 -5.081 1.00 10.00 H new ATOM 0 HA GLU A 57 0.354 13.625 -3.051 1.00 10.00 H new ATOM 0 HB2 GLU A 57 -0.126 13.746 -5.470 1.00 10.00 H new ATOM 0 HB3 GLU A 57 -0.318 12.005 -5.537 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -2.253 12.154 -3.994 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -2.058 13.894 -3.913 1.00 10.00 H new ATOM 886 N LEU A 58 0.227 10.334 -3.410 1.00 10.00 N ATOM 887 CA LEU A 58 -0.144 9.097 -2.740 1.00 10.00 C ATOM 888 C LEU A 58 0.679 8.909 -1.475 1.00 10.00 C ATOM 889 O LEU A 58 0.187 8.393 -0.477 1.00 10.00 O ATOM 890 CB LEU A 58 0.037 7.900 -3.674 1.00 10.00 C ATOM 891 CG LEU A 58 -0.760 7.963 -4.982 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.715 6.626 -5.698 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.201 8.371 -4.719 1.00 10.00 C ATOM 0 H LEU A 58 0.658 10.205 -4.325 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.197 9.162 -2.464 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.095 7.807 -3.917 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.248 6.995 -3.137 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.301 8.717 -5.621 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.286 6.690 -6.624 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.320 6.370 -5.927 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.146 5.856 -5.058 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.746 8.409 -5.662 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.670 7.643 -4.057 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.221 9.354 -4.249 1.00 10.00 H new ATOM 905 N LEU A 59 1.934 9.345 -1.523 1.00 10.00 N ATOM 906 CA LEU A 59 2.830 9.249 -0.379 1.00 10.00 C ATOM 907 C LEU A 59 2.262 10.044 0.789 1.00 10.00 C ATOM 908 O LEU A 59 2.311 9.604 1.940 1.00 10.00 O ATOM 909 CB LEU A 59 4.224 9.768 -0.750 1.00 10.00 C ATOM 910 CG LEU A 59 5.330 9.447 0.253 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.658 7.961 0.228 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.568 10.279 -0.037 1.00 10.00 C ATOM 0 H LEU A 59 2.354 9.771 -2.349 1.00 10.00 H new ATOM 0 HA LEU A 59 2.919 8.203 -0.085 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.503 9.352 -1.718 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.170 10.850 -0.872 1.00 10.00 H new ATOM 0 HG LEU A 59 4.976 9.700 1.252 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.448 7.751 0.949 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.768 7.388 0.487 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.993 7.679 -0.770 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.346 10.038 0.687 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.927 10.059 -1.042 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.320 11.338 0.036 1.00 10.00 H new ATOM 924 N GLN A 60 1.706 11.214 0.482 1.00 10.00 N ATOM 925 CA GLN A 60 1.106 12.065 1.501 1.00 10.00 C ATOM 926 C GLN A 60 -0.148 11.399 2.053 1.00 10.00 C ATOM 927 O GLN A 60 -0.446 11.497 3.242 1.00 10.00 O ATOM 928 CB GLN A 60 0.765 13.447 0.928 1.00 10.00 C ATOM 929 CG GLN A 60 0.299 14.443 1.984 1.00 10.00 C ATOM 930 CD GLN A 60 1.331 14.673 3.076 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.598 14.707 2.695 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 0.989 14.838 4.249 1.00 10.00 N flip ATOM 0 H GLN A 60 1.660 11.592 -0.464 1.00 10.00 H new ATOM 0 HA GLN A 60 1.826 12.202 2.308 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.643 13.849 0.423 1.00 10.00 H new ATOM 0 HB3 GLN A 60 -0.014 13.337 0.174 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.068 15.394 1.503 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.625 14.081 2.435 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.001 14.804 4.502 1.00 10.00 H new ATOM 0 HE22 GLN A 60 1.694 15.008 4.967 1.00 10.00 H new ATOM 941 N MET A 61 -0.874 10.709 1.181 1.00 10.00 N ATOM 942 CA MET A 61 -2.087 10.003 1.582 1.00 10.00 C ATOM 943 C MET A 61 -1.732 8.871 2.540 1.00 10.00 C ATOM 944 O MET A 61 -2.435 8.624 3.520 1.00 10.00 O ATOM 945 CB MET A 61 -2.819 9.451 0.356 1.00 10.00 C ATOM 946 CG MET A 61 -3.234 10.526 -0.634 1.00 10.00 C ATOM 947 SD MET A 61 -4.071 9.863 -2.087 1.00 10.00 S ATOM 948 CE MET A 61 -5.622 9.330 -1.369 1.00 10.00 C ATOM 0 H MET A 61 -0.644 10.623 0.191 1.00 10.00 H new ATOM 0 HA MET A 61 -2.750 10.704 2.089 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.175 8.732 -0.149 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.705 8.909 0.685 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.893 11.236 -0.135 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.351 11.080 -0.952 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.293 8.994 -2.160 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.439 8.509 -0.676 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.080 10.162 -0.834 1.00 10.00 H new ATOM 958 N LEU A 62 -0.617 8.204 2.255 1.00 10.00 N ATOM 959 CA LEU A 62 -0.138 7.110 3.090 1.00 10.00 C ATOM 960 C LEU A 62 0.279 7.644 4.453 1.00 10.00 C ATOM 961 O LEU A 62 0.104 6.982 5.474 1.00 10.00 O ATOM 962 CB LEU A 62 1.036 6.398 2.415 1.00 10.00 C ATOM 963 CG LEU A 62 0.736 5.815 1.034 1.00 10.00 C ATOM 964 CD1 LEU A 62 1.938 5.042 0.515 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.499 4.928 1.089 1.00 10.00 C ATOM 0 H LEU A 62 -0.027 8.405 1.448 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.945 6.390 3.224 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.863 7.102 2.323 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.375 5.592 3.066 1.00 10.00 H new ATOM 0 HG LEU A 62 0.534 6.634 0.344 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.710 4.633 -0.469 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.796 5.710 0.440 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.171 4.228 1.201 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.699 4.521 0.098 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.329 4.110 1.790 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.355 5.516 1.419 1.00 10.00 H new ATOM 977 N GLU A 63 0.816 8.858 4.457 1.00 10.00 N ATOM 978 CA GLU A 63 1.241 9.509 5.689 1.00 10.00 C ATOM 979 C GLU A 63 0.034 9.815 6.574 1.00 10.00 C ATOM 980 O GLU A 63 0.144 9.868 7.796 1.00 10.00 O ATOM 981 CB GLU A 63 2.003 10.795 5.371 1.00 10.00 C ATOM 982 CG GLU A 63 3.510 10.607 5.293 1.00 10.00 C ATOM 983 CD GLU A 63 4.115 10.246 6.637 1.00 10.00 C ATOM 984 OE1 GLU A 63 3.691 10.827 7.656 1.00 10.00 O ATOM 985 OE2 GLU A 63 5.010 9.375 6.680 1.00 10.00 O ATOM 0 H GLU A 63 0.968 9.414 3.615 1.00 10.00 H new ATOM 0 HA GLU A 63 1.904 8.833 6.228 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.646 11.194 4.422 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.777 11.539 6.135 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.739 9.823 4.571 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.970 11.524 4.924 1.00 10.00 H new ATOM 992 N LYS A 64 -1.120 10.012 5.944 1.00 10.00 N ATOM 993 CA LYS A 64 -2.353 10.293 6.671 1.00 10.00 C ATOM 994 C LYS A 64 -2.908 9.006 7.279 1.00 10.00 C ATOM 995 O LYS A 64 -3.591 9.032 8.303 1.00 10.00 O ATOM 996 CB LYS A 64 -3.406 10.919 5.748 1.00 10.00 C ATOM 997 CG LYS A 64 -2.958 12.211 5.080 1.00 10.00 C ATOM 998 CD LYS A 64 -4.075 12.821 4.244 1.00 10.00 C ATOM 999 CE LYS A 64 -3.550 13.890 3.295 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.651 14.595 2.588 1.00 10.00 N ATOM 0 H LYS A 64 -1.227 9.982 4.930 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.122 11.002 7.466 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.672 10.197 4.976 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.309 11.116 6.326 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.640 12.924 5.840 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.093 12.014 4.446 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.570 12.037 3.671 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.826 13.257 4.903 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.957 14.613 3.855 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.885 13.431 2.564 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.251 15.314 1.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.202 13.910 2.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.272 15.055 3.284 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.601 7.882 6.643 1.00 10.00 N ATOM 1015 CA GLN A 65 -3.066 6.581 7.110 1.00 10.00 C ATOM 1016 C GLN A 65 -1.968 5.864 7.894 1.00 10.00 C ATOM 1017 O GLN A 65 -2.032 4.649 8.116 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.504 5.714 5.924 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.622 6.324 5.087 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.892 6.600 5.877 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.642 7.521 5.555 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.148 5.808 6.907 1.00 10.00 N ATOM 0 H GLN A 65 -2.030 7.845 5.799 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.919 6.743 7.769 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.642 5.533 5.282 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.832 4.744 6.298 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.268 7.256 4.647 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.856 5.651 4.262 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -5.503 5.055 7.144 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -6.991 5.951 7.464 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.965 6.624 8.308 1.00 10.00 N ATOM 1032 CA LYS A 66 0.156 6.082 9.065 1.00 10.00 C ATOM 1033 C LYS A 66 -0.309 5.600 10.438 1.00 10.00 C ATOM 1034 O LYS A 66 -0.974 6.337 11.169 1.00 10.00 O ATOM 1035 CB LYS A 66 1.242 7.150 9.210 1.00 10.00 C ATOM 1036 CG LYS A 66 2.491 6.675 9.939 1.00 10.00 C ATOM 1037 CD LYS A 66 3.637 7.664 9.780 1.00 10.00 C ATOM 1038 CE LYS A 66 3.314 9.007 10.414 1.00 10.00 C ATOM 1039 NZ LYS A 66 4.330 10.042 10.079 1.00 10.00 N ATOM 0 H LYS A 66 -0.904 7.627 8.131 1.00 10.00 H new ATOM 0 HA LYS A 66 0.568 5.228 8.528 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.525 7.501 8.218 1.00 10.00 H new ATOM 0 HB3 LYS A 66 0.826 8.005 9.744 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.268 6.542 10.998 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.792 5.702 9.552 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.538 7.254 10.237 1.00 10.00 H new ATOM 0 HD3 LYS A 66 3.852 7.804 8.721 1.00 10.00 H new ATOM 0 HE2 LYS A 66 2.333 9.340 10.077 1.00 10.00 H new ATOM 0 HE3 LYS A 66 3.257 8.892 11.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.099 10.928 10.572 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.271 9.715 10.378 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.331 10.208 9.052 1.00 10.00 H new ATOM 1053 N LYS A 67 0.039 4.366 10.783 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.349 3.786 12.066 1.00 10.00 C ATOM 1055 C LYS A 67 0.803 2.983 12.657 1.00 10.00 C ATOM 1056 O LYS A 67 1.900 2.962 12.092 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.586 2.891 11.902 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.902 3.658 11.903 1.00 10.00 C ATOM 1059 CD LYS A 67 -4.104 2.724 11.868 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.409 3.495 11.968 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.589 2.594 11.993 1.00 10.00 N ATOM 0 H LYS A 67 0.591 3.745 10.191 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.596 4.600 12.748 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.500 2.336 10.968 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.602 2.158 12.708 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.956 4.285 12.793 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.935 4.324 11.041 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -4.091 2.146 10.944 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.037 2.011 12.690 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.401 4.106 12.871 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -5.492 4.177 11.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.458 3.162 12.062 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.613 2.029 11.120 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.524 1.960 12.815 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -7.985 -18.387 1.131 1.00 10.00 N ATOM 1077 CA GLY B 3 -7.946 -18.137 -0.294 1.00 10.00 C ATOM 1078 C GLY B 3 -6.956 -17.047 -0.662 1.00 10.00 C ATOM 1079 O GLY B 3 -5.818 -17.334 -1.033 1.00 10.00 O ATOM 0 HA2 GLY B 3 -7.680 -19.057 -0.815 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -8.940 -17.852 -0.638 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.385 -15.797 -0.550 1.00 10.00 N ATOM 1084 CA GLU B 4 -6.529 -14.666 -0.878 1.00 10.00 C ATOM 1085 C GLU B 4 -5.523 -14.381 0.230 1.00 10.00 C ATOM 1086 O GLU B 4 -5.845 -14.445 1.419 1.00 10.00 O ATOM 1087 CB GLU B 4 -7.362 -13.417 -1.164 1.00 10.00 C ATOM 1088 CG GLU B 4 -8.304 -13.569 -2.349 1.00 10.00 C ATOM 1089 CD GLU B 4 -7.634 -14.194 -3.560 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -8.162 -15.196 -4.086 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -6.576 -13.690 -3.989 1.00 10.00 O ATOM 0 H GLU B 4 -8.321 -15.541 -0.235 1.00 10.00 H new ATOM 0 HA GLU B 4 -5.974 -14.933 -1.777 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -7.945 -13.169 -0.277 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -6.691 -12.578 -1.350 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -9.155 -14.183 -2.054 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -8.697 -12.590 -2.622 1.00 10.00 H new ATOM 1098 N GLY B 5 -4.305 -14.062 -0.181 1.00 10.00 N ATOM 1099 CA GLY B 5 -3.242 -13.767 0.754 1.00 10.00 C ATOM 1100 C GLY B 5 -1.896 -13.704 0.059 1.00 10.00 C ATOM 1101 O GLY B 5 -1.137 -14.673 0.078 1.00 10.00 O ATOM 0 H GLY B 5 -4.032 -14.002 -1.162 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -3.443 -12.816 1.248 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -3.217 -14.531 1.531 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.607 -12.573 -0.569 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.348 -12.390 -1.284 1.00 10.00 C ATOM 1107 C GLU B 6 0.833 -12.323 -0.313 1.00 10.00 C ATOM 1108 O GLU B 6 0.681 -11.923 0.842 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.401 -11.125 -2.146 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.717 -9.857 -1.371 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.172 -9.441 -1.489 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.462 -8.491 -2.255 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.023 -10.054 -0.815 1.00 10.00 O ATOM 0 H GLU B 6 -2.228 -11.765 -0.599 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.202 -13.252 -1.935 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.558 -11.001 -2.649 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.153 -11.260 -2.923 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -0.472 -10.009 -0.320 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.082 -9.048 -1.733 1.00 10.00 H new ATOM 1120 N GLU B 7 2.007 -12.718 -0.794 1.00 10.00 N ATOM 1121 CA GLU B 7 3.214 -12.719 0.027 1.00 10.00 C ATOM 1122 C GLU B 7 4.257 -11.749 -0.516 1.00 10.00 C ATOM 1123 O GLU B 7 4.161 -11.283 -1.653 1.00 10.00 O ATOM 1124 CB GLU B 7 3.818 -14.122 0.080 1.00 10.00 C ATOM 1125 CG GLU B 7 3.019 -15.116 0.901 1.00 10.00 C ATOM 1126 CD GLU B 7 3.778 -16.406 1.118 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.299 -16.618 2.232 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.879 -17.207 0.169 1.00 10.00 O ATOM 0 H GLU B 7 2.149 -13.042 -1.751 1.00 10.00 H new ATOM 0 HA GLU B 7 2.928 -12.400 1.029 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.913 -14.502 -0.937 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.825 -14.056 0.491 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.771 -14.674 1.866 1.00 10.00 H new ATOM 0 HG3 GLU B 7 2.077 -15.329 0.396 1.00 10.00 H new ATOM 1135 N GLU B 8 5.257 -11.462 0.306 1.00 10.00 N ATOM 1136 CA GLU B 8 6.343 -10.566 -0.065 1.00 10.00 C ATOM 1137 C GLU B 8 7.678 -11.271 0.149 1.00 10.00 C ATOM 1138 O GLU B 8 7.721 -12.364 0.717 1.00 10.00 O ATOM 1139 CB GLU B 8 6.309 -9.294 0.783 1.00 10.00 C ATOM 1140 CG GLU B 8 4.944 -8.633 0.869 1.00 10.00 C ATOM 1141 CD GLU B 8 4.859 -7.656 2.020 1.00 10.00 C ATOM 1142 OE1 GLU B 8 5.189 -8.050 3.158 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.466 -6.496 1.796 1.00 10.00 O ATOM 0 H GLU B 8 5.338 -11.844 1.248 1.00 10.00 H new ATOM 0 HA GLU B 8 6.224 -10.294 -1.114 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.647 -9.535 1.791 1.00 10.00 H new ATOM 0 HB3 GLU B 8 7.020 -8.578 0.371 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.734 -8.112 -0.065 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.177 -9.399 0.986 1.00 10.00 H new ATOM 1150 N GLY B 9 8.760 -10.655 -0.304 1.00 10.00 N ATOM 1151 CA GLY B 9 10.069 -11.248 -0.129 1.00 10.00 C ATOM 1152 C GLY B 9 11.169 -10.373 -0.683 1.00 10.00 C ATOM 1153 O GLY B 9 12.069 -10.856 -1.372 1.00 10.00 O ATOM 0 H GLY B 9 8.755 -9.757 -0.788 1.00 10.00 H new ATOM 0 HA2 GLY B 9 10.247 -11.425 0.932 1.00 10.00 H new ATOM 0 HA3 GLY B 9 10.095 -12.219 -0.623 1.00 10.00 H new ATOM 1157 N GLU B 10 11.102 -9.085 -0.379 1.00 10.00 N ATOM 1158 CA GLU B 10 12.099 -8.140 -0.864 1.00 10.00 C ATOM 1159 C GLU B 10 13.305 -8.129 0.062 1.00 10.00 C ATOM 1160 O GLU B 10 13.161 -8.078 1.284 1.00 10.00 O ATOM 1161 CB GLU B 10 11.511 -6.727 -0.975 1.00 10.00 C ATOM 1162 CG GLU B 10 10.299 -6.628 -1.892 1.00 10.00 C ATOM 1163 CD GLU B 10 10.421 -7.494 -3.132 1.00 10.00 C ATOM 1164 OE1 GLU B 10 11.116 -7.086 -4.083 1.00 10.00 O ATOM 1165 OE2 GLU B 10 9.825 -8.591 -3.153 1.00 10.00 O ATOM 0 H GLU B 10 10.371 -8.671 0.199 1.00 10.00 H new ATOM 0 HA GLU B 10 12.413 -8.459 -1.858 1.00 10.00 H new ATOM 0 HB2 GLU B 10 11.229 -6.383 0.020 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.285 -6.051 -1.339 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.407 -6.920 -1.338 1.00 10.00 H new ATOM 0 HG3 GLU B 10 10.162 -5.589 -2.193 1.00 10.00 H new ATOM 1172 N GLU B 11 14.492 -8.185 -0.523 1.00 10.00 N ATOM 1173 CA GLU B 11 15.726 -8.185 0.250 1.00 10.00 C ATOM 1174 C GLU B 11 16.140 -6.754 0.572 1.00 10.00 C ATOM 1175 O GLU B 11 16.599 -6.017 -0.302 1.00 10.00 O ATOM 1176 CB GLU B 11 16.833 -8.900 -0.527 1.00 10.00 C ATOM 1177 CG GLU B 11 18.093 -9.146 0.285 1.00 10.00 C ATOM 1178 CD GLU B 11 17.911 -10.229 1.325 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.720 -9.897 2.514 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.964 -11.418 0.960 1.00 10.00 O ATOM 0 H GLU B 11 14.627 -8.231 -1.533 1.00 10.00 H new ATOM 0 HA GLU B 11 15.559 -8.718 1.186 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.452 -9.856 -0.887 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.088 -8.307 -1.405 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.905 -9.425 -0.386 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.390 -8.220 0.778 1.00 10.00 H new ATOM 1187 N TYR B 12 15.965 -6.364 1.824 1.00 10.00 N ATOM 1188 CA TYR B 12 16.315 -5.021 2.264 1.00 10.00 C ATOM 1189 C TYR B 12 17.815 -4.917 2.514 1.00 10.00 C ATOM 1190 O TYR B 12 18.536 -5.915 2.422 1.00 10.00 O ATOM 1191 CB TYR B 12 15.539 -4.660 3.537 1.00 10.00 C ATOM 1192 CG TYR B 12 15.314 -3.171 3.711 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.388 -2.289 3.760 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.030 -2.645 3.821 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.193 -0.934 3.909 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.829 -1.286 3.973 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.916 -0.438 4.017 1.00 10.00 C ATOM 1198 OH TYR B 12 14.725 0.914 4.158 1.00 10.00 O ATOM 0 H TYR B 12 15.581 -6.960 2.557 1.00 10.00 H new ATOM 0 HA TYR B 12 16.044 -4.317 1.477 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.573 -5.165 3.519 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.081 -5.040 4.403 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.394 -2.674 3.680 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.178 -3.308 3.787 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.040 -0.264 3.941 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.827 -0.891 4.057 1.00 10.00 H new ATOM 0 HH TYR B 12 15.450 1.396 3.707 1.00 10.00 H new TER 1208 TYR B 12