USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 308 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00354 K(o=-0.0035,f=-2.6!) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00136) USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.101 (180deg=-1.07) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.398 K(o=0.4,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0178 (180deg=-0.206) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 144:sc= -0.171 (180deg=-1.19) USER MOD Single : A 30 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.023) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.123 (180deg=-0.297) USER MOD Single : A 34 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-0.095) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= -0.475 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.667 -7.508 3.589 1.00 0.00 N ATOM 2 CA GLY A 1 6.235 -7.368 3.887 1.00 0.00 C ATOM 3 C GLY A 1 5.435 -8.016 2.782 1.00 0.00 C ATOM 4 O GLY A 1 5.592 -9.214 2.606 1.00 0.00 O ATOM 0 H1 GLY A 1 8.224 -7.064 4.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.911 -8.517 3.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.880 -7.043 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.002 -7.836 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.970 -6.314 3.975 1.00 0.00 H new ATOM 10 N VAL A 2 4.594 -7.260 2.033 1.00 0.00 N ATOM 11 CA VAL A 2 3.838 -7.841 0.922 1.00 0.00 C ATOM 12 C VAL A 2 4.033 -6.904 -0.252 1.00 0.00 C ATOM 13 O VAL A 2 3.384 -5.870 -0.272 1.00 0.00 O ATOM 14 CB VAL A 2 2.344 -7.999 1.331 1.00 0.00 C ATOM 15 CG1 VAL A 2 1.483 -8.483 0.134 1.00 0.00 C ATOM 16 CG2 VAL A 2 2.199 -8.983 2.524 1.00 0.00 C ATOM 0 H VAL A 2 4.431 -6.264 2.183 1.00 0.00 H new ATOM 0 HA VAL A 2 4.182 -8.840 0.653 1.00 0.00 H new ATOM 0 HB VAL A 2 1.982 -7.018 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.445 -8.584 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.547 -7.757 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.852 -9.448 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.147 -9.077 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.590 -9.960 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.758 -8.603 3.379 1.00 0.00 H new ATOM 26 N ILE A 3 4.921 -7.224 -1.225 1.00 0.00 N ATOM 27 CA ILE A 3 5.148 -6.304 -2.341 1.00 0.00 C ATOM 28 C ILE A 3 4.008 -6.475 -3.310 1.00 0.00 C ATOM 29 O ILE A 3 3.548 -7.597 -3.464 1.00 0.00 O ATOM 30 CB ILE A 3 6.514 -6.543 -3.062 1.00 0.00 C ATOM 31 CG1 ILE A 3 7.696 -6.361 -2.059 1.00 0.00 C ATOM 32 CG2 ILE A 3 6.667 -5.608 -4.299 1.00 0.00 C ATOM 33 CD1 ILE A 3 9.083 -6.769 -2.627 1.00 0.00 C ATOM 0 H ILE A 3 5.469 -8.084 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 3 5.191 -5.287 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 3 6.536 -7.570 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.736 -5.317 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.494 -6.952 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.626 -5.796 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.861 -5.805 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.621 -4.568 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.848 -6.612 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.065 -7.821 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.311 -6.161 -3.502 1.00 0.00 H new ATOM 45 N ILE A 4 3.559 -5.381 -3.977 1.00 0.00 N ATOM 46 CA ILE A 4 2.547 -5.505 -5.026 1.00 0.00 C ATOM 47 C ILE A 4 2.938 -4.593 -6.180 1.00 0.00 C ATOM 48 O ILE A 4 3.358 -3.473 -5.933 1.00 0.00 O ATOM 49 CB ILE A 4 1.099 -5.261 -4.495 1.00 0.00 C ATOM 50 CG1 ILE A 4 1.024 -3.931 -3.686 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.615 -6.483 -3.652 1.00 0.00 C ATOM 52 CD1 ILE A 4 -0.413 -3.509 -3.278 1.00 0.00 C ATOM 0 H ILE A 4 3.881 -4.429 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 4 2.521 -6.532 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 4 0.425 -5.160 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.629 -4.033 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.469 -3.133 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.396 -6.297 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.619 -7.378 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.284 -6.628 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.373 -2.574 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.020 -3.371 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.857 -4.285 -2.655 1.00 0.00 H new ATOM 64 N ASN A 5 2.828 -5.065 -7.445 1.00 0.00 N ATOM 65 CA ASN A 5 3.365 -4.322 -8.591 1.00 0.00 C ATOM 66 C ASN A 5 2.225 -3.587 -9.256 1.00 0.00 C ATOM 67 O ASN A 5 1.903 -3.893 -10.393 1.00 0.00 O ATOM 68 CB ASN A 5 4.087 -5.312 -9.554 1.00 0.00 C ATOM 69 CG ASN A 5 5.143 -6.089 -8.798 1.00 0.00 C ATOM 70 OD1 ASN A 5 6.114 -5.482 -8.374 1.00 0.00 O ATOM 71 ND2 ASN A 5 5.003 -7.420 -8.598 1.00 0.00 N ATOM 0 H ASN A 5 2.376 -5.947 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 5 4.105 -3.585 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.363 -5.998 -9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.546 -4.763 -10.376 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.717 -7.936 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.184 -7.907 -8.961 1.00 0.00 H new ATOM 78 N VAL A 6 1.602 -2.618 -8.544 1.00 0.00 N ATOM 79 CA VAL A 6 0.432 -1.916 -9.081 1.00 0.00 C ATOM 80 C VAL A 6 0.841 -0.519 -9.488 1.00 0.00 C ATOM 81 O VAL A 6 1.703 0.042 -8.834 1.00 0.00 O ATOM 82 CB VAL A 6 -0.708 -1.922 -8.021 1.00 0.00 C ATOM 83 CG1 VAL A 6 -1.944 -1.106 -8.489 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.118 -3.389 -7.712 1.00 0.00 C ATOM 0 H VAL A 6 1.890 -2.315 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 6 0.049 -2.420 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.331 -1.444 -7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.714 -1.138 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.651 -0.071 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.336 -1.535 -9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.916 -3.395 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.468 -3.869 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.257 -3.933 -7.323 1.00 0.00 H new ATOM 94 N LYS A 7 0.253 0.063 -10.561 1.00 0.00 N ATOM 95 CA LYS A 7 0.704 1.370 -11.041 1.00 0.00 C ATOM 96 C LYS A 7 0.048 2.407 -10.153 1.00 0.00 C ATOM 97 O LYS A 7 -1.007 2.890 -10.529 1.00 0.00 O ATOM 98 CB LYS A 7 0.321 1.538 -12.541 1.00 0.00 C ATOM 99 CG LYS A 7 1.037 0.478 -13.425 1.00 0.00 C ATOM 100 CD LYS A 7 0.566 0.548 -14.903 1.00 0.00 C ATOM 101 CE LYS A 7 1.318 -0.452 -15.825 1.00 0.00 C ATOM 102 NZ LYS A 7 1.048 -1.860 -15.459 1.00 0.00 N ATOM 0 H LYS A 7 -0.515 -0.348 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 7 1.787 1.480 -10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.759 1.443 -12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.590 2.539 -12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.115 0.634 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.842 -0.518 -13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.504 0.343 -14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.712 1.561 -15.278 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.020 -0.284 -16.860 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.390 -0.262 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.556 -2.492 -16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.371 -2.034 -14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.027 -2.046 -15.523 1.00 0.00 H new ATOM 116 N CYS A 8 0.630 2.761 -8.980 1.00 0.00 N ATOM 117 CA CYS A 8 -0.064 3.697 -8.091 1.00 0.00 C ATOM 118 C CYS A 8 0.212 5.095 -8.549 1.00 0.00 C ATOM 119 O CYS A 8 1.178 5.284 -9.272 1.00 0.00 O ATOM 120 CB CYS A 8 0.421 3.715 -6.612 1.00 0.00 C ATOM 121 SG CYS A 8 1.963 4.672 -6.314 1.00 0.00 S ATOM 0 H CYS A 8 1.534 2.426 -8.648 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.102 3.368 -8.131 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.372 4.129 -5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.579 2.688 -6.284 1.00 0.00 H new ATOM 126 N LYS A 9 -0.586 6.066 -8.046 1.00 0.00 N ATOM 127 CA LYS A 9 -0.141 7.454 -8.020 1.00 0.00 C ATOM 128 C LYS A 9 -0.120 8.024 -6.619 1.00 0.00 C ATOM 129 O LYS A 9 0.725 8.879 -6.379 1.00 0.00 O ATOM 130 CB LYS A 9 -1.033 8.268 -8.989 1.00 0.00 C ATOM 131 CG LYS A 9 -0.556 9.740 -9.134 1.00 0.00 C ATOM 132 CD LYS A 9 -1.054 10.448 -10.428 1.00 0.00 C ATOM 133 CE LYS A 9 -2.596 10.613 -10.536 1.00 0.00 C ATOM 134 NZ LYS A 9 -3.317 9.368 -10.869 1.00 0.00 N ATOM 0 H LYS A 9 -1.518 5.907 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 9 0.894 7.513 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.032 7.790 -9.969 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.062 8.256 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.897 10.308 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.534 9.760 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.594 11.434 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.703 9.883 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.976 10.997 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.817 11.362 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.152 9.594 -11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.688 8.735 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.620 8.897 -9.993 1.00 0.00 H new ATOM 148 N ILE A 10 -1.014 7.600 -5.670 1.00 0.00 N ATOM 149 CA ILE A 10 -1.053 8.180 -4.322 1.00 0.00 C ATOM 150 C ILE A 10 -0.973 7.135 -3.196 1.00 0.00 C ATOM 151 O ILE A 10 -1.542 6.046 -3.228 1.00 0.00 O ATOM 152 CB ILE A 10 -2.262 9.173 -4.179 1.00 0.00 C ATOM 153 CG1 ILE A 10 -3.562 8.573 -4.793 1.00 0.00 C ATOM 154 CG2 ILE A 10 -1.929 10.558 -4.832 1.00 0.00 C ATOM 155 CD1 ILE A 10 -4.880 9.269 -4.353 1.00 0.00 C ATOM 0 H ILE A 10 -1.703 6.865 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.141 8.764 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.436 9.330 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.489 8.622 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.619 7.518 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.782 11.228 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.059 10.993 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.714 10.418 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.728 8.780 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.985 9.198 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.853 10.318 -4.646 1.00 0.00 H new ATOM 167 N SER A 11 -0.216 7.484 -2.130 1.00 0.00 N ATOM 168 CA SER A 11 -0.037 6.560 -1.011 1.00 0.00 C ATOM 169 C SER A 11 -1.385 6.299 -0.394 1.00 0.00 C ATOM 170 O SER A 11 -1.593 5.180 0.045 1.00 0.00 O ATOM 171 CB SER A 11 0.942 7.086 0.075 1.00 0.00 C ATOM 172 OG SER A 11 1.225 6.078 1.060 1.00 0.00 O ATOM 0 H SER A 11 0.265 8.378 -2.031 1.00 0.00 H new ATOM 0 HA SER A 11 0.408 5.646 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.871 7.408 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.512 7.961 0.562 1.00 0.00 H new ATOM 0 HG SER A 11 1.844 6.439 1.728 1.00 0.00 H new ATOM 178 N ARG A 12 -2.323 7.272 -0.348 1.00 0.00 N ATOM 179 CA ARG A 12 -3.637 6.978 0.226 1.00 0.00 C ATOM 180 C ARG A 12 -4.371 5.921 -0.577 1.00 0.00 C ATOM 181 O ARG A 12 -5.021 5.092 0.039 1.00 0.00 O ATOM 182 CB ARG A 12 -4.494 8.277 0.306 1.00 0.00 C ATOM 183 CG ARG A 12 -5.912 8.096 0.925 1.00 0.00 C ATOM 184 CD ARG A 12 -5.893 7.648 2.413 1.00 0.00 C ATOM 185 NE ARG A 12 -7.257 7.512 2.930 1.00 0.00 N ATOM 186 CZ ARG A 12 -7.989 8.512 3.362 1.00 0.00 C ATOM 187 NH1 ARG A 12 -7.620 9.771 3.375 1.00 0.00 N ATOM 188 NH2 ARG A 12 -9.173 8.182 3.806 1.00 0.00 N ATOM 0 H ARG A 12 -2.196 8.225 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.480 6.588 1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.950 9.017 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.603 8.685 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.456 9.037 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.462 7.359 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.367 6.698 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.343 8.376 3.010 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.665 6.578 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.697 10.036 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.256 10.485 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.466 7.205 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.804 8.901 4.160 1.00 0.00 H new ATOM 202 N GLN A 13 -4.309 5.903 -1.930 1.00 0.00 N ATOM 203 CA GLN A 13 -5.105 4.923 -2.675 1.00 0.00 C ATOM 204 C GLN A 13 -4.579 3.521 -2.480 1.00 0.00 C ATOM 205 O GLN A 13 -5.394 2.620 -2.601 1.00 0.00 O ATOM 206 CB GLN A 13 -5.306 5.147 -4.204 1.00 0.00 C ATOM 207 CG GLN A 13 -4.107 4.660 -5.072 1.00 0.00 C ATOM 208 CD GLN A 13 -4.239 5.093 -6.511 1.00 0.00 C ATOM 209 OE1 GLN A 13 -3.454 5.923 -6.947 1.00 0.00 O ATOM 210 NE2 GLN A 13 -5.211 4.554 -7.274 1.00 0.00 N ATOM 0 H GLN A 13 -3.740 6.530 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.089 5.073 -2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.209 4.626 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.469 6.209 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.178 5.052 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.043 3.573 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.848 3.864 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.309 4.836 -8.249 1.00 0.00 H new ATOM 219 N CYS A 14 -3.269 3.303 -2.210 1.00 0.00 N ATOM 220 CA CYS A 14 -2.859 1.946 -1.806 1.00 0.00 C ATOM 221 C CYS A 14 -3.054 1.670 -0.326 1.00 0.00 C ATOM 222 O CYS A 14 -3.065 0.512 0.068 1.00 0.00 O ATOM 223 CB CYS A 14 -1.383 1.647 -2.122 1.00 0.00 C ATOM 224 SG CYS A 14 -1.090 1.651 -3.908 1.00 0.00 S ATOM 0 H CYS A 14 -2.526 4.000 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.513 1.301 -2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.747 2.392 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.107 0.678 -1.707 1.00 0.00 H new ATOM 229 N LEU A 15 -3.193 2.706 0.534 1.00 0.00 N ATOM 230 CA LEU A 15 -3.434 2.480 1.952 1.00 0.00 C ATOM 231 C LEU A 15 -4.809 1.869 2.103 1.00 0.00 C ATOM 232 O LEU A 15 -4.936 0.992 2.943 1.00 0.00 O ATOM 233 CB LEU A 15 -3.254 3.812 2.733 1.00 0.00 C ATOM 234 CG LEU A 15 -3.672 3.782 4.227 1.00 0.00 C ATOM 235 CD1 LEU A 15 -2.974 2.651 5.034 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.361 5.154 4.891 1.00 0.00 C ATOM 0 H LEU A 15 -3.141 3.688 0.262 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.713 1.782 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.206 4.106 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.832 4.587 2.229 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.743 3.579 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.309 2.684 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.230 1.684 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.894 2.791 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.657 5.126 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.293 5.358 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.915 5.940 4.378 1.00 0.00 H new ATOM 248 N GLU A 16 -5.856 2.255 1.334 1.00 0.00 N ATOM 249 CA GLU A 16 -7.156 1.595 1.523 1.00 0.00 C ATOM 250 C GLU A 16 -7.045 0.077 1.423 1.00 0.00 C ATOM 251 O GLU A 16 -7.326 -0.556 2.429 1.00 0.00 O ATOM 252 CB GLU A 16 -8.342 2.116 0.654 1.00 0.00 C ATOM 253 CG GLU A 16 -8.870 3.518 1.075 1.00 0.00 C ATOM 254 CD GLU A 16 -7.814 4.581 0.927 1.00 0.00 C ATOM 255 OE1 GLU A 16 -7.024 4.765 1.892 1.00 0.00 O ATOM 256 OE2 GLU A 16 -7.766 5.235 -0.150 1.00 0.00 O ATOM 0 H GLU A 16 -5.827 2.980 0.617 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.422 1.882 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.024 2.157 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.161 1.399 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.736 3.778 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.208 3.483 2.111 1.00 0.00 H new ATOM 263 N PRO A 17 -6.664 -0.598 0.307 1.00 0.00 N ATOM 264 CA PRO A 17 -6.674 -2.057 0.301 1.00 0.00 C ATOM 265 C PRO A 17 -5.664 -2.641 1.264 1.00 0.00 C ATOM 266 O PRO A 17 -5.925 -3.716 1.781 1.00 0.00 O ATOM 267 CB PRO A 17 -6.336 -2.350 -1.183 1.00 0.00 C ATOM 268 CG PRO A 17 -5.540 -1.107 -1.643 1.00 0.00 C ATOM 269 CD PRO A 17 -6.264 0.059 -0.925 1.00 0.00 C ATOM 0 HA PRO A 17 -7.611 -2.503 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.746 -3.261 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.239 -2.487 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.491 -1.170 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.565 -0.991 -2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.605 0.909 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.117 0.430 -1.493 1.00 0.00 H new ATOM 277 N CYS A 18 -4.518 -1.973 1.538 1.00 0.00 N ATOM 278 CA CYS A 18 -3.569 -2.544 2.493 1.00 0.00 C ATOM 279 C CYS A 18 -4.254 -2.684 3.840 1.00 0.00 C ATOM 280 O CYS A 18 -4.188 -3.739 4.456 1.00 0.00 O ATOM 281 CB CYS A 18 -2.288 -1.676 2.641 1.00 0.00 C ATOM 282 SG CYS A 18 -1.238 -1.495 1.152 1.00 0.00 S ATOM 0 H CYS A 18 -4.246 -1.080 1.127 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.255 -3.518 2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.588 -0.681 2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.678 -2.103 3.437 1.00 0.00 H new ATOM 287 N LYS A 19 -4.931 -1.638 4.363 1.00 0.00 N ATOM 288 CA LYS A 19 -5.583 -1.774 5.665 1.00 0.00 C ATOM 289 C LYS A 19 -6.662 -2.829 5.558 1.00 0.00 C ATOM 290 O LYS A 19 -6.744 -3.693 6.417 1.00 0.00 O ATOM 291 CB LYS A 19 -6.210 -0.442 6.167 1.00 0.00 C ATOM 292 CG LYS A 19 -6.691 -0.571 7.640 1.00 0.00 C ATOM 293 CD LYS A 19 -7.397 0.719 8.137 1.00 0.00 C ATOM 294 CE LYS A 19 -7.734 0.625 9.650 1.00 0.00 C ATOM 295 NZ LYS A 19 -8.538 -0.578 9.946 1.00 0.00 N ATOM 0 H LYS A 19 -5.034 -0.727 3.917 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.821 -2.060 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.477 0.361 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.051 -0.169 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.376 -1.415 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.837 -0.787 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.755 1.581 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.312 0.879 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.811 0.600 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.281 1.516 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.890 -0.528 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.343 -0.627 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.947 -1.427 9.833 1.00 0.00 H new ATOM 309 N LYS A 20 -7.496 -2.752 4.494 1.00 0.00 N ATOM 310 CA LYS A 20 -8.634 -3.662 4.359 1.00 0.00 C ATOM 311 C LYS A 20 -8.210 -5.099 4.565 1.00 0.00 C ATOM 312 O LYS A 20 -8.887 -5.813 5.287 1.00 0.00 O ATOM 313 CB LYS A 20 -9.288 -3.501 2.957 1.00 0.00 C ATOM 314 CG LYS A 20 -10.636 -4.256 2.793 1.00 0.00 C ATOM 315 CD LYS A 20 -11.253 -3.953 1.397 1.00 0.00 C ATOM 316 CE LYS A 20 -12.649 -4.599 1.188 1.00 0.00 C ATOM 317 NZ LYS A 20 -12.606 -6.075 1.160 1.00 0.00 N ATOM 0 H LYS A 20 -7.397 -2.078 3.735 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.363 -3.405 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.452 -2.441 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.590 -3.858 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.477 -5.329 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.329 -3.954 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.338 -2.874 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.575 -4.312 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.316 -4.276 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.074 -4.236 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.566 -6.448 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.994 -6.390 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.228 -6.428 2.062 1.00 0.00 H new ATOM 331 N ALA A 21 -7.093 -5.542 3.942 1.00 0.00 N ATOM 332 CA ALA A 21 -6.670 -6.931 4.109 1.00 0.00 C ATOM 333 C ALA A 21 -6.210 -7.149 5.535 1.00 0.00 C ATOM 334 O ALA A 21 -6.816 -7.946 6.235 1.00 0.00 O ATOM 335 CB ALA A 21 -5.567 -7.332 3.092 1.00 0.00 C ATOM 0 H ALA A 21 -6.495 -4.974 3.343 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.524 -7.577 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.284 -8.372 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.947 -7.213 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.695 -6.693 3.230 1.00 0.00 H new ATOM 341 N GLY A 22 -5.145 -6.447 5.987 1.00 0.00 N ATOM 342 CA GLY A 22 -4.688 -6.601 7.371 1.00 0.00 C ATOM 343 C GLY A 22 -3.303 -6.037 7.621 1.00 0.00 C ATOM 344 O GLY A 22 -2.466 -6.720 8.196 1.00 0.00 O ATOM 0 H GLY A 22 -4.605 -5.789 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.397 -6.108 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.692 -7.660 7.630 1.00 0.00 H new ATOM 348 N MET A 23 -3.057 -4.774 7.199 1.00 0.00 N ATOM 349 CA MET A 23 -1.747 -4.156 7.375 1.00 0.00 C ATOM 350 C MET A 23 -1.782 -3.117 8.464 1.00 0.00 C ATOM 351 O MET A 23 -2.826 -2.518 8.665 1.00 0.00 O ATOM 352 CB MET A 23 -1.287 -3.428 6.088 1.00 0.00 C ATOM 353 CG MET A 23 -0.763 -4.408 5.012 1.00 0.00 C ATOM 354 SD MET A 23 -2.036 -5.564 4.418 1.00 0.00 S ATOM 355 CE MET A 23 -1.058 -7.060 4.073 1.00 0.00 C ATOM 0 H MET A 23 -3.748 -4.179 6.741 1.00 0.00 H new ATOM 0 HA MET A 23 -1.061 -4.965 7.626 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.120 -2.856 5.680 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.502 -2.714 6.338 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.376 -3.838 4.167 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.072 -4.976 5.422 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.715 -7.847 3.702 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.302 -6.835 3.321 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.571 -7.395 4.989 1.00 0.00 H new ATOM 365 N ARG A 24 -0.629 -2.883 9.135 1.00 0.00 N ATOM 366 CA ARG A 24 -0.530 -1.764 10.057 1.00 0.00 C ATOM 367 C ARG A 24 -0.082 -0.542 9.286 1.00 0.00 C ATOM 368 O ARG A 24 -0.440 0.536 9.737 1.00 0.00 O ATOM 369 CB ARG A 24 0.436 -2.103 11.220 1.00 0.00 C ATOM 370 CG ARG A 24 0.403 -1.041 12.354 1.00 0.00 C ATOM 371 CD ARG A 24 1.240 -1.480 13.588 1.00 0.00 C ATOM 372 NE ARG A 24 0.837 -0.716 14.771 1.00 0.00 N ATOM 373 CZ ARG A 24 -0.227 -0.988 15.493 1.00 0.00 C ATOM 374 NH1 ARG A 24 -1.092 -1.944 15.245 1.00 0.00 N ATOM 375 NH2 ARG A 24 -0.405 -0.219 16.535 1.00 0.00 N ATOM 0 H ARG A 24 0.216 -3.447 9.048 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.502 -1.558 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.174 -3.077 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.451 -2.183 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.786 -0.094 11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.629 -0.868 12.659 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.101 -2.546 13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.301 -1.326 13.391 1.00 0.00 H new ATOM 0 HE ARG A 24 1.417 0.075 15.051 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.965 -2.549 14.434 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.891 -2.082 15.863 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.259 0.528 16.737 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.208 -0.366 17.146 1.00 0.00 H new ATOM 389 N PHE A 25 0.665 -0.655 8.149 1.00 0.00 N ATOM 390 CA PHE A 25 1.005 0.555 7.389 1.00 0.00 C ATOM 391 C PHE A 25 0.868 0.357 5.896 1.00 0.00 C ATOM 392 O PHE A 25 0.823 -0.779 5.451 1.00 0.00 O ATOM 393 CB PHE A 25 2.440 1.045 7.708 1.00 0.00 C ATOM 394 CG PHE A 25 2.633 1.173 9.223 1.00 0.00 C ATOM 395 CD1 PHE A 25 2.166 2.310 9.894 1.00 0.00 C ATOM 396 CD2 PHE A 25 3.280 0.164 9.942 1.00 0.00 C ATOM 397 CE1 PHE A 25 2.379 2.454 11.267 1.00 0.00 C ATOM 398 CE2 PHE A 25 3.526 0.325 11.311 1.00 0.00 C ATOM 399 CZ PHE A 25 3.067 1.463 11.975 1.00 0.00 C ATOM 0 H PHE A 25 1.021 -1.530 7.765 1.00 0.00 H new ATOM 0 HA PHE A 25 0.288 1.313 7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.170 0.346 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.618 2.008 7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.639 3.078 9.348 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.591 -0.741 9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.013 3.330 11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.072 -0.433 11.854 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.243 1.579 13.034 1.00 0.00 H new ATOM 409 N GLY A 26 0.810 1.465 5.115 1.00 0.00 N ATOM 410 CA GLY A 26 0.681 1.367 3.662 1.00 0.00 C ATOM 411 C GLY A 26 1.490 2.473 3.023 1.00 0.00 C ATOM 412 O GLY A 26 1.221 3.620 3.344 1.00 0.00 O ATOM 0 H GLY A 26 0.851 2.419 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.033 0.395 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.366 1.449 3.370 1.00 0.00 H new ATOM 416 N LYS A 27 2.473 2.155 2.144 1.00 0.00 N ATOM 417 CA LYS A 27 3.334 3.183 1.549 1.00 0.00 C ATOM 418 C LYS A 27 3.345 2.945 0.056 1.00 0.00 C ATOM 419 O LYS A 27 3.439 1.781 -0.301 1.00 0.00 O ATOM 420 CB LYS A 27 4.760 3.006 2.151 1.00 0.00 C ATOM 421 CG LYS A 27 5.890 3.877 1.524 1.00 0.00 C ATOM 422 CD LYS A 27 6.117 5.267 2.188 1.00 0.00 C ATOM 423 CE LYS A 27 4.918 6.242 2.069 1.00 0.00 C ATOM 424 NZ LYS A 27 5.339 7.617 2.407 1.00 0.00 N ATOM 0 H LYS A 27 2.680 1.204 1.840 1.00 0.00 H new ATOM 0 HA LYS A 27 2.984 4.195 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.710 3.227 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.044 1.958 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.824 3.316 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.662 4.031 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.344 5.118 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.993 5.732 1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.519 6.216 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.116 5.926 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.526 8.260 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.699 7.640 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.089 7.921 1.754 1.00 0.00 H new ATOM 438 N CYS A 28 3.264 3.991 -0.812 1.00 0.00 N ATOM 439 CA CYS A 28 3.532 3.807 -2.239 1.00 0.00 C ATOM 440 C CYS A 28 4.833 4.513 -2.528 1.00 0.00 C ATOM 441 O CYS A 28 5.045 5.569 -1.953 1.00 0.00 O ATOM 442 CB CYS A 28 2.496 4.341 -3.270 1.00 0.00 C ATOM 443 SG CYS A 28 2.968 3.623 -4.897 1.00 0.00 S ATOM 0 H CYS A 28 3.020 4.944 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 28 3.516 2.726 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.484 4.045 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.510 5.430 -3.307 1.00 0.00 H new ATOM 448 N MET A 29 5.674 3.948 -3.422 1.00 0.00 N ATOM 449 CA MET A 29 6.842 4.658 -3.918 1.00 0.00 C ATOM 450 C MET A 29 6.530 4.884 -5.378 1.00 0.00 C ATOM 451 O MET A 29 6.082 3.926 -5.985 1.00 0.00 O ATOM 452 CB MET A 29 8.107 3.783 -3.746 1.00 0.00 C ATOM 453 CG MET A 29 8.424 3.464 -2.257 1.00 0.00 C ATOM 454 SD MET A 29 9.588 4.647 -1.488 1.00 0.00 S ATOM 455 CE MET A 29 8.632 6.174 -1.239 1.00 0.00 C ATOM 0 H MET A 29 5.555 3.010 -3.804 1.00 0.00 H new ATOM 0 HA MET A 29 7.040 5.589 -3.388 1.00 0.00 H new ATOM 0 HB2 MET A 29 7.974 2.849 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 29 8.960 4.294 -4.192 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.494 3.460 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 29 8.842 2.460 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.944 6.652 -0.310 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.807 6.853 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.570 5.934 -1.184 1.00 0.00 H new ATOM 465 N ASN A 30 6.733 6.110 -5.919 1.00 0.00 N ATOM 466 CA ASN A 30 6.226 6.440 -7.250 1.00 0.00 C ATOM 467 C ASN A 30 6.408 5.284 -8.209 1.00 0.00 C ATOM 468 O ASN A 30 7.477 5.165 -8.786 1.00 0.00 O ATOM 469 CB ASN A 30 6.906 7.728 -7.787 1.00 0.00 C ATOM 470 CG ASN A 30 6.351 8.093 -9.144 1.00 0.00 C ATOM 471 OD1 ASN A 30 5.459 8.925 -9.212 1.00 0.00 O ATOM 472 ND2 ASN A 30 6.850 7.485 -10.243 1.00 0.00 N ATOM 0 H ASN A 30 7.236 6.866 -5.455 1.00 0.00 H new ATOM 0 HA ASN A 30 5.156 6.629 -7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.745 8.549 -7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.983 7.576 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.482 7.717 -11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.595 6.795 -10.150 1.00 0.00 H new ATOM 479 N GLY A 31 5.376 4.421 -8.376 1.00 0.00 N ATOM 480 CA GLY A 31 5.503 3.266 -9.255 1.00 0.00 C ATOM 481 C GLY A 31 4.751 2.095 -8.667 1.00 0.00 C ATOM 482 O GLY A 31 3.723 1.733 -9.220 1.00 0.00 O ATOM 0 H GLY A 31 4.470 4.512 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.110 3.504 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.554 3.008 -9.384 1.00 0.00 H new ATOM 486 N LYS A 32 5.250 1.506 -7.551 1.00 0.00 N ATOM 487 CA LYS A 32 4.660 0.279 -7.009 1.00 0.00 C ATOM 488 C LYS A 32 4.276 0.450 -5.566 1.00 0.00 C ATOM 489 O LYS A 32 4.787 1.372 -4.949 1.00 0.00 O ATOM 490 CB LYS A 32 5.669 -0.890 -7.136 1.00 0.00 C ATOM 491 CG LYS A 32 5.982 -1.163 -8.632 1.00 0.00 C ATOM 492 CD LYS A 32 6.978 -2.341 -8.838 1.00 0.00 C ATOM 493 CE LYS A 32 8.469 -1.908 -8.896 1.00 0.00 C ATOM 494 NZ LYS A 32 8.901 -1.198 -7.674 1.00 0.00 N ATOM 0 H LYS A 32 6.047 1.862 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 32 3.760 0.057 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.588 -0.647 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.259 -1.787 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.053 -1.383 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.397 -0.261 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.850 -3.057 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.725 -2.859 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.094 -2.789 -9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.623 -1.263 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.936 -1.096 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.460 -0.256 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.611 -1.741 -6.836 1.00 0.00 H new ATOM 508 N CYS A 33 3.385 -0.429 -5.038 1.00 0.00 N ATOM 509 CA CYS A 33 2.903 -0.275 -3.670 1.00 0.00 C ATOM 510 C CYS A 33 3.442 -1.346 -2.759 1.00 0.00 C ATOM 511 O CYS A 33 3.815 -2.412 -3.223 1.00 0.00 O ATOM 512 CB CYS A 33 1.355 -0.166 -3.591 1.00 0.00 C ATOM 513 SG CYS A 33 0.931 1.554 -3.979 1.00 0.00 S ATOM 0 H CYS A 33 3.002 -1.231 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 33 3.295 0.676 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.883 -0.849 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.998 -0.437 -2.597 1.00 0.00 H new ATOM 518 N HIS A 34 3.484 -1.022 -1.443 1.00 0.00 N ATOM 519 CA HIS A 34 4.038 -1.925 -0.443 1.00 0.00 C ATOM 520 C HIS A 34 2.989 -2.004 0.644 1.00 0.00 C ATOM 521 O HIS A 34 2.648 -0.965 1.187 1.00 0.00 O ATOM 522 CB HIS A 34 5.383 -1.312 0.026 1.00 0.00 C ATOM 523 CG HIS A 34 6.339 -1.378 -1.141 1.00 0.00 C ATOM 524 ND1 HIS A 34 7.207 -2.352 -1.296 1.00 0.00 N ATOM 525 CD2 HIS A 34 6.442 -0.503 -2.164 1.00 0.00 C ATOM 526 CE1 HIS A 34 7.884 -2.166 -2.384 1.00 0.00 C ATOM 527 NE2 HIS A 34 7.492 -1.110 -2.937 1.00 0.00 N ATOM 0 H HIS A 34 3.138 -0.140 -1.065 1.00 0.00 H new ATOM 0 HA HIS A 34 4.254 -2.934 -0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.243 -0.281 0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.779 -1.863 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.887 0.405 -2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.662 -2.816 -2.756 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.865 -0.736 -3.810 1.00 0.00 H new ATOM 535 N CYS A 35 2.456 -3.211 0.944 1.00 0.00 N ATOM 536 CA CYS A 35 1.420 -3.368 1.962 1.00 0.00 C ATOM 537 C CYS A 35 2.151 -3.975 3.149 1.00 0.00 C ATOM 538 O CYS A 35 2.642 -5.083 3.004 1.00 0.00 O ATOM 539 CB CYS A 35 0.249 -4.219 1.386 1.00 0.00 C ATOM 540 SG CYS A 35 -1.009 -3.359 0.365 1.00 0.00 S ATOM 0 H CYS A 35 2.733 -4.082 0.491 1.00 0.00 H new ATOM 0 HA CYS A 35 0.936 -2.443 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.680 -5.018 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.265 -4.692 2.223 1.00 0.00 H new ATOM 545 N THR A 36 2.275 -3.263 4.302 1.00 0.00 N ATOM 546 CA THR A 36 3.161 -3.710 5.383 1.00 0.00 C ATOM 547 C THR A 36 2.362 -4.443 6.447 1.00 0.00 C ATOM 548 O THR A 36 1.592 -3.761 7.113 1.00 0.00 O ATOM 549 CB THR A 36 3.863 -2.466 5.989 1.00 0.00 C ATOM 550 OG1 THR A 36 4.488 -1.746 4.911 1.00 0.00 O ATOM 551 CG2 THR A 36 4.904 -2.862 7.068 1.00 0.00 C ATOM 0 H THR A 36 1.777 -2.394 4.494 1.00 0.00 H new ATOM 0 HA THR A 36 3.909 -4.399 4.992 1.00 0.00 H new ATOM 0 HB THR A 36 3.126 -1.838 6.490 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.939 -0.952 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.373 -1.963 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.406 -3.400 7.874 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.666 -3.501 6.621 1.00 0.00 H new ATOM 559 N PRO A 37 2.496 -5.790 6.632 1.00 0.00 N ATOM 560 CA PRO A 37 1.527 -6.550 7.415 1.00 0.00 C ATOM 561 C PRO A 37 1.587 -6.233 8.886 1.00 0.00 C ATOM 562 O PRO A 37 2.633 -5.795 9.339 1.00 0.00 O ATOM 563 CB PRO A 37 1.971 -8.004 7.116 1.00 0.00 C ATOM 564 CG PRO A 37 3.485 -7.868 6.855 1.00 0.00 C ATOM 565 CD PRO A 37 3.589 -6.553 6.048 1.00 0.00 C ATOM 0 HA PRO A 37 0.491 -6.333 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.766 -8.668 7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.449 -8.414 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.051 -7.815 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.874 -8.717 6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.553 -6.062 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.456 -6.713 4.978 1.00 0.00 H new ATOM 573 N LYS A 38 0.482 -6.461 9.638 1.00 0.00 N ATOM 574 CA LYS A 38 0.549 -6.293 11.088 1.00 0.00 C ATOM 575 C LYS A 38 1.227 -7.531 11.609 1.00 0.00 C ATOM 576 O LYS A 38 0.670 -8.615 11.557 1.00 0.00 O ATOM 577 CB LYS A 38 -0.860 -6.078 11.708 1.00 0.00 C ATOM 578 CG LYS A 38 -0.843 -5.606 13.193 1.00 0.00 C ATOM 579 CD LYS A 38 -0.260 -6.631 14.202 1.00 0.00 C ATOM 580 CE LYS A 38 -0.361 -6.091 15.654 1.00 0.00 C ATOM 581 NZ LYS A 38 0.364 -4.810 15.789 1.00 0.00 N ATOM 582 OXT LYS A 38 2.447 -7.442 12.132 1.00 0.00 O ATOM 0 H LYS A 38 -0.425 -6.750 9.272 1.00 0.00 H new ATOM 0 HA LYS A 38 1.110 -5.400 11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.398 -5.341 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.419 -7.011 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.264 -4.685 13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.863 -5.364 13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.799 -7.575 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.782 -6.837 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.408 -5.952 15.923 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.052 -6.823 16.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.385 -4.527 16.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.337 -4.924 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.120 -4.077 15.232 1.00 0.00 H new TER 596 LYS A 38