USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 86 SER OG : rot 90:sc= 0.995 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -131:sc= 0.0257 (180deg=-0.482) USER MOD Set 2.1: A 61 SER OG : rot -160:sc=-0.00735 USER MOD Set 2.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 39 TYR OH : rot 168:sc= -0.872 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 13 TYR OH : rot 180:sc= 0.0646 USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -1.62 (180deg=-2.77!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl -173:sc= -4.57! (180deg=-5.02!) USER MOD Single : A 15 MET CE :methyl -149:sc= -0.0203 (180deg=-1.61) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.993 (180deg=-1.48) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= 1.8 (180deg=0.205) USER MOD Single : A 25 THR OG1 : rot 39:sc= 0.127 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00866) USER MOD Single : A 34 ASN : amide:sc= -0.528 K(o=-0.53,f=-4.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= -0.0774 (180deg=-1.1) USER MOD Single : A 56 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= -0.481 (180deg=-1.73!) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= 0.33 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 70 CYS SG : rot 160:sc= -0.524 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -160:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc=-0.00376 K(o=-0.0038,f=-1.8!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0019 X(o=-0.0019,f=0) USER MOD Single : A 100 SER OG : rot 87:sc= 0.919 USER MOD Single : A 101 THR OG1 : rot 88:sc= 1.29 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.62 F(o=-1.9!,f=-0.62) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.625 8.757 -1.832 1.00 0.00 N ATOM 67 CA VAL A 8 -10.301 8.641 -1.231 1.00 0.00 C ATOM 68 C VAL A 8 -10.332 9.029 0.244 1.00 0.00 C ATOM 69 O VAL A 8 -10.834 10.093 0.607 1.00 0.00 O ATOM 70 CB VAL A 8 -9.274 9.526 -1.961 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.822 10.932 -2.156 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.960 9.559 -1.196 1.00 0.00 C ATOM 0 HA VAL A 8 -10.001 7.597 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.085 9.096 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.082 11.542 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.735 10.888 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.042 11.375 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.246 10.189 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.130 9.964 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.561 8.548 -1.114 1.00 0.00 H new ATOM 82 N LEU A 9 -9.791 8.158 1.089 1.00 0.00 N ATOM 83 CA LEU A 9 -9.755 8.409 2.526 1.00 0.00 C ATOM 84 C LEU A 9 -8.548 9.263 2.900 1.00 0.00 C ATOM 85 O LEU A 9 -8.664 10.219 3.668 1.00 0.00 O ATOM 86 CB LEU A 9 -9.716 7.086 3.293 1.00 0.00 C ATOM 87 CG LEU A 9 -10.666 5.995 2.800 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.304 4.653 3.416 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.109 6.359 3.120 1.00 0.00 C ATOM 0 H LEU A 9 -9.372 7.273 0.805 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.659 8.953 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.698 6.697 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.941 7.290 4.340 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.564 5.914 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.991 3.889 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.285 4.387 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.376 4.720 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.771 5.571 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.226 6.469 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.365 7.298 2.630 1.00 0.00 H new ATOM 101 N LYS A 10 -7.390 8.914 2.350 1.00 0.00 N ATOM 102 CA LYS A 10 -6.161 9.650 2.622 1.00 0.00 C ATOM 103 C LYS A 10 -5.456 10.031 1.324 1.00 0.00 C ATOM 104 O LYS A 10 -5.640 9.381 0.295 1.00 0.00 O ATOM 105 CB LYS A 10 -5.225 8.814 3.497 1.00 0.00 C ATOM 106 CG LYS A 10 -4.348 9.646 4.418 1.00 0.00 C ATOM 107 CD LYS A 10 -3.359 8.779 5.178 1.00 0.00 C ATOM 108 CE LYS A 10 -2.368 9.624 5.965 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.048 10.483 6.973 1.00 0.00 N ATOM 0 H LYS A 10 -7.277 8.126 1.713 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.425 10.565 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.821 8.127 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.588 8.205 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.807 10.390 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.974 10.190 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.899 8.121 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.820 8.141 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.653 8.972 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.800 10.251 5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.363 10.776 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.438 11.326 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.819 9.948 7.421 1.00 0.00 H new ATOM 123 N GLN A 11 -4.649 11.085 1.381 1.00 0.00 N ATOM 124 CA GLN A 11 -3.916 11.550 0.209 1.00 0.00 C ATOM 125 C GLN A 11 -2.693 12.364 0.619 1.00 0.00 C ATOM 126 O GLN A 11 -2.784 13.257 1.461 1.00 0.00 O ATOM 127 CB GLN A 11 -4.827 12.391 -0.687 1.00 0.00 C ATOM 128 CG GLN A 11 -5.384 13.627 0.001 1.00 0.00 C ATOM 129 CD GLN A 11 -6.615 14.176 -0.694 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.670 14.335 -0.079 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.486 14.469 -1.982 1.00 0.00 N ATOM 0 H GLN A 11 -4.486 11.633 2.226 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.577 10.676 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.269 12.698 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.656 11.772 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.633 13.382 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.615 14.399 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.593 14.321 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.280 14.842 -2.502 1.00 0.00 H new ATOM 140 N GLY A 12 -1.550 12.049 0.019 1.00 0.00 N ATOM 141 CA GLY A 12 -0.325 12.760 0.336 1.00 0.00 C ATOM 142 C GLY A 12 0.832 12.346 -0.552 1.00 0.00 C ATOM 143 O GLY A 12 0.743 11.355 -1.277 1.00 0.00 O ATOM 0 H GLY A 12 -1.450 11.314 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.493 13.832 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.062 12.578 1.378 1.00 0.00 H new ATOM 147 N TYR A 13 1.920 13.106 -0.496 1.00 0.00 N ATOM 148 CA TYR A 13 3.098 12.815 -1.304 1.00 0.00 C ATOM 149 C TYR A 13 4.008 11.813 -0.599 1.00 0.00 C ATOM 150 O TYR A 13 4.638 12.133 0.408 1.00 0.00 O ATOM 151 CB TYR A 13 3.870 14.102 -1.600 1.00 0.00 C ATOM 152 CG TYR A 13 3.432 14.792 -2.872 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.382 14.103 -4.078 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.067 16.133 -2.868 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.983 14.730 -5.242 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.666 16.767 -4.028 1.00 0.00 C ATOM 157 CZ TYR A 13 2.626 16.062 -5.212 1.00 0.00 C ATOM 158 OH TYR A 13 2.227 16.689 -6.370 1.00 0.00 O ATOM 0 H TYR A 13 2.011 13.928 0.101 1.00 0.00 H new ATOM 0 HA TYR A 13 2.763 12.376 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.748 14.790 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.933 13.870 -1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.660 13.060 -4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.097 16.689 -1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.951 14.180 -6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.385 17.810 -4.007 1.00 0.00 H new ATOM 0 HH TYR A 13 2.009 17.625 -6.177 1.00 0.00 H new ATOM 168 N MET A 14 4.071 10.600 -1.139 1.00 0.00 N ATOM 169 CA MET A 14 4.905 9.551 -0.563 1.00 0.00 C ATOM 170 C MET A 14 5.925 9.049 -1.580 1.00 0.00 C ATOM 171 O MET A 14 5.738 9.200 -2.787 1.00 0.00 O ATOM 172 CB MET A 14 4.037 8.389 -0.078 1.00 0.00 C ATOM 173 CG MET A 14 3.033 8.786 0.992 1.00 0.00 C ATOM 174 SD MET A 14 2.362 7.366 1.877 1.00 0.00 S ATOM 175 CE MET A 14 1.359 6.613 0.599 1.00 0.00 C ATOM 0 H MET A 14 3.555 10.319 -1.973 1.00 0.00 H new ATOM 0 HA MET A 14 5.442 9.973 0.287 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.502 7.967 -0.928 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.682 7.603 0.315 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.513 9.459 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.216 9.340 0.530 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.781 5.794 1.026 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.681 7.358 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.004 6.229 -0.191 1.00 0.00 H new ATOM 185 N MET A 15 7.004 8.452 -1.084 1.00 0.00 N ATOM 186 CA MET A 15 8.053 7.927 -1.951 1.00 0.00 C ATOM 187 C MET A 15 7.982 6.406 -2.029 1.00 0.00 C ATOM 188 O MET A 15 8.247 5.710 -1.048 1.00 0.00 O ATOM 189 CB MET A 15 9.429 8.360 -1.441 1.00 0.00 C ATOM 190 CG MET A 15 9.627 9.867 -1.431 1.00 0.00 C ATOM 191 SD MET A 15 11.323 10.343 -1.048 1.00 0.00 S ATOM 192 CE MET A 15 11.995 10.557 -2.694 1.00 0.00 C ATOM 0 H MET A 15 7.175 8.320 -0.087 1.00 0.00 H new ATOM 0 HA MET A 15 7.900 8.332 -2.951 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.570 7.977 -0.430 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.198 7.905 -2.065 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.351 10.272 -2.405 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.954 10.313 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 15 13.056 10.308 -2.689 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.471 9.900 -3.389 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.867 11.593 -3.007 1.00 0.00 H new ATOM 202 N LYS A 16 7.624 5.894 -3.201 1.00 0.00 N ATOM 203 CA LYS A 16 7.519 4.454 -3.409 1.00 0.00 C ATOM 204 C LYS A 16 8.787 3.904 -4.053 1.00 0.00 C ATOM 205 O LYS A 16 9.255 4.420 -5.068 1.00 0.00 O ATOM 206 CB LYS A 16 6.307 4.131 -4.286 1.00 0.00 C ATOM 207 CG LYS A 16 6.069 2.643 -4.469 1.00 0.00 C ATOM 208 CD LYS A 16 5.066 2.371 -5.578 1.00 0.00 C ATOM 209 CE LYS A 16 5.757 2.187 -6.921 1.00 0.00 C ATOM 210 NZ LYS A 16 6.471 3.421 -7.351 1.00 0.00 N ATOM 0 H LYS A 16 7.401 6.455 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 16 7.392 3.980 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.418 4.581 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.444 4.592 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.012 2.149 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.706 2.214 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.490 1.477 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.359 3.198 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.466 1.362 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.019 1.913 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.694 3.358 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.866 4.249 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.353 3.519 -6.808 1.00 0.00 H new ATOM 224 N LYS A 17 9.339 2.852 -3.458 1.00 0.00 N ATOM 225 CA LYS A 17 10.552 2.229 -3.975 1.00 0.00 C ATOM 226 C LYS A 17 10.273 1.500 -5.285 1.00 0.00 C ATOM 227 O LYS A 17 9.591 0.476 -5.305 1.00 0.00 O ATOM 228 CB LYS A 17 11.125 1.250 -2.947 1.00 0.00 C ATOM 229 CG LYS A 17 12.624 1.041 -3.076 1.00 0.00 C ATOM 230 CD LYS A 17 13.220 0.474 -1.799 1.00 0.00 C ATOM 231 CE LYS A 17 14.740 0.504 -1.832 1.00 0.00 C ATOM 232 NZ LYS A 17 15.275 1.862 -1.539 1.00 0.00 N ATOM 0 H LYS A 17 8.965 2.413 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 17 11.282 3.016 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.903 1.617 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.622 0.289 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.828 0.364 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.105 1.990 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.862 1.047 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.878 -0.552 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.133 -0.206 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.088 0.180 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.064 1.786 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.612 2.300 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.523 2.450 -1.126 1.00 0.00 H new ATOM 355 N TRP A 24 14.363 6.524 -4.863 1.00 0.00 N ATOM 356 CA TRP A 24 13.024 6.866 -4.397 1.00 0.00 C ATOM 357 C TRP A 24 12.426 7.990 -5.235 1.00 0.00 C ATOM 358 O TRP A 24 13.143 8.866 -5.721 1.00 0.00 O ATOM 359 CB TRP A 24 13.064 7.277 -2.924 1.00 0.00 C ATOM 360 CG TRP A 24 13.456 6.160 -2.006 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.706 5.897 -1.521 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.594 5.153 -1.464 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.672 4.788 -0.710 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.388 4.314 -0.658 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.228 4.881 -1.578 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.860 3.222 0.026 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.706 3.797 -0.899 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.520 2.979 -0.104 1.00 0.00 C ATOM 0 HA TRP A 24 12.393 5.984 -4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.767 8.101 -2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.083 7.650 -2.632 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.591 6.476 -1.742 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.473 4.383 -0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.592 5.507 -2.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.486 2.589 0.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.652 3.576 -0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.081 2.140 0.416 1.00 0.00 H new ATOM 379 N THR A 25 11.108 7.961 -5.402 1.00 0.00 N ATOM 380 CA THR A 25 10.414 8.977 -6.183 1.00 0.00 C ATOM 381 C THR A 25 9.109 9.391 -5.512 1.00 0.00 C ATOM 382 O THR A 25 8.285 8.546 -5.163 1.00 0.00 O ATOM 383 CB THR A 25 10.109 8.480 -7.609 1.00 0.00 C ATOM 384 OG1 THR A 25 9.317 7.288 -7.553 1.00 0.00 O ATOM 385 CG2 THR A 25 11.395 8.204 -8.372 1.00 0.00 C ATOM 0 H THR A 25 10.499 7.244 -5.007 1.00 0.00 H new ATOM 0 HA THR A 25 11.079 9.839 -6.241 1.00 0.00 H new ATOM 0 HB THR A 25 9.555 9.260 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.659 7.366 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.154 7.854 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.983 9.120 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.971 7.440 -7.850 1.00 0.00 H new ATOM 393 N GLU A 26 8.928 10.696 -5.334 1.00 0.00 N ATOM 394 CA GLU A 26 7.722 11.220 -4.704 1.00 0.00 C ATOM 395 C GLU A 26 6.520 11.090 -5.636 1.00 0.00 C ATOM 396 O GLU A 26 6.392 11.834 -6.608 1.00 0.00 O ATOM 397 CB GLU A 26 7.920 12.686 -4.312 1.00 0.00 C ATOM 398 CG GLU A 26 6.646 13.370 -3.848 1.00 0.00 C ATOM 399 CD GLU A 26 6.734 14.882 -3.924 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.510 15.390 -4.760 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.025 15.557 -3.148 1.00 0.00 O ATOM 0 H GLU A 26 9.600 11.409 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 26 7.529 10.634 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.663 12.743 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.324 13.230 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.811 13.027 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.432 13.073 -2.821 1.00 0.00 H new ATOM 408 N ARG A 27 5.643 10.139 -5.331 1.00 0.00 N ATOM 409 CA ARG A 27 4.453 9.909 -6.141 1.00 0.00 C ATOM 410 C ARG A 27 3.188 10.028 -5.296 1.00 0.00 C ATOM 411 O ARG A 27 3.100 9.455 -4.210 1.00 0.00 O ATOM 412 CB ARG A 27 4.514 8.528 -6.795 1.00 0.00 C ATOM 413 CG ARG A 27 5.520 8.435 -7.931 1.00 0.00 C ATOM 414 CD ARG A 27 4.920 8.905 -9.246 1.00 0.00 C ATOM 415 NE ARG A 27 5.942 9.133 -10.264 1.00 0.00 N ATOM 416 CZ ARG A 27 6.653 10.252 -10.355 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.454 11.239 -9.493 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.566 10.384 -11.309 1.00 0.00 N ATOM 0 H ARG A 27 5.734 9.516 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 27 4.422 10.671 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.766 7.787 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.525 8.271 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.396 9.039 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.861 7.405 -8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.209 8.161 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.361 9.826 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 27 6.120 8.393 -10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.754 11.141 -8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.001 12.097 -9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.723 9.626 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.111 11.243 -11.378 1.00 0.00 H new ATOM 432 N TRP A 28 2.214 10.776 -5.801 1.00 0.00 N ATOM 433 CA TRP A 28 0.954 10.971 -5.091 1.00 0.00 C ATOM 434 C TRP A 28 0.231 9.643 -4.892 1.00 0.00 C ATOM 435 O TRP A 28 0.125 8.838 -5.817 1.00 0.00 O ATOM 436 CB TRP A 28 0.058 11.943 -5.859 1.00 0.00 C ATOM 437 CG TRP A 28 -1.091 12.459 -5.047 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.415 12.171 -5.225 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.019 13.353 -3.931 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.170 12.833 -4.287 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.337 13.564 -3.481 1.00 0.00 C ATOM 442 CE3 TRP A 28 0.030 13.995 -3.268 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.631 14.390 -2.399 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.263 14.814 -2.194 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.584 15.006 -1.768 1.00 0.00 C ATOM 0 H TRP A 28 2.272 11.257 -6.698 1.00 0.00 H new ATOM 0 HA TRP A 28 1.179 11.392 -4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.658 12.785 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.329 11.444 -6.748 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.810 11.519 -5.990 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.186 12.788 -4.204 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.051 13.854 -3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.649 14.539 -2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.540 15.315 -1.674 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.780 15.653 -0.925 1.00 0.00 H new ATOM 456 N PHE A 29 -0.265 9.421 -3.679 1.00 0.00 N ATOM 457 CA PHE A 29 -0.978 8.190 -3.359 1.00 0.00 C ATOM 458 C PHE A 29 -2.413 8.487 -2.933 1.00 0.00 C ATOM 459 O PHE A 29 -2.661 9.389 -2.133 1.00 0.00 O ATOM 460 CB PHE A 29 -0.251 7.430 -2.247 1.00 0.00 C ATOM 461 CG PHE A 29 0.801 6.486 -2.754 1.00 0.00 C ATOM 462 CD1 PHE A 29 2.096 6.926 -2.976 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.495 5.159 -3.010 1.00 0.00 C ATOM 464 CE1 PHE A 29 3.067 6.060 -3.443 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.462 4.288 -3.477 1.00 0.00 C ATOM 466 CZ PHE A 29 2.749 4.740 -3.695 1.00 0.00 C ATOM 0 H PHE A 29 -0.186 10.077 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.005 7.571 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.212 8.148 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.981 6.868 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.350 7.958 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.510 4.801 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.073 6.415 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.211 3.256 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.505 4.062 -4.062 1.00 0.00 H new ATOM 476 N VAL A 30 -3.355 7.722 -3.475 1.00 0.00 N ATOM 477 CA VAL A 30 -4.765 7.902 -3.153 1.00 0.00 C ATOM 478 C VAL A 30 -5.342 6.653 -2.497 1.00 0.00 C ATOM 479 O VAL A 30 -5.751 5.712 -3.179 1.00 0.00 O ATOM 480 CB VAL A 30 -5.590 8.236 -4.410 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.065 8.364 -4.062 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.075 9.511 -5.061 1.00 0.00 C ATOM 0 H VAL A 30 -3.167 6.971 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.826 8.737 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.479 7.420 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.632 8.600 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.423 7.423 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.198 9.160 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.669 9.732 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.155 10.338 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.032 9.378 -5.347 1.00 0.00 H new ATOM 492 N LEU A 31 -5.374 6.649 -1.169 1.00 0.00 N ATOM 493 CA LEU A 31 -5.903 5.515 -0.419 1.00 0.00 C ATOM 494 C LEU A 31 -7.422 5.449 -0.531 1.00 0.00 C ATOM 495 O LEU A 31 -8.136 6.252 0.071 1.00 0.00 O ATOM 496 CB LEU A 31 -5.492 5.615 1.051 1.00 0.00 C ATOM 497 CG LEU A 31 -6.252 4.711 2.023 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.163 3.259 1.581 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.711 4.874 3.436 1.00 0.00 C ATOM 0 H LEU A 31 -5.040 7.419 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.486 4.602 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.429 5.385 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.618 6.649 1.373 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.301 5.007 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.709 2.630 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.598 3.154 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.118 2.950 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.263 4.224 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.655 4.605 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.827 5.911 3.753 1.00 0.00 H new ATOM 511 N LYS A 32 -7.912 4.486 -1.304 1.00 0.00 N ATOM 512 CA LYS A 32 -9.347 4.311 -1.493 1.00 0.00 C ATOM 513 C LYS A 32 -9.921 3.357 -0.451 1.00 0.00 C ATOM 514 O LYS A 32 -9.196 2.612 0.210 1.00 0.00 O ATOM 515 CB LYS A 32 -9.636 3.780 -2.899 1.00 0.00 C ATOM 516 CG LYS A 32 -9.821 4.875 -3.936 1.00 0.00 C ATOM 517 CD LYS A 32 -11.113 5.641 -3.713 1.00 0.00 C ATOM 518 CE LYS A 32 -11.155 6.917 -4.542 1.00 0.00 C ATOM 519 NZ LYS A 32 -11.156 6.629 -6.003 1.00 0.00 N ATOM 0 H LYS A 32 -7.336 3.814 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.825 5.283 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.816 3.132 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.535 3.164 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.977 5.563 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.825 4.436 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.962 5.009 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.213 5.889 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.046 7.489 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.295 7.539 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.253 7.519 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.263 6.166 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.952 6.001 -6.232 1.00 0.00 H new ATOM 533 N PRO A 33 -11.253 3.377 -0.298 1.00 0.00 N ATOM 534 CA PRO A 33 -11.954 2.518 0.661 1.00 0.00 C ATOM 535 C PRO A 33 -11.925 1.049 0.253 1.00 0.00 C ATOM 536 O PRO A 33 -12.009 0.159 1.098 1.00 0.00 O ATOM 537 CB PRO A 33 -13.388 3.052 0.635 1.00 0.00 C ATOM 538 CG PRO A 33 -13.532 3.682 -0.708 1.00 0.00 C ATOM 539 CD PRO A 33 -12.179 4.240 -1.051 1.00 0.00 C ATOM 0 HA PRO A 33 -11.492 2.548 1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.112 2.250 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.556 3.776 1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.852 2.950 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.286 4.469 -0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.987 4.197 -2.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.088 5.284 -0.753 1.00 0.00 H new ATOM 547 N ASN A 34 -11.804 0.803 -1.047 1.00 0.00 N ATOM 548 CA ASN A 34 -11.764 -0.559 -1.567 1.00 0.00 C ATOM 549 C ASN A 34 -10.655 -0.713 -2.604 1.00 0.00 C ATOM 550 O ASN A 34 -10.740 -1.556 -3.497 1.00 0.00 O ATOM 551 CB ASN A 34 -13.113 -0.930 -2.187 1.00 0.00 C ATOM 552 CG ASN A 34 -14.148 -1.299 -1.142 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.265 -0.639 -0.109 1.00 0.00 O ATOM 554 ND2 ASN A 34 -14.904 -2.357 -1.406 1.00 0.00 N ATOM 0 H ASN A 34 -11.732 1.529 -1.760 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.556 -1.233 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.481 -0.091 -2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.977 -1.767 -2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.617 -2.653 -0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.772 -2.874 -2.275 1.00 0.00 H new ATOM 561 N ILE A 35 -9.617 0.107 -2.478 1.00 0.00 N ATOM 562 CA ILE A 35 -8.492 0.061 -3.403 1.00 0.00 C ATOM 563 C ILE A 35 -7.441 1.105 -3.043 1.00 0.00 C ATOM 564 O ILE A 35 -7.608 1.865 -2.088 1.00 0.00 O ATOM 565 CB ILE A 35 -8.947 0.288 -4.857 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.953 -0.348 -5.831 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.097 1.775 -5.139 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.604 -0.921 -7.071 1.00 0.00 C ATOM 0 H ILE A 35 -9.532 0.811 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.056 -0.935 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.918 -0.188 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.219 0.401 -6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.409 -1.140 -5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.419 1.919 -6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.840 2.200 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.140 2.273 -4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.840 -1.355 -7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.318 -1.693 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.124 -0.128 -7.608 1.00 0.00 H new ATOM 580 N ILE A 36 -6.359 1.139 -3.813 1.00 0.00 N ATOM 581 CA ILE A 36 -5.282 2.092 -3.577 1.00 0.00 C ATOM 582 C ILE A 36 -4.589 2.473 -4.881 1.00 0.00 C ATOM 583 O ILE A 36 -3.814 1.694 -5.435 1.00 0.00 O ATOM 584 CB ILE A 36 -4.235 1.528 -2.599 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.873 1.259 -1.234 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.065 2.491 -2.462 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.890 0.773 -0.193 1.00 0.00 C ATOM 0 H ILE A 36 -6.205 0.517 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.737 2.979 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.860 0.585 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.346 2.174 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.663 0.517 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.333 2.078 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.598 2.637 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.424 3.448 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.412 0.603 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.435 -0.159 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.114 1.524 -0.047 1.00 0.00 H new ATOM 599 N SER A 37 -4.874 3.678 -5.366 1.00 0.00 N ATOM 600 CA SER A 37 -4.280 4.163 -6.606 1.00 0.00 C ATOM 601 C SER A 37 -3.368 5.357 -6.341 1.00 0.00 C ATOM 602 O SER A 37 -3.704 6.247 -5.560 1.00 0.00 O ATOM 603 CB SER A 37 -5.374 4.553 -7.602 1.00 0.00 C ATOM 604 OG SER A 37 -6.319 3.508 -7.757 1.00 0.00 O ATOM 0 H SER A 37 -5.513 4.336 -4.919 1.00 0.00 H new ATOM 0 HA SER A 37 -3.681 3.358 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.879 5.456 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.925 4.787 -8.567 1.00 0.00 H new ATOM 0 HG SER A 37 -7.008 3.783 -8.397 1.00 0.00 H new ATOM 610 N TYR A 38 -2.213 5.368 -6.998 1.00 0.00 N ATOM 611 CA TYR A 38 -1.251 6.451 -6.832 1.00 0.00 C ATOM 612 C TYR A 38 -0.973 7.141 -8.164 1.00 0.00 C ATOM 613 O TYR A 38 -0.583 6.499 -9.140 1.00 0.00 O ATOM 614 CB TYR A 38 0.054 5.916 -6.240 1.00 0.00 C ATOM 615 CG TYR A 38 0.658 4.779 -7.034 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.141 3.493 -6.946 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.744 4.993 -7.874 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.690 2.451 -7.669 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.299 3.957 -8.602 1.00 0.00 C ATOM 620 CZ TYR A 38 1.768 2.689 -8.495 1.00 0.00 C ATOM 621 OH TYR A 38 2.317 1.654 -9.218 1.00 0.00 O ATOM 0 H TYR A 38 -1.921 4.640 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.680 7.182 -6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.776 6.730 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.131 5.578 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.705 3.304 -6.301 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.162 5.985 -7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.277 1.456 -7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.143 4.140 -9.250 1.00 0.00 H new ATOM 0 HH TYR A 38 3.068 1.989 -9.751 1.00 0.00 H new ATOM 631 N TYR A 39 -1.176 8.453 -8.197 1.00 0.00 N ATOM 632 CA TYR A 39 -0.950 9.232 -9.409 1.00 0.00 C ATOM 633 C TYR A 39 0.398 9.946 -9.354 1.00 0.00 C ATOM 634 O TYR A 39 0.980 10.116 -8.283 1.00 0.00 O ATOM 635 CB TYR A 39 -2.072 10.253 -9.601 1.00 0.00 C ATOM 636 CG TYR A 39 -3.450 9.633 -9.666 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.110 9.238 -8.508 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.091 9.441 -10.883 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.368 8.670 -8.562 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.350 8.876 -10.946 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.984 8.492 -9.783 1.00 0.00 C ATOM 642 OH TYR A 39 -7.238 7.927 -9.842 1.00 0.00 O ATOM 0 H TYR A 39 -1.497 9.000 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.944 8.545 -10.256 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.044 10.970 -8.781 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.890 10.812 -10.519 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.631 9.378 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.597 9.739 -11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.866 8.367 -7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.835 8.736 -11.901 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.608 8.046 -10.742 1.00 0.00 H new ATOM 652 N VAL A 40 0.887 10.362 -10.517 1.00 0.00 N ATOM 653 CA VAL A 40 2.165 11.059 -10.604 1.00 0.00 C ATOM 654 C VAL A 40 2.226 12.219 -9.617 1.00 0.00 C ATOM 655 O VAL A 40 3.237 12.424 -8.945 1.00 0.00 O ATOM 656 CB VAL A 40 2.417 11.595 -12.025 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.738 12.347 -12.087 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.394 10.458 -13.035 1.00 0.00 C ATOM 0 H VAL A 40 0.418 10.229 -11.413 1.00 0.00 H new ATOM 0 HA VAL A 40 2.939 10.333 -10.356 1.00 0.00 H new ATOM 0 HB VAL A 40 1.618 12.292 -12.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.898 12.718 -13.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.712 13.187 -11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.552 11.676 -11.814 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.574 10.855 -14.034 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.171 9.735 -12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.421 9.968 -13.009 1.00 0.00 H new ATOM 668 N SER A 41 1.137 12.977 -9.534 1.00 0.00 N ATOM 669 CA SER A 41 1.067 14.119 -8.631 1.00 0.00 C ATOM 670 C SER A 41 -0.291 14.182 -7.937 1.00 0.00 C ATOM 671 O SER A 41 -1.124 13.291 -8.101 1.00 0.00 O ATOM 672 CB SER A 41 1.320 15.419 -9.398 1.00 0.00 C ATOM 673 OG SER A 41 2.706 15.708 -9.469 1.00 0.00 O ATOM 0 H SER A 41 0.291 12.820 -10.082 1.00 0.00 H new ATOM 0 HA SER A 41 1.839 13.997 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.911 15.336 -10.405 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.798 16.241 -8.908 1.00 0.00 H new ATOM 0 HG SER A 41 2.841 16.542 -9.965 1.00 0.00 H new ATOM 679 N GLU A 42 -0.504 15.240 -7.162 1.00 0.00 N ATOM 680 CA GLU A 42 -1.760 15.418 -6.443 1.00 0.00 C ATOM 681 C GLU A 42 -2.817 16.054 -7.341 1.00 0.00 C ATOM 682 O GLU A 42 -3.637 16.850 -6.886 1.00 0.00 O ATOM 683 CB GLU A 42 -1.543 16.285 -5.200 1.00 0.00 C ATOM 684 CG GLU A 42 -1.270 17.746 -5.517 1.00 0.00 C ATOM 685 CD GLU A 42 -0.823 18.533 -4.301 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.016 17.999 -3.512 1.00 0.00 O ATOM 687 OE2 GLU A 42 -1.280 19.684 -4.139 1.00 0.00 O ATOM 0 H GLU A 42 0.176 15.986 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.115 14.434 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.425 16.219 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.706 15.883 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.502 17.809 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.172 18.200 -5.927 1.00 0.00 H new ATOM 694 N ASP A 43 -2.789 15.696 -8.620 1.00 0.00 N ATOM 695 CA ASP A 43 -3.745 16.230 -9.584 1.00 0.00 C ATOM 696 C ASP A 43 -4.828 15.204 -9.901 1.00 0.00 C ATOM 697 O ASP A 43 -5.971 15.562 -10.190 1.00 0.00 O ATOM 698 CB ASP A 43 -3.027 16.645 -10.869 1.00 0.00 C ATOM 699 CG ASP A 43 -2.193 17.898 -10.688 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.615 18.786 -9.917 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.117 17.991 -11.315 1.00 0.00 O ATOM 0 H ASP A 43 -2.115 15.039 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.219 17.106 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.385 15.830 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.763 16.813 -11.655 1.00 0.00 H new ATOM 706 N LEU A 44 -4.462 13.928 -9.846 1.00 0.00 N ATOM 707 CA LEU A 44 -5.403 12.850 -10.128 1.00 0.00 C ATOM 708 C LEU A 44 -5.827 12.866 -11.593 1.00 0.00 C ATOM 709 O LEU A 44 -7.009 12.733 -11.911 1.00 0.00 O ATOM 710 CB LEU A 44 -6.634 12.972 -9.228 1.00 0.00 C ATOM 711 CG LEU A 44 -6.359 13.219 -7.744 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.650 13.543 -7.009 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.675 12.012 -7.120 1.00 0.00 C ATOM 0 H LEU A 44 -3.521 13.615 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.903 11.903 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.254 13.787 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.219 12.057 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.690 14.075 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.435 13.716 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.099 14.438 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.343 12.707 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.487 12.206 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.318 11.138 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.729 11.827 -7.629 1.00 0.00 H new ATOM 725 N LYS A 45 -4.853 13.026 -12.483 1.00 0.00 N ATOM 726 CA LYS A 45 -5.123 13.056 -13.916 1.00 0.00 C ATOM 727 C LYS A 45 -4.391 11.925 -14.631 1.00 0.00 C ATOM 728 O LYS A 45 -4.953 11.265 -15.506 1.00 0.00 O ATOM 729 CB LYS A 45 -4.703 14.404 -14.507 1.00 0.00 C ATOM 730 CG LYS A 45 -5.425 15.590 -13.892 1.00 0.00 C ATOM 731 CD LYS A 45 -5.504 16.758 -14.860 1.00 0.00 C ATOM 732 CE LYS A 45 -4.232 17.590 -14.835 1.00 0.00 C ATOM 733 NZ LYS A 45 -4.468 18.980 -15.313 1.00 0.00 N ATOM 0 H LYS A 45 -3.869 13.137 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.195 12.921 -14.062 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.629 14.532 -14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.888 14.394 -15.581 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.431 15.292 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.907 15.902 -12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.676 16.384 -15.869 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.356 17.387 -14.604 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.836 17.618 -13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.475 17.115 -15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.576 19.514 -15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.822 18.956 -16.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.171 19.442 -14.702 1.00 0.00 H new ATOM 747 N ASP A 46 -3.137 11.705 -14.252 1.00 0.00 N ATOM 748 CA ASP A 46 -2.329 10.652 -14.856 1.00 0.00 C ATOM 749 C ASP A 46 -2.091 9.515 -13.866 1.00 0.00 C ATOM 750 O ASP A 46 -1.136 9.544 -13.089 1.00 0.00 O ATOM 751 CB ASP A 46 -0.991 11.217 -15.334 1.00 0.00 C ATOM 752 CG ASP A 46 -1.120 11.990 -16.632 1.00 0.00 C ATOM 753 OD1 ASP A 46 -2.030 11.670 -17.425 1.00 0.00 O ATOM 754 OD2 ASP A 46 -0.311 12.915 -16.854 1.00 0.00 O ATOM 0 H ASP A 46 -2.658 12.242 -13.529 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.874 10.256 -15.713 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.580 11.871 -14.565 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.282 10.400 -15.470 1.00 0.00 H new ATOM 759 N LYS A 47 -2.966 8.516 -13.899 1.00 0.00 N ATOM 760 CA LYS A 47 -2.852 7.369 -13.006 1.00 0.00 C ATOM 761 C LYS A 47 -1.654 6.504 -13.382 1.00 0.00 C ATOM 762 O LYS A 47 -1.207 6.508 -14.529 1.00 0.00 O ATOM 763 CB LYS A 47 -4.133 6.533 -13.051 1.00 0.00 C ATOM 764 CG LYS A 47 -4.122 5.352 -12.095 1.00 0.00 C ATOM 765 CD LYS A 47 -5.481 4.676 -12.029 1.00 0.00 C ATOM 766 CE LYS A 47 -6.471 5.492 -11.211 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.876 5.252 -11.640 1.00 0.00 N ATOM 0 H LYS A 47 -3.763 8.477 -14.535 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.704 7.742 -11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.983 7.173 -12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.282 6.166 -14.067 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.371 4.630 -12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.834 5.691 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.869 4.537 -13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.374 3.684 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.365 5.239 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.237 6.552 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.519 5.826 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.984 5.517 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.108 4.245 -11.522 1.00 0.00 H new ATOM 781 N LYS A 48 -1.139 5.760 -12.409 1.00 0.00 N ATOM 782 CA LYS A 48 0.006 4.886 -12.638 1.00 0.00 C ATOM 783 C LYS A 48 -0.393 3.420 -12.504 1.00 0.00 C ATOM 784 O LYS A 48 0.096 2.564 -13.240 1.00 0.00 O ATOM 785 CB LYS A 48 1.128 5.213 -11.650 1.00 0.00 C ATOM 786 CG LYS A 48 1.755 6.578 -11.871 1.00 0.00 C ATOM 787 CD LYS A 48 2.592 6.609 -13.138 1.00 0.00 C ATOM 788 CE LYS A 48 4.019 6.152 -12.875 1.00 0.00 C ATOM 789 NZ LYS A 48 4.171 4.681 -13.048 1.00 0.00 N ATOM 0 H LYS A 48 -1.496 5.745 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 48 0.364 5.055 -13.654 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.733 5.164 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.903 4.450 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.972 7.333 -11.933 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.379 6.835 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.136 5.967 -13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.602 7.620 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.697 6.669 -13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.309 6.430 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.133 4.468 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.006 4.206 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.480 4.340 -13.747 1.00 0.00 H new ATOM 803 N GLY A 49 -1.286 3.138 -11.560 1.00 0.00 N ATOM 804 CA GLY A 49 -1.736 1.775 -11.349 1.00 0.00 C ATOM 805 C GLY A 49 -2.774 1.671 -10.249 1.00 0.00 C ATOM 806 O GLY A 49 -3.211 2.683 -9.701 1.00 0.00 O ATOM 0 H GLY A 49 -1.705 3.829 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.155 1.386 -12.277 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.881 1.148 -11.098 1.00 0.00 H new ATOM 810 N ASP A 50 -3.172 0.445 -9.927 1.00 0.00 N ATOM 811 CA ASP A 50 -4.166 0.213 -8.886 1.00 0.00 C ATOM 812 C ASP A 50 -3.827 -1.036 -8.079 1.00 0.00 C ATOM 813 O ASP A 50 -3.399 -2.048 -8.635 1.00 0.00 O ATOM 814 CB ASP A 50 -5.559 0.074 -9.503 1.00 0.00 C ATOM 815 CG ASP A 50 -5.762 -1.269 -10.176 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.316 -1.428 -11.332 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.366 -2.163 -9.546 1.00 0.00 O ATOM 0 H ASP A 50 -2.821 -0.403 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.159 1.071 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.312 0.205 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.711 0.870 -10.232 1.00 0.00 H new ATOM 822 N ILE A 51 -4.019 -0.957 -6.767 1.00 0.00 N ATOM 823 CA ILE A 51 -3.733 -2.081 -5.884 1.00 0.00 C ATOM 824 C ILE A 51 -5.013 -2.634 -5.265 1.00 0.00 C ATOM 825 O ILE A 51 -5.430 -2.205 -4.188 1.00 0.00 O ATOM 826 CB ILE A 51 -2.763 -1.680 -4.757 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.444 -1.176 -5.346 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.518 -2.857 -3.825 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.598 -0.403 -4.359 1.00 0.00 C ATOM 0 H ILE A 51 -4.372 -0.126 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.266 -2.852 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.214 -0.873 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.871 -2.027 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.658 -0.540 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.830 -2.558 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.463 -3.175 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.085 -3.683 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.321 -0.077 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.152 0.468 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.353 -1.042 -3.511 1.00 0.00 H new ATOM 841 N LEU A 52 -5.630 -3.589 -5.951 1.00 0.00 N ATOM 842 CA LEU A 52 -6.863 -4.203 -5.468 1.00 0.00 C ATOM 843 C LEU A 52 -6.716 -4.649 -4.017 1.00 0.00 C ATOM 844 O LEU A 52 -5.976 -5.587 -3.716 1.00 0.00 O ATOM 845 CB LEU A 52 -7.238 -5.398 -6.346 1.00 0.00 C ATOM 846 CG LEU A 52 -7.262 -5.143 -7.853 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.329 -6.457 -8.616 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.435 -4.248 -8.224 1.00 0.00 C ATOM 0 H LEU A 52 -5.298 -3.955 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.657 -3.458 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.534 -6.205 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.223 -5.752 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.340 -4.632 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.345 -6.255 -9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.456 -7.063 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.234 -6.996 -8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.436 -4.077 -9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.368 -4.731 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.343 -3.294 -7.705 1.00 0.00 H new ATOM 860 N LEU A 53 -7.427 -3.973 -3.121 1.00 0.00 N ATOM 861 CA LEU A 53 -7.379 -4.301 -1.701 1.00 0.00 C ATOM 862 C LEU A 53 -8.183 -5.563 -1.405 1.00 0.00 C ATOM 863 O LEU A 53 -9.346 -5.675 -1.793 1.00 0.00 O ATOM 864 CB LEU A 53 -7.915 -3.135 -0.869 1.00 0.00 C ATOM 865 CG LEU A 53 -6.982 -1.932 -0.719 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.701 -0.781 -0.033 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.732 -2.321 0.057 1.00 0.00 C ATOM 0 H LEU A 53 -8.044 -3.194 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.339 -4.484 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.847 -2.793 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.159 -3.507 0.126 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.681 -1.603 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.022 0.066 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.565 -0.486 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.032 -1.097 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.079 -1.453 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.015 -2.675 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.205 -3.113 -0.475 1.00 0.00 H new ATOM 879 N ASP A 54 -7.556 -6.509 -0.715 1.00 0.00 N ATOM 880 CA ASP A 54 -8.214 -7.763 -0.364 1.00 0.00 C ATOM 881 C ASP A 54 -7.768 -8.244 1.013 1.00 0.00 C ATOM 882 O ASP A 54 -6.607 -8.085 1.389 1.00 0.00 O ATOM 883 CB ASP A 54 -7.914 -8.833 -1.415 1.00 0.00 C ATOM 884 CG ASP A 54 -8.422 -8.451 -2.791 1.00 0.00 C ATOM 885 OD1 ASP A 54 -7.722 -7.690 -3.491 1.00 0.00 O ATOM 886 OD2 ASP A 54 -9.520 -8.912 -3.168 1.00 0.00 O ATOM 0 H ASP A 54 -6.593 -6.432 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.289 -7.585 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.838 -9.001 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.370 -9.775 -1.111 1.00 0.00 H new ATOM 891 N GLU A 55 -8.697 -8.833 1.759 1.00 0.00 N ATOM 892 CA GLU A 55 -8.398 -9.336 3.095 1.00 0.00 C ATOM 893 C GLU A 55 -6.974 -9.879 3.165 1.00 0.00 C ATOM 894 O GLU A 55 -6.292 -9.730 4.178 1.00 0.00 O ATOM 895 CB GLU A 55 -9.393 -10.430 3.486 1.00 0.00 C ATOM 896 CG GLU A 55 -9.360 -11.640 2.567 1.00 0.00 C ATOM 897 CD GLU A 55 -10.149 -12.812 3.118 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.391 -12.841 4.343 1.00 0.00 O ATOM 899 OE2 GLU A 55 -10.524 -13.700 2.324 1.00 0.00 O ATOM 0 H GLU A 55 -9.662 -8.974 1.461 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.487 -8.507 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.183 -10.753 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.399 -10.011 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.761 -11.363 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.325 -11.945 2.410 1.00 0.00 H new ATOM 906 N ASN A 56 -6.533 -10.510 2.082 1.00 0.00 N ATOM 907 CA ASN A 56 -5.191 -11.076 2.021 1.00 0.00 C ATOM 908 C ASN A 56 -4.133 -9.987 2.167 1.00 0.00 C ATOM 909 O ASN A 56 -3.265 -10.061 3.037 1.00 0.00 O ATOM 910 CB ASN A 56 -4.990 -11.824 0.701 1.00 0.00 C ATOM 911 CG ASN A 56 -5.388 -13.284 0.798 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.535 -14.171 0.827 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.690 -13.540 0.848 1.00 0.00 N ATOM 0 H ASN A 56 -7.085 -10.642 1.235 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.082 -11.777 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.577 -11.341 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.944 -11.754 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.018 -14.504 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.362 -12.773 0.821 1.00 0.00 H new ATOM 920 N CYS A 57 -4.212 -8.974 1.310 1.00 0.00 N ATOM 921 CA CYS A 57 -3.263 -7.868 1.342 1.00 0.00 C ATOM 922 C CYS A 57 -3.159 -7.281 2.747 1.00 0.00 C ATOM 923 O CYS A 57 -4.109 -7.343 3.528 1.00 0.00 O ATOM 924 CB CYS A 57 -3.683 -6.780 0.352 1.00 0.00 C ATOM 925 SG CYS A 57 -3.397 -7.212 -1.394 1.00 0.00 S ATOM 0 H CYS A 57 -4.925 -8.897 0.584 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.284 -8.253 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.742 -6.565 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.138 -5.864 0.582 1.00 0.00 H new ATOM 930 N CYS A 58 -2.000 -6.712 3.060 1.00 0.00 N ATOM 931 CA CYS A 58 -1.771 -6.115 4.370 1.00 0.00 C ATOM 932 C CYS A 58 -0.579 -5.164 4.333 1.00 0.00 C ATOM 933 O CYS A 58 0.211 -5.178 3.389 1.00 0.00 O ATOM 934 CB CYS A 58 -1.538 -7.205 5.417 1.00 0.00 C ATOM 935 SG CYS A 58 -0.054 -8.198 5.131 1.00 0.00 S ATOM 0 H CYS A 58 -1.205 -6.652 2.424 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.659 -5.545 4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.467 -6.740 6.400 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.405 -7.865 5.438 1.00 0.00 H new ATOM 0 HG CYS A 58 0.058 -9.091 6.069 1.00 0.00 H new ATOM 941 N VAL A 59 -0.457 -4.337 5.367 1.00 0.00 N ATOM 942 CA VAL A 59 0.639 -3.378 5.453 1.00 0.00 C ATOM 943 C VAL A 59 1.467 -3.601 6.713 1.00 0.00 C ATOM 944 O VAL A 59 0.935 -3.970 7.760 1.00 0.00 O ATOM 945 CB VAL A 59 0.118 -1.929 5.444 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.861 -1.706 6.587 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.276 -0.946 5.525 1.00 0.00 C ATOM 0 H VAL A 59 -1.103 -4.312 6.156 1.00 0.00 H new ATOM 0 HA VAL A 59 1.267 -3.536 4.577 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.410 -1.757 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.218 -0.676 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.706 -2.386 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.361 -1.896 7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.889 0.073 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.834 -1.116 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.936 -1.090 4.670 1.00 0.00 H new ATOM 957 N GLU A 60 2.772 -3.375 6.604 1.00 0.00 N ATOM 958 CA GLU A 60 3.674 -3.552 7.736 1.00 0.00 C ATOM 959 C GLU A 60 4.604 -2.351 7.885 1.00 0.00 C ATOM 960 O GLU A 60 4.723 -1.529 6.976 1.00 0.00 O ATOM 961 CB GLU A 60 4.498 -4.830 7.565 1.00 0.00 C ATOM 962 CG GLU A 60 3.698 -6.003 7.024 1.00 0.00 C ATOM 963 CD GLU A 60 4.224 -7.341 7.506 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.439 -7.589 7.355 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.423 -8.139 8.034 1.00 0.00 O ATOM 0 H GLU A 60 3.228 -3.069 5.744 1.00 0.00 H new ATOM 0 HA GLU A 60 3.069 -3.635 8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.331 -4.628 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.927 -5.107 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.656 -5.897 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.719 -5.980 5.934 1.00 0.00 H new ATOM 972 N SER A 61 5.259 -2.257 9.037 1.00 0.00 N ATOM 973 CA SER A 61 6.175 -1.154 9.307 1.00 0.00 C ATOM 974 C SER A 61 7.624 -1.628 9.263 1.00 0.00 C ATOM 975 O SER A 61 8.038 -2.472 10.059 1.00 0.00 O ATOM 976 CB SER A 61 5.870 -0.534 10.672 1.00 0.00 C ATOM 977 OG SER A 61 6.766 0.525 10.962 1.00 0.00 O ATOM 0 H SER A 61 5.173 -2.930 9.798 1.00 0.00 H new ATOM 0 HA SER A 61 6.035 -0.399 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.846 -0.162 10.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.942 -1.298 11.446 1.00 0.00 H new ATOM 0 HG SER A 61 6.773 0.693 11.927 1.00 0.00 H new ATOM 983 N LEU A 62 8.391 -1.079 8.328 1.00 0.00 N ATOM 984 CA LEU A 62 9.796 -1.445 8.179 1.00 0.00 C ATOM 985 C LEU A 62 10.703 -0.384 8.793 1.00 0.00 C ATOM 986 O LEU A 62 10.451 0.817 8.693 1.00 0.00 O ATOM 987 CB LEU A 62 10.140 -1.632 6.700 1.00 0.00 C ATOM 988 CG LEU A 62 9.243 -2.593 5.919 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.650 -2.631 4.454 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.301 -3.988 6.526 1.00 0.00 C ATOM 0 H LEU A 62 8.065 -0.379 7.662 1.00 0.00 H new ATOM 0 HA LEU A 62 9.959 -2.385 8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.105 -0.657 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.168 -1.987 6.629 1.00 0.00 H new ATOM 0 HG LEU A 62 8.216 -2.233 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.001 -3.320 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.558 -1.633 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.684 -2.967 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.657 -4.659 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.326 -4.356 6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.961 -3.949 7.561 1.00 0.00 H new ATOM 1002 N PRO A 63 11.786 -0.835 9.444 1.00 0.00 N ATOM 1003 CA PRO A 63 12.754 0.059 10.085 1.00 0.00 C ATOM 1004 C PRO A 63 13.573 0.851 9.070 1.00 0.00 C ATOM 1005 O PRO A 63 13.249 0.877 7.883 1.00 0.00 O ATOM 1006 CB PRO A 63 13.655 -0.898 10.869 1.00 0.00 C ATOM 1007 CG PRO A 63 13.549 -2.196 10.147 1.00 0.00 C ATOM 1008 CD PRO A 63 12.148 -2.253 9.603 1.00 0.00 C ATOM 0 HA PRO A 63 12.266 0.811 10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.685 -0.542 10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.326 -0.993 11.904 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.283 -2.257 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.742 -3.033 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.107 -2.787 8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.472 -2.766 10.287 1.00 0.00 H new ATOM 1016 N ASP A 64 14.634 1.493 9.546 1.00 0.00 N ATOM 1017 CA ASP A 64 15.500 2.284 8.679 1.00 0.00 C ATOM 1018 C ASP A 64 16.582 1.412 8.051 1.00 0.00 C ATOM 1019 O ASP A 64 17.346 0.749 8.753 1.00 0.00 O ATOM 1020 CB ASP A 64 16.142 3.426 9.469 1.00 0.00 C ATOM 1021 CG ASP A 64 15.150 4.138 10.367 1.00 0.00 C ATOM 1022 OD1 ASP A 64 13.931 4.016 10.120 1.00 0.00 O ATOM 1023 OD2 ASP A 64 15.592 4.816 11.318 1.00 0.00 O ATOM 0 H ASP A 64 14.915 1.481 10.526 1.00 0.00 H new ATOM 0 HA ASP A 64 14.888 2.704 7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.958 3.031 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.579 4.144 8.775 1.00 0.00 H new ATOM 1028 N LYS A 65 16.642 1.417 6.723 1.00 0.00 N ATOM 1029 CA LYS A 65 17.630 0.627 5.999 1.00 0.00 C ATOM 1030 C LYS A 65 18.517 1.521 5.138 1.00 0.00 C ATOM 1031 O LYS A 65 19.744 1.459 5.221 1.00 0.00 O ATOM 1032 CB LYS A 65 16.936 -0.416 5.120 1.00 0.00 C ATOM 1033 CG LYS A 65 16.076 0.188 4.023 1.00 0.00 C ATOM 1034 CD LYS A 65 15.083 -0.822 3.473 1.00 0.00 C ATOM 1035 CE LYS A 65 13.808 -0.858 4.303 1.00 0.00 C ATOM 1036 NZ LYS A 65 12.818 -1.826 3.755 1.00 0.00 N ATOM 0 H LYS A 65 16.017 1.960 6.127 1.00 0.00 H new ATOM 0 HA LYS A 65 18.257 0.118 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.692 -1.057 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.314 -1.053 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.539 1.052 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.714 0.549 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.840 -0.570 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.538 -1.812 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.051 -1.129 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.365 0.138 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.878 -1.382 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.100 -2.104 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.784 -2.669 4.363 1.00 0.00 H new ATOM 1050 N ASP A 66 17.889 2.353 4.315 1.00 0.00 N ATOM 1051 CA ASP A 66 18.622 3.263 3.441 1.00 0.00 C ATOM 1052 C ASP A 66 18.530 4.697 3.951 1.00 0.00 C ATOM 1053 O ASP A 66 17.816 5.524 3.384 1.00 0.00 O ATOM 1054 CB ASP A 66 18.079 3.180 2.014 1.00 0.00 C ATOM 1055 CG ASP A 66 18.782 2.120 1.188 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.389 1.207 1.786 1.00 0.00 O ATOM 1057 OD2 ASP A 66 18.725 2.204 -0.056 1.00 0.00 O ATOM 0 H ASP A 66 16.874 2.417 4.234 1.00 0.00 H new ATOM 0 HA ASP A 66 19.670 2.963 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.011 2.962 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.192 4.149 1.528 1.00 0.00 H new ATOM 1062 N GLY A 67 19.257 4.986 5.027 1.00 0.00 N ATOM 1063 CA GLY A 67 19.242 6.321 5.596 1.00 0.00 C ATOM 1064 C GLY A 67 17.868 6.959 5.542 1.00 0.00 C ATOM 1065 O GLY A 67 17.725 8.108 5.122 1.00 0.00 O ATOM 0 H GLY A 67 19.856 4.319 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.577 6.275 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.952 6.950 5.059 1.00 0.00 H new ATOM 1069 N LYS A 68 16.854 6.213 5.966 1.00 0.00 N ATOM 1070 CA LYS A 68 15.484 6.712 5.965 1.00 0.00 C ATOM 1071 C LYS A 68 14.858 6.586 7.350 1.00 0.00 C ATOM 1072 O LYS A 68 15.501 6.128 8.295 1.00 0.00 O ATOM 1073 CB LYS A 68 14.642 5.946 4.942 1.00 0.00 C ATOM 1074 CG LYS A 68 14.791 6.464 3.522 1.00 0.00 C ATOM 1075 CD LYS A 68 13.895 7.666 3.270 1.00 0.00 C ATOM 1076 CE LYS A 68 13.571 7.819 1.792 1.00 0.00 C ATOM 1077 NZ LYS A 68 14.755 8.266 1.008 1.00 0.00 N ATOM 0 H LYS A 68 16.955 5.260 6.315 1.00 0.00 H new ATOM 0 HA LYS A 68 15.508 7.767 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.924 4.893 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.593 6.002 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.830 6.739 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.544 5.671 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.970 7.557 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.386 8.569 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.213 6.868 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.762 8.539 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.603 9.239 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.602 8.236 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.888 7.636 0.191 1.00 0.00 H new ATOM 1091 N LYS A 69 13.598 6.994 7.464 1.00 0.00 N ATOM 1092 CA LYS A 69 12.883 6.924 8.733 1.00 0.00 C ATOM 1093 C LYS A 69 11.388 6.728 8.505 1.00 0.00 C ATOM 1094 O LYS A 69 10.820 7.264 7.552 1.00 0.00 O ATOM 1095 CB LYS A 69 13.123 8.198 9.547 1.00 0.00 C ATOM 1096 CG LYS A 69 12.764 9.472 8.802 1.00 0.00 C ATOM 1097 CD LYS A 69 13.949 10.012 8.019 1.00 0.00 C ATOM 1098 CE LYS A 69 13.678 11.414 7.494 1.00 0.00 C ATOM 1099 NZ LYS A 69 12.579 11.427 6.490 1.00 0.00 N ATOM 0 H LYS A 69 13.051 7.377 6.693 1.00 0.00 H new ATOM 0 HA LYS A 69 13.263 6.067 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.539 8.147 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.172 8.241 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.936 9.275 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.422 10.225 9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.832 10.026 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.169 9.346 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.418 12.069 8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.586 11.815 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.448 12.394 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.823 10.795 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.698 11.100 6.936 1.00 0.00 H new ATOM 1113 N CYS A 70 10.756 5.959 9.384 1.00 0.00 N ATOM 1114 CA CYS A 70 9.326 5.693 9.279 1.00 0.00 C ATOM 1115 C CYS A 70 9.000 4.982 7.969 1.00 0.00 C ATOM 1116 O CYS A 70 8.163 5.441 7.192 1.00 0.00 O ATOM 1117 CB CYS A 70 8.535 6.998 9.374 1.00 0.00 C ATOM 1118 SG CYS A 70 8.301 7.597 11.064 1.00 0.00 S ATOM 0 H CYS A 70 11.211 5.508 10.178 1.00 0.00 H new ATOM 0 HA CYS A 70 9.041 5.042 10.106 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.050 7.765 8.796 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.558 6.853 8.913 1.00 0.00 H new ATOM 0 HG CYS A 70 8.018 8.866 11.039 1.00 0.00 H new ATOM 1124 N LEU A 71 9.669 3.859 7.730 1.00 0.00 N ATOM 1125 CA LEU A 71 9.452 3.084 6.513 1.00 0.00 C ATOM 1126 C LEU A 71 8.329 2.070 6.706 1.00 0.00 C ATOM 1127 O LEU A 71 8.174 1.496 7.784 1.00 0.00 O ATOM 1128 CB LEU A 71 10.739 2.365 6.107 1.00 0.00 C ATOM 1129 CG LEU A 71 11.690 3.150 5.203 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.120 2.662 5.380 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.261 3.032 3.747 1.00 0.00 C ATOM 0 H LEU A 71 10.366 3.465 8.362 1.00 0.00 H new ATOM 0 HA LEU A 71 9.162 3.773 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.278 2.087 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.469 1.439 5.600 1.00 0.00 H new ATOM 0 HG LEU A 71 11.648 4.201 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.782 3.232 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.425 2.799 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.178 1.605 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.949 3.597 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.273 1.984 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.253 3.431 3.631 1.00 0.00 H new ATOM 1143 N PHE A 72 7.548 1.852 5.652 1.00 0.00 N ATOM 1144 CA PHE A 72 6.439 0.906 5.705 1.00 0.00 C ATOM 1145 C PHE A 72 6.184 0.290 4.332 1.00 0.00 C ATOM 1146 O PHE A 72 6.088 0.999 3.329 1.00 0.00 O ATOM 1147 CB PHE A 72 5.172 1.600 6.209 1.00 0.00 C ATOM 1148 CG PHE A 72 4.569 2.545 5.209 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.721 2.077 4.217 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.849 3.901 5.260 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.164 2.943 3.296 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.294 4.772 4.342 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.451 4.293 3.358 1.00 0.00 C ATOM 0 H PHE A 72 7.663 2.317 4.752 1.00 0.00 H new ATOM 0 HA PHE A 72 6.707 0.108 6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.433 0.843 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.406 2.149 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.493 1.023 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.509 4.282 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.505 2.565 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.519 5.827 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.017 4.972 2.639 1.00 0.00 H new ATOM 1163 N LEU A 73 6.076 -1.033 4.295 1.00 0.00 N ATOM 1164 CA LEU A 73 5.833 -1.746 3.046 1.00 0.00 C ATOM 1165 C LEU A 73 4.526 -2.531 3.113 1.00 0.00 C ATOM 1166 O LEU A 73 4.086 -2.934 4.190 1.00 0.00 O ATOM 1167 CB LEU A 73 6.995 -2.693 2.742 1.00 0.00 C ATOM 1168 CG LEU A 73 6.766 -3.693 1.608 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.087 -4.073 0.957 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.049 -4.931 2.125 1.00 0.00 C ATOM 0 H LEU A 73 6.153 -1.634 5.116 1.00 0.00 H new ATOM 0 HA LEU A 73 5.753 -1.010 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.872 -2.093 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.231 -3.250 3.649 1.00 0.00 H new ATOM 0 HG LEU A 73 6.135 -3.221 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.904 -4.785 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.562 -3.180 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.742 -4.526 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.895 -5.631 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.654 -5.405 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.084 -4.644 2.544 1.00 0.00 H new ATOM 1182 N VAL A 74 3.911 -2.746 1.954 1.00 0.00 N ATOM 1183 CA VAL A 74 2.657 -3.486 1.880 1.00 0.00 C ATOM 1184 C VAL A 74 2.849 -4.825 1.179 1.00 0.00 C ATOM 1185 O VAL A 74 3.399 -4.890 0.079 1.00 0.00 O ATOM 1186 CB VAL A 74 1.574 -2.681 1.138 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.301 -3.501 0.997 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.296 -1.371 1.859 1.00 0.00 C ATOM 0 H VAL A 74 4.261 -2.418 1.054 1.00 0.00 H new ATOM 0 HA VAL A 74 2.331 -3.660 2.906 1.00 0.00 H new ATOM 0 HB VAL A 74 1.941 -2.449 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.452 -2.915 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.514 -4.409 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.072 -3.767 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.528 -0.815 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.950 -1.579 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.210 -0.778 1.902 1.00 0.00 H new ATOM 1198 N LYS A 75 2.393 -5.895 1.822 1.00 0.00 N ATOM 1199 CA LYS A 75 2.512 -7.235 1.260 1.00 0.00 C ATOM 1200 C LYS A 75 1.166 -7.729 0.741 1.00 0.00 C ATOM 1201 O LYS A 75 0.188 -7.794 1.486 1.00 0.00 O ATOM 1202 CB LYS A 75 3.052 -8.205 2.313 1.00 0.00 C ATOM 1203 CG LYS A 75 4.569 -8.264 2.364 1.00 0.00 C ATOM 1204 CD LYS A 75 5.054 -9.199 3.460 1.00 0.00 C ATOM 1205 CE LYS A 75 6.393 -9.828 3.104 1.00 0.00 C ATOM 1206 NZ LYS A 75 7.064 -10.415 4.297 1.00 0.00 N ATOM 0 H LYS A 75 1.937 -5.860 2.734 1.00 0.00 H new ATOM 0 HA LYS A 75 3.209 -7.191 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.675 -7.911 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.665 -9.203 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.954 -8.600 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.967 -7.264 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.147 -8.647 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.315 -9.983 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.242 -10.604 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.041 -9.074 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.973 -10.834 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.231 -9.670 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.457 -11.152 4.709 1.00 0.00 H new ATOM 1220 N CYS A 76 1.123 -8.078 -0.541 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.103 -8.568 -1.160 1.00 0.00 C ATOM 1222 C CYS A 76 0.067 -10.008 -1.637 1.00 0.00 C ATOM 1223 O CYS A 76 1.151 -10.583 -1.537 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.498 -7.673 -2.336 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.591 -6.288 -1.881 1.00 0.00 S ATOM 0 H CYS A 76 1.923 -8.030 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.894 -8.543 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.406 -7.273 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.995 -8.282 -3.091 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.013 -10.584 -2.155 1.00 0.00 N ATOM 1231 CA PHE A 77 -0.985 -11.956 -2.648 1.00 0.00 C ATOM 1232 C PHE A 77 0.403 -12.320 -3.167 1.00 0.00 C ATOM 1233 O PHE A 77 1.119 -13.112 -2.554 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.022 -12.144 -3.757 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.379 -12.538 -3.248 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.696 -13.871 -3.044 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.338 -11.576 -2.975 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.944 -14.238 -2.575 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.587 -11.936 -2.506 1.00 0.00 C ATOM 1240 CZ PHE A 77 -5.891 -13.269 -2.307 1.00 0.00 C ATOM 0 H PHE A 77 -1.918 -10.122 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.228 -12.618 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.110 -11.216 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.667 -12.907 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.960 -14.633 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.107 -10.533 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.178 -15.281 -2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.325 -11.176 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.867 -13.553 -1.943 1.00 0.00 H new ATOM 1250 N ASP A 78 0.776 -11.736 -4.301 1.00 0.00 N ATOM 1251 CA ASP A 78 2.078 -11.997 -4.903 1.00 0.00 C ATOM 1252 C ASP A 78 2.829 -10.694 -5.158 1.00 0.00 C ATOM 1253 O ASP A 78 4.060 -10.667 -5.172 1.00 0.00 O ATOM 1254 CB ASP A 78 1.911 -12.769 -6.213 1.00 0.00 C ATOM 1255 CG ASP A 78 1.009 -13.977 -6.062 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.218 -13.829 -6.246 1.00 0.00 O ATOM 1257 OD2 ASP A 78 1.529 -15.072 -5.761 1.00 0.00 O ATOM 0 H ASP A 78 0.195 -11.079 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 78 2.660 -12.600 -4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.499 -12.105 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.890 -13.092 -6.568 1.00 0.00 H new ATOM 1262 N LYS A 79 2.081 -9.615 -5.361 1.00 0.00 N ATOM 1263 CA LYS A 79 2.675 -8.308 -5.615 1.00 0.00 C ATOM 1264 C LYS A 79 2.996 -7.592 -4.307 1.00 0.00 C ATOM 1265 O LYS A 79 2.431 -7.908 -3.259 1.00 0.00 O ATOM 1266 CB LYS A 79 1.729 -7.451 -6.460 1.00 0.00 C ATOM 1267 CG LYS A 79 0.373 -7.225 -5.814 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.721 -7.063 -6.857 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.283 -8.409 -7.288 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.178 -8.283 -8.471 1.00 0.00 N ATOM 0 H LYS A 79 1.061 -9.620 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 79 3.605 -8.460 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.198 -6.485 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.585 -7.930 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.134 -8.066 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.412 -6.336 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.523 -6.445 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.322 -6.539 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.462 -9.086 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.835 -8.854 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.541 -9.222 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.975 -7.657 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.645 -7.882 -9.269 1.00 0.00 H new ATOM 1284 N THR A 80 3.905 -6.624 -4.375 1.00 0.00 N ATOM 1285 CA THR A 80 4.300 -5.863 -3.196 1.00 0.00 C ATOM 1286 C THR A 80 4.455 -4.382 -3.524 1.00 0.00 C ATOM 1287 O THR A 80 4.728 -4.015 -4.667 1.00 0.00 O ATOM 1288 CB THR A 80 5.623 -6.388 -2.606 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.596 -6.541 -3.645 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.410 -7.719 -1.902 1.00 0.00 C ATOM 0 H THR A 80 4.381 -6.349 -5.234 1.00 0.00 H new ATOM 0 HA THR A 80 3.507 -5.988 -2.459 1.00 0.00 H new ATOM 0 HB THR A 80 5.984 -5.663 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.434 -6.873 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.358 -8.070 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.691 -7.592 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.029 -8.451 -2.614 1.00 0.00 H new ATOM 1298 N PHE A 81 4.279 -3.536 -2.515 1.00 0.00 N ATOM 1299 CA PHE A 81 4.400 -2.094 -2.697 1.00 0.00 C ATOM 1300 C PHE A 81 5.102 -1.452 -1.504 1.00 0.00 C ATOM 1301 O PHE A 81 4.585 -1.462 -0.388 1.00 0.00 O ATOM 1302 CB PHE A 81 3.018 -1.466 -2.888 1.00 0.00 C ATOM 1303 CG PHE A 81 2.400 -1.771 -4.223 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.957 -3.050 -4.520 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.262 -0.779 -5.180 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.388 -3.334 -5.747 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.693 -1.057 -6.409 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.257 -2.337 -6.693 1.00 0.00 C ATOM 0 H PHE A 81 4.052 -3.824 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 81 5.000 -1.914 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.354 -1.821 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.100 -0.385 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.058 -3.834 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.603 0.223 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.046 -4.335 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.589 -0.275 -7.146 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.815 -2.557 -7.653 1.00 0.00 H new ATOM 1318 N GLU A 82 6.284 -0.895 -1.750 1.00 0.00 N ATOM 1319 CA GLU A 82 7.058 -0.250 -0.696 1.00 0.00 C ATOM 1320 C GLU A 82 6.918 1.268 -0.770 1.00 0.00 C ATOM 1321 O GLU A 82 7.220 1.880 -1.794 1.00 0.00 O ATOM 1322 CB GLU A 82 8.533 -0.643 -0.802 1.00 0.00 C ATOM 1323 CG GLU A 82 9.296 -0.503 0.504 1.00 0.00 C ATOM 1324 CD GLU A 82 8.834 0.686 1.325 1.00 0.00 C ATOM 1325 OE1 GLU A 82 8.874 1.819 0.802 1.00 0.00 O ATOM 1326 OE2 GLU A 82 8.433 0.481 2.490 1.00 0.00 O ATOM 0 H GLU A 82 6.726 -0.878 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 82 6.668 -0.587 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.601 -1.676 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.012 -0.024 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.175 -1.414 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.360 -0.401 0.290 1.00 0.00 H new ATOM 1333 N ILE A 83 6.458 1.867 0.323 1.00 0.00 N ATOM 1334 CA ILE A 83 6.278 3.312 0.383 1.00 0.00 C ATOM 1335 C ILE A 83 6.940 3.897 1.626 1.00 0.00 C ATOM 1336 O ILE A 83 6.905 3.298 2.701 1.00 0.00 O ATOM 1337 CB ILE A 83 4.787 3.695 0.381 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.067 3.022 -0.790 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.627 5.206 0.309 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.611 2.722 -0.512 1.00 0.00 C ATOM 0 H ILE A 83 6.203 1.374 1.179 1.00 0.00 H new ATOM 0 HA ILE A 83 6.752 3.726 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 83 4.337 3.346 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.136 3.666 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.581 2.093 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.567 5.460 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.110 5.665 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.090 5.578 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.165 2.246 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.535 2.053 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.083 3.651 -0.296 1.00 0.00 H new ATOM 1352 N SER A 84 7.541 5.073 1.473 1.00 0.00 N ATOM 1353 CA SER A 84 8.212 5.739 2.583 1.00 0.00 C ATOM 1354 C SER A 84 7.424 6.963 3.039 1.00 0.00 C ATOM 1355 O SER A 84 7.056 7.815 2.230 1.00 0.00 O ATOM 1356 CB SER A 84 9.628 6.153 2.176 1.00 0.00 C ATOM 1357 OG SER A 84 10.300 6.792 3.247 1.00 0.00 O ATOM 0 H SER A 84 7.577 5.584 0.591 1.00 0.00 H new ATOM 0 HA SER A 84 8.271 5.036 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.191 5.274 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.582 6.825 1.319 1.00 0.00 H new ATOM 0 HG SER A 84 11.048 7.318 2.896 1.00 0.00 H new ATOM 1363 N ALA A 85 7.168 7.043 4.340 1.00 0.00 N ATOM 1364 CA ALA A 85 6.425 8.162 4.906 1.00 0.00 C ATOM 1365 C ALA A 85 7.349 9.336 5.210 1.00 0.00 C ATOM 1366 O ALA A 85 8.560 9.166 5.349 1.00 0.00 O ATOM 1367 CB ALA A 85 5.690 7.726 6.165 1.00 0.00 C ATOM 0 H ALA A 85 7.464 6.346 5.023 1.00 0.00 H new ATOM 0 HA ALA A 85 5.693 8.491 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.140 8.572 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.993 6.924 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.410 7.369 6.901 1.00 0.00 H new ATOM 1373 N SER A 86 6.770 10.528 5.312 1.00 0.00 N ATOM 1374 CA SER A 86 7.543 11.732 5.596 1.00 0.00 C ATOM 1375 C SER A 86 7.769 11.891 7.096 1.00 0.00 C ATOM 1376 O SER A 86 8.894 12.107 7.546 1.00 0.00 O ATOM 1377 CB SER A 86 6.827 12.965 5.042 1.00 0.00 C ATOM 1378 OG SER A 86 5.528 13.092 5.596 1.00 0.00 O ATOM 0 H SER A 86 5.768 10.686 5.202 1.00 0.00 H new ATOM 0 HA SER A 86 8.513 11.635 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.410 13.859 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.757 12.892 3.957 1.00 0.00 H new ATOM 0 HG SER A 86 5.573 13.624 6.418 1.00 0.00 H new ATOM 1384 N ASP A 87 6.691 11.784 7.865 1.00 0.00 N ATOM 1385 CA ASP A 87 6.770 11.915 9.315 1.00 0.00 C ATOM 1386 C ASP A 87 5.985 10.804 10.005 1.00 0.00 C ATOM 1387 O ASP A 87 5.195 10.102 9.373 1.00 0.00 O ATOM 1388 CB ASP A 87 6.238 13.280 9.755 1.00 0.00 C ATOM 1389 CG ASP A 87 6.795 14.415 8.918 1.00 0.00 C ATOM 1390 OD1 ASP A 87 6.279 14.638 7.803 1.00 0.00 O ATOM 1391 OD2 ASP A 87 7.747 15.081 9.378 1.00 0.00 O ATOM 0 H ASP A 87 5.752 11.607 7.508 1.00 0.00 H new ATOM 0 HA ASP A 87 7.817 11.830 9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.150 13.282 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.492 13.446 10.802 1.00 0.00 H new ATOM 1396 N LYS A 88 6.208 10.648 11.305 1.00 0.00 N ATOM 1397 CA LYS A 88 5.522 9.623 12.083 1.00 0.00 C ATOM 1398 C LYS A 88 4.011 9.714 11.891 1.00 0.00 C ATOM 1399 O LYS A 88 3.330 8.698 11.750 1.00 0.00 O ATOM 1400 CB LYS A 88 5.868 9.761 13.567 1.00 0.00 C ATOM 1401 CG LYS A 88 5.338 8.625 14.424 1.00 0.00 C ATOM 1402 CD LYS A 88 3.951 8.935 14.964 1.00 0.00 C ATOM 1403 CE LYS A 88 3.125 7.669 15.135 1.00 0.00 C ATOM 1404 NZ LYS A 88 3.291 7.077 16.491 1.00 0.00 N ATOM 0 H LYS A 88 6.860 11.219 11.843 1.00 0.00 H new ATOM 0 HA LYS A 88 5.858 8.649 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.951 9.812 13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.466 10.703 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.304 7.709 13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.021 8.445 15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.038 9.446 15.923 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.439 9.616 14.285 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.073 7.896 14.964 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.420 6.939 14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.712 6.216 16.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.291 6.836 16.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.986 7.764 17.210 1.00 0.00 H new ATOM 1418 N LYS A 89 3.493 10.938 11.886 1.00 0.00 N ATOM 1419 CA LYS A 89 2.064 11.163 11.709 1.00 0.00 C ATOM 1420 C LYS A 89 1.544 10.422 10.481 1.00 0.00 C ATOM 1421 O LYS A 89 0.663 9.568 10.585 1.00 0.00 O ATOM 1422 CB LYS A 89 1.775 12.660 11.575 1.00 0.00 C ATOM 1423 CG LYS A 89 0.400 13.062 12.078 1.00 0.00 C ATOM 1424 CD LYS A 89 0.139 14.544 11.864 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.350 14.838 11.763 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.650 16.275 12.015 1.00 0.00 N ATOM 0 H LYS A 89 4.042 11.789 12.003 1.00 0.00 H new ATOM 0 HA LYS A 89 1.549 10.777 12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.532 13.218 12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.867 12.947 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.362 12.479 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.316 12.826 13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.568 15.113 12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.639 14.875 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.709 14.561 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.891 14.223 12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.675 16.435 11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.331 16.534 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.154 16.861 11.314 1.00 0.00 H new ATOM 1440 N LYS A 90 2.095 10.753 9.319 1.00 0.00 N ATOM 1441 CA LYS A 90 1.690 10.117 8.071 1.00 0.00 C ATOM 1442 C LYS A 90 1.918 8.610 8.129 1.00 0.00 C ATOM 1443 O LYS A 90 0.976 7.824 8.020 1.00 0.00 O ATOM 1444 CB LYS A 90 2.465 10.716 6.894 1.00 0.00 C ATOM 1445 CG LYS A 90 1.766 11.898 6.245 1.00 0.00 C ATOM 1446 CD LYS A 90 1.767 13.115 7.155 1.00 0.00 C ATOM 1447 CE LYS A 90 1.582 14.402 6.366 1.00 0.00 C ATOM 1448 NZ LYS A 90 2.748 14.683 5.483 1.00 0.00 N ATOM 0 H LYS A 90 2.824 11.459 9.215 1.00 0.00 H new ATOM 0 HA LYS A 90 0.625 10.300 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.449 11.032 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.625 9.942 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.262 12.144 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.739 11.626 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.969 13.021 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.706 13.157 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.678 14.331 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.440 15.234 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.056 15.667 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.529 14.040 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.475 14.538 4.490 1.00 0.00 H new ATOM 1462 N LYS A 91 3.174 8.213 8.302 1.00 0.00 N ATOM 1463 CA LYS A 91 3.526 6.800 8.377 1.00 0.00 C ATOM 1464 C LYS A 91 2.428 6.001 9.072 1.00 0.00 C ATOM 1465 O LYS A 91 1.901 5.039 8.514 1.00 0.00 O ATOM 1466 CB LYS A 91 4.850 6.622 9.124 1.00 0.00 C ATOM 1467 CG LYS A 91 5.314 5.178 9.206 1.00 0.00 C ATOM 1468 CD LYS A 91 4.456 4.370 10.165 1.00 0.00 C ATOM 1469 CE LYS A 91 5.211 3.167 10.710 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.634 2.687 11.996 1.00 0.00 N ATOM 0 H LYS A 91 3.965 8.850 8.393 1.00 0.00 H new ATOM 0 HA LYS A 91 3.636 6.425 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.619 7.214 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.744 7.018 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.277 4.726 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.354 5.147 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.136 5.005 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.554 4.034 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.187 2.360 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.258 3.432 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.176 1.867 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.680 3.448 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.642 2.410 11.850 1.00 0.00 H new ATOM 1484 N GLN A 92 2.087 6.408 10.290 1.00 0.00 N ATOM 1485 CA GLN A 92 1.050 5.730 11.059 1.00 0.00 C ATOM 1486 C GLN A 92 -0.325 5.960 10.441 1.00 0.00 C ATOM 1487 O GLN A 92 -0.963 5.025 9.960 1.00 0.00 O ATOM 1488 CB GLN A 92 1.058 6.220 12.509 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.100 5.688 13.337 1.00 0.00 C ATOM 1490 CD GLN A 92 0.093 4.242 13.751 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.229 3.356 12.907 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.107 3.997 15.056 1.00 0.00 N ATOM 0 H GLN A 92 2.513 7.203 10.766 1.00 0.00 H new ATOM 0 HA GLN A 92 1.262 4.661 11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.996 5.924 12.979 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.028 7.310 12.516 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.217 6.304 14.228 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.023 5.778 12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.009 4.763 15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.234 3.043 15.395 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.774 7.211 10.457 1.00 0.00 N ATOM 1502 CA GLU A 93 -2.074 7.563 9.898 1.00 0.00 C ATOM 1503 C GLU A 93 -2.327 6.811 8.594 1.00 0.00 C ATOM 1504 O GLU A 93 -3.474 6.574 8.214 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.159 9.071 9.654 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.377 9.881 10.922 1.00 0.00 C ATOM 1507 CD GLU A 93 -2.401 11.374 10.663 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -1.724 11.824 9.714 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.098 12.094 11.409 1.00 0.00 O ATOM 0 H GLU A 93 -0.257 7.997 10.851 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.840 7.276 10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.240 9.405 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.974 9.273 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.318 9.581 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.585 9.652 11.635 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.248 6.440 7.913 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.353 5.716 6.652 1.00 0.00 C ATOM 1518 C TRP A 94 -1.607 4.233 6.895 1.00 0.00 C ATOM 1519 O TRP A 94 -2.606 3.681 6.433 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.077 5.900 5.828 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.140 7.065 4.887 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.389 8.308 5.086 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.768 7.095 3.601 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.127 9.109 4.001 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.581 8.388 3.076 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.469 6.154 2.841 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.071 8.763 1.827 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -1.955 6.528 1.602 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.754 7.822 1.105 1.00 0.00 C ATOM 0 H TRP A 94 -0.292 6.629 8.213 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.198 6.123 6.097 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.767 6.034 6.504 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.113 4.991 5.257 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.933 8.616 5.967 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.413 10.083 3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.628 5.153 3.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.917 9.760 1.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.499 5.810 1.007 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.146 8.082 0.133 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.697 3.592 7.621 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.825 2.173 7.926 1.00 0.00 C ATOM 1542 C ILE A 95 -2.162 1.872 8.595 1.00 0.00 C ATOM 1543 O ILE A 95 -2.826 0.891 8.263 1.00 0.00 O ATOM 1544 CB ILE A 95 0.315 1.689 8.841 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.664 1.838 8.135 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.085 0.243 9.255 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.828 1.296 8.935 1.00 0.00 C ATOM 0 H ILE A 95 0.137 4.033 8.009 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.769 1.640 6.977 1.00 0.00 H new ATOM 0 HB ILE A 95 0.326 2.306 9.739 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.622 1.322 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.839 2.893 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.899 -0.084 9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.860 0.164 9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.050 -0.389 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.752 1.435 8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.897 1.828 9.884 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.676 0.234 9.125 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.550 2.725 9.538 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.809 2.551 10.252 1.00 0.00 C ATOM 1561 C GLN A 96 -4.995 2.648 9.298 1.00 0.00 C ATOM 1562 O GLN A 96 -5.962 1.897 9.416 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.941 3.599 11.358 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.343 3.162 12.686 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.297 2.315 13.504 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.777 1.279 13.043 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.575 2.750 14.727 1.00 0.00 N ATOM 0 H GLN A 96 -2.011 3.542 9.825 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.809 1.558 10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.454 4.519 11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.996 3.831 11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.429 2.597 12.501 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.061 4.044 13.261 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.155 3.614 15.069 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.209 2.220 15.325 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.913 3.579 8.354 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.979 3.774 7.378 1.00 0.00 C ATOM 1578 C ALA A 97 -6.077 2.585 6.428 1.00 0.00 C ATOM 1579 O ALA A 97 -7.156 2.028 6.226 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.750 5.059 6.597 1.00 0.00 C ATOM 0 H ALA A 97 -4.120 4.210 8.244 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.923 3.853 7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.553 5.192 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.737 5.905 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.795 5.002 6.074 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.945 2.202 5.847 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.905 1.080 4.919 1.00 0.00 C ATOM 1588 C ILE A 98 -5.363 -0.209 5.594 1.00 0.00 C ATOM 1589 O ILE A 98 -6.280 -0.880 5.119 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.490 0.871 4.348 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.961 2.176 3.748 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.497 -0.234 3.303 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.455 2.211 3.609 1.00 0.00 C ATOM 0 H ILE A 98 -4.043 2.653 6.003 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.586 1.322 4.103 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.828 0.571 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.412 2.324 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.279 3.010 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.490 -0.369 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.836 -1.164 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.170 0.038 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.152 3.165 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.996 2.095 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.131 1.399 2.958 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.720 -0.548 6.707 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.062 -1.756 7.450 1.00 0.00 C ATOM 1607 C HIS A 99 -6.571 -1.856 7.657 1.00 0.00 C ATOM 1608 O HIS A 99 -7.190 -2.860 7.303 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.349 -1.767 8.802 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.101 -3.144 9.337 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -3.090 -3.435 10.227 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.743 -4.313 9.103 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.118 -4.724 10.517 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.112 -5.280 9.848 1.00 0.00 N ATOM 0 H HIS A 99 -3.960 -0.004 7.114 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.734 -2.617 6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.396 -1.247 8.705 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.946 -1.208 9.523 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.593 -4.458 8.452 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.443 -5.236 11.187 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.369 -6.267 9.879 1.00 0.00 H new ATOM 1623 N SER A 100 -7.156 -0.811 8.232 1.00 0.00 N ATOM 1624 CA SER A 100 -8.591 -0.784 8.490 1.00 0.00 C ATOM 1625 C SER A 100 -9.379 -0.971 7.197 1.00 0.00 C ATOM 1626 O SER A 100 -10.330 -1.751 7.142 1.00 0.00 O ATOM 1627 CB SER A 100 -8.986 0.536 9.155 1.00 0.00 C ATOM 1628 OG SER A 100 -8.321 0.702 10.395 1.00 0.00 O ATOM 0 H SER A 100 -6.658 0.029 8.528 1.00 0.00 H new ATOM 0 HA SER A 100 -8.830 -1.608 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.742 1.367 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.064 0.560 9.311 1.00 0.00 H new ATOM 0 HG SER A 100 -7.447 1.119 10.244 1.00 0.00 H new ATOM 1634 N THR A 101 -8.976 -0.249 6.156 1.00 0.00 N ATOM 1635 CA THR A 101 -9.643 -0.333 4.863 1.00 0.00 C ATOM 1636 C THR A 101 -9.799 -1.783 4.418 1.00 0.00 C ATOM 1637 O THR A 101 -10.844 -2.173 3.896 1.00 0.00 O ATOM 1638 CB THR A 101 -8.871 0.444 3.780 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.709 1.809 4.179 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.599 0.382 2.446 1.00 0.00 C ATOM 0 H THR A 101 -8.190 0.401 6.184 1.00 0.00 H new ATOM 0 HA THR A 101 -10.629 0.115 4.987 1.00 0.00 H new ATOM 0 HB THR A 101 -7.891 -0.018 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.891 1.899 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.035 0.938 1.697 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.694 -0.657 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.591 0.821 2.552 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.754 -2.577 4.628 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.777 -3.985 4.250 1.00 0.00 C ATOM 1650 C ILE A 102 -9.688 -4.787 5.173 1.00 0.00 C ATOM 1651 O ILE A 102 -10.475 -5.618 4.718 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.365 -4.599 4.280 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.430 -3.827 3.347 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.418 -6.068 3.890 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.963 -4.074 3.622 1.00 0.00 C ATOM 0 H ILE A 102 -7.881 -2.269 5.058 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.163 -4.032 3.232 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.975 -4.527 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.650 -4.103 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.635 -2.761 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.412 -6.488 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.055 -6.608 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.825 -6.163 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.359 -3.495 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.728 -3.771 4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.743 -5.134 3.499 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.577 -4.532 6.473 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.392 -5.230 7.462 1.00 0.00 C ATOM 1669 C HIS A 103 -11.858 -5.247 7.041 1.00 0.00 C ATOM 1670 O HIS A 103 -12.551 -6.252 7.208 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.250 -4.565 8.831 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.175 -5.125 9.867 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.528 -5.153 9.925 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.732 -5.747 11.015 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.872 -5.785 11.094 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.771 -6.135 11.733 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.931 -3.848 6.866 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.039 -6.259 7.528 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.222 -4.677 9.175 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.437 -3.496 8.728 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.697 -5.894 11.285 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.880 -5.967 11.436 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.730 -6.622 12.628 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.326 -4.130 6.494 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.710 -4.017 6.050 1.00 0.00 C ATOM 1687 C LEU A 104 -14.030 -5.067 4.991 1.00 0.00 C ATOM 1688 O LEU A 104 -15.165 -5.534 4.887 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.975 -2.617 5.493 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.551 -1.449 6.383 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.736 -0.127 5.654 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.339 -1.457 7.685 1.00 0.00 C ATOM 0 H LEU A 104 -11.767 -3.290 6.348 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.357 -4.187 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.460 -2.525 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.042 -2.524 5.290 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.493 -1.564 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.429 0.693 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.127 -0.122 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.785 -0.003 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.024 -0.619 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.403 -1.367 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.155 -2.391 8.216 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.022 -5.436 4.208 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.195 -6.434 3.157 1.00 0.00 C ATOM 1706 C LEU A 105 -13.278 -7.838 3.748 1.00 0.00 C ATOM 1707 O LEU A 105 -13.939 -8.717 3.195 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.039 -6.356 2.159 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.021 -5.130 1.246 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.658 -4.971 0.590 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.113 -5.234 0.191 1.00 0.00 C ATOM 0 H LEU A 105 -12.077 -5.060 4.281 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.130 -6.222 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.102 -6.383 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.064 -7.249 1.534 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.214 -4.246 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.665 -4.093 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.896 -4.849 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.435 -5.857 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.085 -4.353 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.952 -6.127 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.086 -5.297 0.679 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.606 -8.040 4.876 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.606 -9.336 5.545 1.00 0.00 C ATOM 1725 C LYS A 106 -14.018 -9.730 5.967 1.00 0.00 C ATOM 1726 O LYS A 106 -14.444 -10.867 5.758 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.688 -9.301 6.769 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.224 -9.538 6.438 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.316 -9.082 7.568 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.956 -8.642 7.048 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.059 -8.196 8.150 1.00 0.00 N ATOM 0 H LYS A 106 -12.054 -7.323 5.346 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.235 -10.081 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.789 -8.333 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.018 -10.057 7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.061 -10.598 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.965 -9.003 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.786 -8.257 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.188 -9.894 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.488 -9.467 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.086 -7.829 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.142 -7.904 7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.493 -7.392 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.914 -8.979 8.818 1.00 0.00 H new