USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= -1.75! C(o=-1.5!,f=-3!) USER MOD Set 1.2: A 26 TYR OH : rot 1:sc= 0.622 USER MOD Set 1.3: A 52 ASN : amide:sc= -0.365! C(o=-1.5!,f=-5.4!) USER MOD Set 2.1: A 31 THR OG1 : rot 140:sc= 0.249 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 139:sc= -3.53! (180deg=-6.84!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00589 X(o=-0.0059,f=-0.0016) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0621 USER MOD Single : A 25 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 46 THR OG1 : rot 91:sc= 0.0188 USER MOD Single : A 50 GLN : amide:sc= -0.0583 K(o=-0.058,f=-1.6) USER MOD Single : A 57 SER OG : rot 9:sc= 0.608 USER MOD Single : A 59 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.018 2.938 11.827 1.00 0.00 N ATOM 2 CA ASP A 11 5.239 4.221 11.104 1.00 0.00 C ATOM 3 C ASP A 11 4.535 4.164 9.742 1.00 0.00 C ATOM 4 O ASP A 11 3.836 5.079 9.357 1.00 0.00 O ATOM 5 CB ASP A 11 6.741 4.440 10.907 1.00 0.00 C ATOM 6 CG ASP A 11 7.469 4.166 12.225 1.00 0.00 C ATOM 7 OD1 ASP A 11 7.509 3.014 12.626 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.968 5.111 12.814 1.00 0.00 O ATOM 0 HA ASP A 11 4.830 5.048 11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.117 3.779 10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.931 5.462 10.579 1.00 0.00 H new ATOM 13 N LEU A 12 4.701 3.088 9.017 1.00 0.00 N ATOM 14 CA LEU A 12 4.030 2.972 7.693 1.00 0.00 C ATOM 15 C LEU A 12 2.566 2.566 7.927 1.00 0.00 C ATOM 16 O LEU A 12 2.265 1.880 8.885 1.00 0.00 O ATOM 17 CB LEU A 12 4.726 1.882 6.865 1.00 0.00 C ATOM 18 CG LEU A 12 6.243 2.076 6.892 1.00 0.00 C ATOM 19 CD1 LEU A 12 6.899 0.987 6.037 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.601 3.455 6.325 1.00 0.00 C ATOM 0 H LEU A 12 5.272 2.287 9.286 1.00 0.00 H new ATOM 0 HA LEU A 12 4.081 3.922 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.472 0.899 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.368 1.914 5.836 1.00 0.00 H new ATOM 0 HG LEU A 12 6.602 2.009 7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.981 1.117 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.646 0.006 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.537 1.062 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.683 3.588 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.247 3.529 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.128 4.230 6.928 1.00 0.00 H new ATOM 32 N PRO A 13 1.656 2.968 7.072 1.00 0.00 N ATOM 33 CA PRO A 13 0.215 2.605 7.231 1.00 0.00 C ATOM 34 C PRO A 13 0.019 1.080 7.194 1.00 0.00 C ATOM 35 O PRO A 13 0.858 0.356 6.695 1.00 0.00 O ATOM 36 CB PRO A 13 -0.481 3.294 6.037 1.00 0.00 C ATOM 37 CG PRO A 13 0.611 3.573 5.048 1.00 0.00 C ATOM 38 CD PRO A 13 1.880 3.795 5.872 1.00 0.00 C ATOM 0 HA PRO A 13 -0.194 2.926 8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.248 2.651 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.975 4.215 6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.735 2.738 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.378 4.452 4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.772 3.482 5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.015 4.846 6.128 1.00 0.00 H new ATOM 46 N PRO A 14 -1.076 0.592 7.719 1.00 0.00 N ATOM 47 CA PRO A 14 -1.370 -0.871 7.738 1.00 0.00 C ATOM 48 C PRO A 14 -1.666 -1.396 6.331 1.00 0.00 C ATOM 49 O PRO A 14 -2.081 -0.655 5.466 1.00 0.00 O ATOM 50 CB PRO A 14 -2.599 -0.982 8.648 1.00 0.00 C ATOM 51 CG PRO A 14 -3.275 0.340 8.518 1.00 0.00 C ATOM 52 CD PRO A 14 -2.156 1.369 8.345 1.00 0.00 C ATOM 0 HA PRO A 14 -0.529 -1.466 8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.253 -1.796 8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.313 -1.182 9.680 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.951 0.351 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.875 0.560 9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.469 2.202 7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.846 1.791 9.301 1.00 0.00 H new ATOM 60 N ASN A 15 -1.441 -2.663 6.099 1.00 0.00 N ATOM 61 CA ASN A 15 -1.690 -3.245 4.748 1.00 0.00 C ATOM 62 C ASN A 15 -0.587 -2.791 3.790 1.00 0.00 C ATOM 63 O ASN A 15 -0.471 -3.291 2.687 1.00 0.00 O ATOM 64 CB ASN A 15 -3.062 -2.799 4.213 1.00 0.00 C ATOM 65 CG ASN A 15 -4.052 -2.701 5.375 1.00 0.00 C ATOM 66 OD1 ASN A 15 -4.246 -3.652 6.106 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.695 -1.582 5.578 1.00 0.00 N ATOM 0 H ASN A 15 -1.093 -3.324 6.793 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.686 -4.332 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.974 -1.834 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.424 -3.510 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.359 -1.508 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.533 -0.783 4.965 1.00 0.00 H new ATOM 74 N LEU A 16 0.230 -1.847 4.203 1.00 0.00 N ATOM 75 CA LEU A 16 1.333 -1.356 3.315 1.00 0.00 C ATOM 76 C LEU A 16 2.677 -1.904 3.794 1.00 0.00 C ATOM 77 O LEU A 16 2.891 -2.120 4.971 1.00 0.00 O ATOM 78 CB LEU A 16 1.374 0.178 3.327 1.00 0.00 C ATOM 79 CG LEU A 16 2.499 0.688 2.379 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.009 1.899 1.575 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.740 1.094 3.194 1.00 0.00 C ATOM 0 H LEU A 16 0.179 -1.396 5.117 1.00 0.00 H new ATOM 0 HA LEU A 16 1.144 -1.704 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.411 0.578 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.551 0.537 4.341 1.00 0.00 H new ATOM 0 HG LEU A 16 2.761 -0.120 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.806 2.245 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.143 1.613 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.729 2.701 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.519 1.449 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.474 1.889 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.108 0.232 3.751 1.00 0.00 H new ATOM 93 N TYR A 17 3.585 -2.127 2.877 1.00 0.00 N ATOM 94 CA TYR A 17 4.931 -2.662 3.245 1.00 0.00 C ATOM 95 C TYR A 17 6.004 -1.917 2.460 1.00 0.00 C ATOM 96 O TYR A 17 5.742 -0.919 1.818 1.00 0.00 O ATOM 97 CB TYR A 17 5.001 -4.141 2.875 1.00 0.00 C ATOM 98 CG TYR A 17 3.932 -4.892 3.623 1.00 0.00 C ATOM 99 CD1 TYR A 17 2.602 -4.831 3.191 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.273 -5.647 4.747 1.00 0.00 C ATOM 101 CE1 TYR A 17 1.608 -5.530 3.886 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.280 -6.348 5.445 1.00 0.00 C ATOM 103 CZ TYR A 17 1.948 -6.289 5.013 1.00 0.00 C ATOM 104 OH TYR A 17 0.970 -6.980 5.699 1.00 0.00 O ATOM 0 H TYR A 17 3.449 -1.960 1.880 1.00 0.00 H new ATOM 0 HA TYR A 17 5.092 -2.532 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.865 -4.266 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.984 -4.543 3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.343 -4.245 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.300 -5.691 5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.581 -5.484 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.541 -6.933 6.315 1.00 0.00 H new ATOM 0 HH TYR A 17 1.374 -7.456 6.454 1.00 0.00 H new ATOM 114 N ILE A 18 7.214 -2.404 2.491 1.00 0.00 N ATOM 115 CA ILE A 18 8.309 -1.731 1.727 1.00 0.00 C ATOM 116 C ILE A 18 9.300 -2.785 1.218 1.00 0.00 C ATOM 117 O ILE A 18 9.475 -3.829 1.817 1.00 0.00 O ATOM 118 CB ILE A 18 9.012 -0.698 2.634 1.00 0.00 C ATOM 119 CG1 ILE A 18 9.695 0.382 1.776 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.065 -1.383 3.521 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.099 1.560 2.664 1.00 0.00 C ATOM 0 H ILE A 18 7.494 -3.236 3.010 1.00 0.00 H new ATOM 0 HA ILE A 18 7.895 -1.205 0.867 1.00 0.00 H new ATOM 0 HB ILE A 18 8.258 -0.235 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.574 -0.033 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.018 0.720 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.549 -0.638 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.581 -2.131 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.812 -1.866 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.583 2.325 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.211 1.980 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.791 1.216 3.432 1.00 0.00 H new ATOM 133 N ARG A 19 9.947 -2.522 0.113 1.00 0.00 N ATOM 134 CA ARG A 19 10.924 -3.507 -0.444 1.00 0.00 C ATOM 135 C ARG A 19 12.328 -3.183 0.081 1.00 0.00 C ATOM 136 O ARG A 19 12.651 -2.043 0.353 1.00 0.00 O ATOM 137 CB ARG A 19 10.899 -3.417 -1.981 1.00 0.00 C ATOM 138 CG ARG A 19 11.256 -4.775 -2.601 1.00 0.00 C ATOM 139 CD ARG A 19 11.163 -4.684 -4.126 1.00 0.00 C ATOM 140 NE ARG A 19 9.879 -4.024 -4.505 1.00 0.00 N ATOM 141 CZ ARG A 19 9.688 -3.600 -5.726 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.606 -3.787 -6.633 1.00 0.00 N ATOM 143 NH2 ARG A 19 8.574 -3.002 -6.043 1.00 0.00 N ATOM 0 H ARG A 19 9.841 -1.665 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 19 10.657 -4.518 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.910 -3.105 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.605 -2.659 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.263 -5.068 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.579 -5.544 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.006 -4.117 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.216 -5.680 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 19 9.146 -3.903 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.474 -4.265 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.456 -3.456 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.850 -2.865 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.426 -2.671 -6.997 1.00 0.00 H new ATOM 157 N ASN A 20 13.163 -4.174 0.218 1.00 0.00 N ATOM 158 CA ASN A 20 14.541 -3.918 0.719 1.00 0.00 C ATOM 159 C ASN A 20 15.247 -2.953 -0.233 1.00 0.00 C ATOM 160 O ASN A 20 16.304 -2.431 0.064 1.00 0.00 O ATOM 161 CB ASN A 20 15.310 -5.238 0.790 1.00 0.00 C ATOM 162 CG ASN A 20 14.628 -6.160 1.803 1.00 0.00 C ATOM 163 OD1 ASN A 20 14.190 -7.238 1.458 1.00 0.00 O ATOM 164 ND2 ASN A 20 14.521 -5.779 3.045 1.00 0.00 N ATOM 0 H ASN A 20 12.951 -5.149 0.005 1.00 0.00 H new ATOM 0 HA ASN A 20 14.498 -3.478 1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.336 -5.711 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.344 -5.056 1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.069 -6.387 3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.889 -4.873 3.334 1.00 0.00 H new ATOM 171 N ASN A 21 14.663 -2.705 -1.373 1.00 0.00 N ATOM 172 CA ASN A 21 15.283 -1.765 -2.346 1.00 0.00 C ATOM 173 C ASN A 21 14.760 -0.356 -2.067 1.00 0.00 C ATOM 174 O ASN A 21 15.125 0.598 -2.723 1.00 0.00 O ATOM 175 CB ASN A 21 14.899 -2.187 -3.763 1.00 0.00 C ATOM 176 CG ASN A 21 15.697 -3.432 -4.156 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.888 -3.356 -4.384 1.00 0.00 O ATOM 178 ND2 ASN A 21 15.088 -4.584 -4.242 1.00 0.00 N ATOM 0 H ASN A 21 13.779 -3.116 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 21 16.368 -1.780 -2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.830 -2.395 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.101 -1.376 -4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.612 -5.420 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.088 -4.648 -4.051 1.00 0.00 H new ATOM 185 N GLY A 22 13.908 -0.225 -1.085 1.00 0.00 N ATOM 186 CA GLY A 22 13.350 1.115 -0.737 1.00 0.00 C ATOM 187 C GLY A 22 12.102 1.391 -1.578 1.00 0.00 C ATOM 188 O GLY A 22 11.584 2.489 -1.595 1.00 0.00 O ATOM 0 H GLY A 22 13.572 -0.994 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.100 1.151 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.098 1.888 -0.915 1.00 0.00 H new ATOM 192 N TYR A 23 11.605 0.400 -2.271 1.00 0.00 N ATOM 193 CA TYR A 23 10.380 0.609 -3.101 1.00 0.00 C ATOM 194 C TYR A 23 9.150 0.372 -2.220 1.00 0.00 C ATOM 195 O TYR A 23 9.096 -0.572 -1.458 1.00 0.00 O ATOM 196 CB TYR A 23 10.380 -0.389 -4.283 1.00 0.00 C ATOM 197 CG TYR A 23 10.935 0.266 -5.526 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.312 0.252 -5.765 1.00 0.00 C ATOM 199 CD2 TYR A 23 10.070 0.881 -6.439 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.828 0.853 -6.919 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.583 1.482 -7.592 1.00 0.00 C ATOM 202 CZ TYR A 23 11.963 1.469 -7.833 1.00 0.00 C ATOM 203 OH TYR A 23 12.470 2.060 -8.971 1.00 0.00 O ATOM 0 H TYR A 23 11.993 -0.543 -2.299 1.00 0.00 H new ATOM 0 HA TYR A 23 10.362 1.624 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.977 -1.264 -4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.365 -0.739 -4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.978 -0.222 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.006 0.891 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.892 0.842 -7.105 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.916 1.956 -8.297 1.00 0.00 H new ATOM 0 HH TYR A 23 11.736 2.440 -9.497 1.00 0.00 H new ATOM 213 N TYR A 24 8.163 1.219 -2.319 1.00 0.00 N ATOM 214 CA TYR A 24 6.941 1.036 -1.484 1.00 0.00 C ATOM 215 C TYR A 24 5.998 0.051 -2.175 1.00 0.00 C ATOM 216 O TYR A 24 6.007 -0.093 -3.382 1.00 0.00 O ATOM 217 CB TYR A 24 6.245 2.393 -1.301 1.00 0.00 C ATOM 218 CG TYR A 24 6.834 3.097 -0.100 1.00 0.00 C ATOM 219 CD1 TYR A 24 8.162 3.538 -0.130 1.00 0.00 C ATOM 220 CD2 TYR A 24 6.057 3.290 1.045 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.712 4.175 0.989 1.00 0.00 C ATOM 222 CE2 TYR A 24 6.604 3.930 2.161 1.00 0.00 C ATOM 223 CZ TYR A 24 7.932 4.372 2.134 1.00 0.00 C ATOM 224 OH TYR A 24 8.471 4.996 3.241 1.00 0.00 O ATOM 0 H TYR A 24 8.149 2.028 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 24 7.215 0.640 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.373 3.004 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.173 2.250 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.762 3.387 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.034 2.945 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.737 4.514 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.002 4.083 3.044 1.00 0.00 H new ATOM 0 HH TYR A 24 7.793 5.053 3.947 1.00 0.00 H new ATOM 234 N CYS A 25 5.188 -0.635 -1.415 1.00 0.00 N ATOM 235 CA CYS A 25 4.251 -1.623 -2.027 1.00 0.00 C ATOM 236 C CYS A 25 3.032 -1.832 -1.121 1.00 0.00 C ATOM 237 O CYS A 25 3.133 -1.800 0.090 1.00 0.00 O ATOM 238 CB CYS A 25 4.987 -2.954 -2.215 1.00 0.00 C ATOM 239 SG CYS A 25 4.137 -3.943 -3.471 1.00 0.00 S ATOM 0 H CYS A 25 5.134 -0.555 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 25 3.908 -1.247 -2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.018 -2.772 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.023 -3.498 -1.271 1.00 0.00 H new ATOM 0 HG CYS A 25 4.763 -5.071 -3.632 1.00 0.00 H new ATOM 245 N TYR A 26 1.880 -2.059 -1.707 1.00 0.00 N ATOM 246 CA TYR A 26 0.636 -2.291 -0.904 1.00 0.00 C ATOM 247 C TYR A 26 0.238 -3.762 -1.025 1.00 0.00 C ATOM 248 O TYR A 26 0.586 -4.420 -1.985 1.00 0.00 O ATOM 249 CB TYR A 26 -0.487 -1.414 -1.451 1.00 0.00 C ATOM 250 CG TYR A 26 -1.695 -1.499 -0.552 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.840 -0.599 0.510 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.680 -2.463 -0.794 1.00 0.00 C ATOM 253 CE1 TYR A 26 -2.972 -0.662 1.330 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.811 -2.530 0.029 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.959 -1.627 1.090 1.00 0.00 C ATOM 256 OH TYR A 26 -5.082 -1.683 1.895 1.00 0.00 O ATOM 0 H TYR A 26 1.747 -2.094 -2.718 1.00 0.00 H new ATOM 0 HA TYR A 26 0.814 -2.041 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.149 -0.380 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.751 -1.734 -2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.078 0.144 0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.568 -3.155 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.085 0.034 2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.569 -3.277 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.036 -0.975 2.571 1.00 0.00 H new ATOM 266 N ARG A 27 -0.486 -4.290 -0.063 1.00 0.00 N ATOM 267 CA ARG A 27 -0.900 -5.732 -0.138 1.00 0.00 C ATOM 268 C ARG A 27 -2.393 -5.859 0.154 1.00 0.00 C ATOM 269 O ARG A 27 -2.864 -5.503 1.217 1.00 0.00 O ATOM 270 CB ARG A 27 -0.102 -6.559 0.881 1.00 0.00 C ATOM 271 CG ARG A 27 -0.037 -8.029 0.424 1.00 0.00 C ATOM 272 CD ARG A 27 0.330 -8.961 1.598 1.00 0.00 C ATOM 273 NE ARG A 27 -0.848 -9.818 1.904 1.00 0.00 N ATOM 274 CZ ARG A 27 -0.719 -10.845 2.697 1.00 0.00 C ATOM 275 NH1 ARG A 27 0.445 -11.123 3.215 1.00 0.00 N ATOM 276 NH2 ARG A 27 -1.752 -11.591 2.973 1.00 0.00 N ATOM 0 H ARG A 27 -0.807 -3.789 0.766 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.697 -6.107 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.905 -6.155 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.571 -6.494 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.999 -8.326 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.701 -8.133 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.190 -9.578 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.611 -8.376 2.474 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.756 -9.602 1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.252 -10.538 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.548 -11.926 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.662 -11.372 2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.650 -12.394 3.593 1.00 0.00 H new ATOM 290 N ASP A 28 -3.137 -6.378 -0.778 1.00 0.00 N ATOM 291 CA ASP A 28 -4.601 -6.544 -0.546 1.00 0.00 C ATOM 292 C ASP A 28 -4.823 -7.755 0.389 1.00 0.00 C ATOM 293 O ASP A 28 -4.225 -8.793 0.189 1.00 0.00 O ATOM 294 CB ASP A 28 -5.300 -6.784 -1.886 1.00 0.00 C ATOM 295 CG ASP A 28 -4.670 -5.892 -2.957 1.00 0.00 C ATOM 296 OD1 ASP A 28 -3.604 -6.241 -3.439 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.262 -4.875 -3.275 1.00 0.00 O ATOM 0 H ASP A 28 -2.800 -6.694 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.014 -5.647 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.211 -7.832 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.364 -6.567 -1.797 1.00 0.00 H new ATOM 302 N PRO A 29 -5.664 -7.645 1.400 1.00 0.00 N ATOM 303 CA PRO A 29 -5.923 -8.777 2.342 1.00 0.00 C ATOM 304 C PRO A 29 -6.913 -9.812 1.782 1.00 0.00 C ATOM 305 O PRO A 29 -7.556 -10.524 2.528 1.00 0.00 O ATOM 306 CB PRO A 29 -6.516 -8.073 3.564 1.00 0.00 C ATOM 307 CG PRO A 29 -7.269 -6.919 2.990 1.00 0.00 C ATOM 308 CD PRO A 29 -6.456 -6.453 1.773 1.00 0.00 C ATOM 0 HA PRO A 29 -5.019 -9.350 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.172 -8.737 4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.737 -7.739 4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.276 -7.216 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.373 -6.117 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.105 -6.133 0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.814 -5.608 2.021 1.00 0.00 H new ATOM 316 N ARG A 30 -7.043 -9.911 0.484 1.00 0.00 N ATOM 317 CA ARG A 30 -7.991 -10.911 -0.093 1.00 0.00 C ATOM 318 C ARG A 30 -7.248 -12.231 -0.288 1.00 0.00 C ATOM 319 O ARG A 30 -7.521 -13.212 0.375 1.00 0.00 O ATOM 320 CB ARG A 30 -8.513 -10.404 -1.446 1.00 0.00 C ATOM 321 CG ARG A 30 -9.758 -11.199 -1.861 1.00 0.00 C ATOM 322 CD ARG A 30 -10.449 -10.496 -3.036 1.00 0.00 C ATOM 323 NE ARG A 30 -9.426 -10.057 -4.028 1.00 0.00 N ATOM 324 CZ ARG A 30 -9.793 -9.674 -5.221 1.00 0.00 C ATOM 325 NH1 ARG A 30 -11.060 -9.639 -5.535 1.00 0.00 N ATOM 326 NH2 ARG A 30 -8.894 -9.313 -6.095 1.00 0.00 N ATOM 0 H ARG A 30 -6.537 -9.346 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.836 -11.057 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.755 -9.343 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.737 -10.505 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.476 -12.213 -2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.445 -11.283 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.162 -11.172 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.014 -9.636 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.438 -10.056 -3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.763 -9.911 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.346 -9.340 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.905 -9.330 -5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.180 -9.014 -7.027 1.00 0.00 H new ATOM 340 N THR A 31 -6.300 -12.254 -1.192 1.00 0.00 N ATOM 341 CA THR A 31 -5.509 -13.494 -1.449 1.00 0.00 C ATOM 342 C THR A 31 -4.064 -13.248 -1.001 1.00 0.00 C ATOM 343 O THR A 31 -3.295 -14.171 -0.817 1.00 0.00 O ATOM 344 CB THR A 31 -5.548 -13.827 -2.952 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.353 -13.382 -3.576 1.00 0.00 O ATOM 346 CG2 THR A 31 -6.750 -13.142 -3.610 1.00 0.00 C ATOM 0 H THR A 31 -6.038 -11.455 -1.769 1.00 0.00 H new ATOM 0 HA THR A 31 -5.929 -14.333 -0.895 1.00 0.00 H new ATOM 0 HB THR A 31 -5.639 -14.907 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.058 -14.049 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.769 -13.383 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.670 -13.492 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.667 -12.062 -3.484 1.00 0.00 H new ATOM 354 N GLY A 32 -3.694 -12.003 -0.811 1.00 0.00 N ATOM 355 CA GLY A 32 -2.304 -11.679 -0.359 1.00 0.00 C ATOM 356 C GLY A 32 -1.466 -11.199 -1.547 1.00 0.00 C ATOM 357 O GLY A 32 -0.263 -11.376 -1.581 1.00 0.00 O ATOM 0 H GLY A 32 -4.299 -11.194 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.334 -10.908 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.844 -12.560 0.089 1.00 0.00 H new ATOM 361 N LYS A 33 -2.090 -10.587 -2.520 1.00 0.00 N ATOM 362 CA LYS A 33 -1.327 -10.089 -3.704 1.00 0.00 C ATOM 363 C LYS A 33 -0.607 -8.788 -3.338 1.00 0.00 C ATOM 364 O LYS A 33 -0.726 -8.298 -2.235 1.00 0.00 O ATOM 365 CB LYS A 33 -2.290 -9.826 -4.871 1.00 0.00 C ATOM 366 CG LYS A 33 -3.568 -9.129 -4.357 1.00 0.00 C ATOM 367 CD LYS A 33 -4.673 -10.170 -4.076 1.00 0.00 C ATOM 368 CE LYS A 33 -5.304 -10.686 -5.394 1.00 0.00 C ATOM 369 NZ LYS A 33 -4.995 -12.135 -5.544 1.00 0.00 N ATOM 0 H LYS A 33 -3.094 -10.410 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.596 -10.841 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.803 -9.203 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.550 -10.766 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.345 -8.571 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.918 -8.408 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.254 -11.007 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.446 -9.724 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.383 -10.530 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.911 -10.127 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.834 -12.634 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.209 -12.255 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.726 -12.530 -4.620 1.00 0.00 H new ATOM 383 N GLU A 34 0.135 -8.219 -4.262 1.00 0.00 N ATOM 384 CA GLU A 34 0.871 -6.944 -3.972 1.00 0.00 C ATOM 385 C GLU A 34 0.631 -5.917 -5.085 1.00 0.00 C ATOM 386 O GLU A 34 0.196 -6.245 -6.173 1.00 0.00 O ATOM 387 CB GLU A 34 2.375 -7.225 -3.897 1.00 0.00 C ATOM 388 CG GLU A 34 2.658 -8.343 -2.892 1.00 0.00 C ATOM 389 CD GLU A 34 4.095 -8.838 -3.077 1.00 0.00 C ATOM 390 OE1 GLU A 34 4.355 -9.484 -4.079 1.00 0.00 O ATOM 391 OE2 GLU A 34 4.912 -8.562 -2.214 1.00 0.00 O ATOM 0 H GLU A 34 0.263 -8.584 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 34 0.506 -6.548 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.748 -7.509 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.907 -6.320 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.515 -7.978 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.957 -9.165 -3.037 1.00 0.00 H new ATOM 398 N PHE A 35 0.937 -4.674 -4.810 1.00 0.00 N ATOM 399 CA PHE A 35 0.766 -3.591 -5.831 1.00 0.00 C ATOM 400 C PHE A 35 1.970 -2.643 -5.749 1.00 0.00 C ATOM 401 O PHE A 35 2.162 -1.947 -4.772 1.00 0.00 O ATOM 402 CB PHE A 35 -0.532 -2.813 -5.548 1.00 0.00 C ATOM 403 CG PHE A 35 -1.685 -3.445 -6.290 1.00 0.00 C ATOM 404 CD1 PHE A 35 -2.285 -4.607 -5.793 1.00 0.00 C ATOM 405 CD2 PHE A 35 -2.145 -2.869 -7.478 1.00 0.00 C ATOM 406 CE1 PHE A 35 -3.349 -5.194 -6.488 1.00 0.00 C ATOM 407 CE2 PHE A 35 -3.211 -3.454 -8.173 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.812 -4.618 -7.678 1.00 0.00 C ATOM 0 H PHE A 35 1.302 -4.358 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 35 0.706 -4.026 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.737 -2.808 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.417 -1.774 -5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.928 -5.050 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.678 -1.973 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.813 -6.091 -6.106 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.569 -3.008 -9.089 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.633 -5.072 -8.214 1.00 0.00 H new ATOM 418 N GLY A 36 2.778 -2.616 -6.771 1.00 0.00 N ATOM 419 CA GLY A 36 3.971 -1.721 -6.761 1.00 0.00 C ATOM 420 C GLY A 36 3.529 -0.265 -6.903 1.00 0.00 C ATOM 421 O GLY A 36 2.792 0.083 -7.805 1.00 0.00 O ATOM 0 H GLY A 36 2.664 -3.176 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.528 -1.853 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.643 -1.987 -7.576 1.00 0.00 H new ATOM 425 N LEU A 37 3.978 0.592 -6.020 1.00 0.00 N ATOM 426 CA LEU A 37 3.596 2.039 -6.092 1.00 0.00 C ATOM 427 C LEU A 37 4.786 2.854 -6.599 1.00 0.00 C ATOM 428 O LEU A 37 4.698 3.540 -7.597 1.00 0.00 O ATOM 429 CB LEU A 37 3.211 2.532 -4.695 1.00 0.00 C ATOM 430 CG LEU A 37 2.270 1.529 -4.020 1.00 0.00 C ATOM 431 CD1 LEU A 37 1.779 2.110 -2.693 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.063 1.244 -4.923 1.00 0.00 C ATOM 0 H LEU A 37 4.597 0.351 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 37 2.752 2.158 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.107 2.666 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.726 3.506 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 37 2.811 0.599 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.109 1.399 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.632 2.304 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.245 3.042 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.402 0.530 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.521 2.171 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.407 0.828 -5.870 1.00 0.00 H new ATOM 444 N GLY A 38 5.898 2.787 -5.920 1.00 0.00 N ATOM 445 CA GLY A 38 7.091 3.563 -6.368 1.00 0.00 C ATOM 446 C GLY A 38 8.067 3.748 -5.200 1.00 0.00 C ATOM 447 O GLY A 38 8.060 2.994 -4.248 1.00 0.00 O ATOM 0 H GLY A 38 6.033 2.230 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.587 3.042 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.780 4.535 -6.750 1.00 0.00 H new ATOM 451 N ARG A 39 8.916 4.747 -5.278 1.00 0.00 N ATOM 452 CA ARG A 39 9.914 4.996 -4.187 1.00 0.00 C ATOM 453 C ARG A 39 9.522 6.247 -3.385 1.00 0.00 C ATOM 454 O ARG A 39 10.225 6.660 -2.484 1.00 0.00 O ATOM 455 CB ARG A 39 11.303 5.217 -4.811 1.00 0.00 C ATOM 456 CG ARG A 39 11.564 4.196 -5.945 1.00 0.00 C ATOM 457 CD ARG A 39 11.199 4.806 -7.303 1.00 0.00 C ATOM 458 NE ARG A 39 12.291 5.727 -7.736 1.00 0.00 N ATOM 459 CZ ARG A 39 12.339 6.156 -8.967 1.00 0.00 C ATOM 460 NH1 ARG A 39 11.408 5.816 -9.817 1.00 0.00 N ATOM 461 NH2 ARG A 39 13.317 6.933 -9.350 1.00 0.00 N ATOM 0 H ARG A 39 8.960 5.405 -6.056 1.00 0.00 H new ATOM 0 HA ARG A 39 9.934 4.133 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.373 6.231 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.071 5.120 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.613 3.899 -5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.977 3.294 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.057 4.018 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.257 5.349 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 39 13.002 6.022 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.641 5.214 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.448 6.153 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.043 7.204 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.355 7.269 -10.312 1.00 0.00 H new ATOM 475 N ASP A 40 8.419 6.864 -3.716 1.00 0.00 N ATOM 476 CA ASP A 40 7.989 8.103 -2.988 1.00 0.00 C ATOM 477 C ASP A 40 6.962 7.750 -1.907 1.00 0.00 C ATOM 478 O ASP A 40 5.825 7.449 -2.202 1.00 0.00 O ATOM 479 CB ASP A 40 7.342 9.059 -3.994 1.00 0.00 C ATOM 480 CG ASP A 40 8.402 9.567 -4.974 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.680 8.862 -5.931 1.00 0.00 O ATOM 482 OD2 ASP A 40 8.919 10.649 -4.752 1.00 0.00 O ATOM 0 H ASP A 40 7.792 6.565 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 40 8.856 8.568 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.546 8.548 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.884 9.898 -3.471 1.00 0.00 H new ATOM 487 N ARG A 41 7.348 7.797 -0.653 1.00 0.00 N ATOM 488 CA ARG A 41 6.380 7.472 0.437 1.00 0.00 C ATOM 489 C ARG A 41 5.213 8.459 0.389 1.00 0.00 C ATOM 490 O ARG A 41 4.177 8.242 0.980 1.00 0.00 O ATOM 491 CB ARG A 41 7.079 7.539 1.804 1.00 0.00 C ATOM 492 CG ARG A 41 7.449 8.983 2.176 1.00 0.00 C ATOM 493 CD ARG A 41 8.093 8.989 3.567 1.00 0.00 C ATOM 494 NE ARG A 41 9.498 8.506 3.459 1.00 0.00 N ATOM 495 CZ ARG A 41 10.323 8.665 4.458 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.904 9.210 5.567 1.00 0.00 N ATOM 497 NH2 ARG A 41 11.562 8.272 4.352 1.00 0.00 N ATOM 0 H ARG A 41 8.287 8.045 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 41 6.001 6.460 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.425 7.121 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.979 6.925 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.138 9.397 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.560 9.613 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.073 9.995 3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.527 8.350 4.245 1.00 0.00 H new ATOM 0 HE ARG A 41 9.816 8.051 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.933 9.511 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.547 9.335 6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.888 7.840 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.205 8.397 5.134 1.00 0.00 H new ATOM 511 N ARG A 42 5.376 9.544 -0.314 1.00 0.00 N ATOM 512 CA ARG A 42 4.284 10.539 -0.403 1.00 0.00 C ATOM 513 C ARG A 42 3.198 9.997 -1.322 1.00 0.00 C ATOM 514 O ARG A 42 2.045 9.905 -0.955 1.00 0.00 O ATOM 515 CB ARG A 42 4.826 11.861 -0.964 1.00 0.00 C ATOM 516 CG ARG A 42 5.875 12.465 -0.002 1.00 0.00 C ATOM 517 CD ARG A 42 7.281 11.953 -0.342 1.00 0.00 C ATOM 518 NE ARG A 42 8.289 12.691 0.475 1.00 0.00 N ATOM 519 CZ ARG A 42 9.507 12.234 0.581 1.00 0.00 C ATOM 520 NH1 ARG A 42 9.839 11.121 -0.011 1.00 0.00 N ATOM 521 NH2 ARG A 42 10.395 12.892 1.279 1.00 0.00 N ATOM 0 H ARG A 42 6.223 9.781 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 42 3.872 10.721 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.276 11.691 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.007 12.566 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.853 13.553 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.626 12.203 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.348 10.883 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.484 12.093 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 42 8.026 13.554 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.147 10.608 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.791 10.764 0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.136 13.764 1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.347 12.534 1.361 1.00 0.00 H new ATOM 535 N ILE A 43 3.563 9.637 -2.520 1.00 0.00 N ATOM 536 CA ILE A 43 2.554 9.103 -3.466 1.00 0.00 C ATOM 537 C ILE A 43 2.160 7.684 -3.041 1.00 0.00 C ATOM 538 O ILE A 43 1.023 7.287 -3.170 1.00 0.00 O ATOM 539 CB ILE A 43 3.139 9.089 -4.886 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.209 10.527 -5.418 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.247 8.252 -5.812 1.00 0.00 C ATOM 542 CD1 ILE A 43 4.063 10.579 -6.692 1.00 0.00 C ATOM 0 H ILE A 43 4.515 9.690 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 43 1.667 9.737 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 43 4.138 8.653 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.205 10.894 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.635 11.183 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.669 8.247 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.191 7.230 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.246 8.683 -5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.105 11.604 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.072 10.232 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.619 9.938 -7.454 1.00 0.00 H new ATOM 554 N ALA A 44 3.085 6.919 -2.533 1.00 0.00 N ATOM 555 CA ALA A 44 2.746 5.533 -2.106 1.00 0.00 C ATOM 556 C ALA A 44 1.733 5.592 -0.953 1.00 0.00 C ATOM 557 O ALA A 44 0.655 5.038 -1.036 1.00 0.00 O ATOM 558 CB ALA A 44 4.035 4.824 -1.661 1.00 0.00 C ATOM 0 H ALA A 44 4.058 7.192 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 44 2.301 4.977 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.801 3.807 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.739 4.793 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.481 5.368 -0.829 1.00 0.00 H new ATOM 564 N ILE A 45 2.068 6.260 0.114 1.00 0.00 N ATOM 565 CA ILE A 45 1.121 6.352 1.262 1.00 0.00 C ATOM 566 C ILE A 45 -0.250 6.818 0.752 1.00 0.00 C ATOM 567 O ILE A 45 -1.279 6.343 1.187 1.00 0.00 O ATOM 568 CB ILE A 45 1.668 7.359 2.289 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.871 6.740 3.010 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.582 7.703 3.315 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.536 7.788 3.911 1.00 0.00 C ATOM 0 H ILE A 45 2.955 6.746 0.242 1.00 0.00 H new ATOM 0 HA ILE A 45 1.015 5.376 1.735 1.00 0.00 H new ATOM 0 HB ILE A 45 1.973 8.270 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.549 5.887 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.590 6.366 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.978 8.416 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.275 8.142 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.271 6.796 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.390 7.341 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.874 8.628 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.817 8.141 4.650 1.00 0.00 H new ATOM 583 N THR A 46 -0.271 7.752 -0.159 1.00 0.00 N ATOM 584 CA THR A 46 -1.572 8.258 -0.686 1.00 0.00 C ATOM 585 C THR A 46 -2.424 7.079 -1.178 1.00 0.00 C ATOM 586 O THR A 46 -3.536 6.881 -0.737 1.00 0.00 O ATOM 587 CB THR A 46 -1.287 9.253 -1.832 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.096 10.550 -1.284 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.448 9.301 -2.837 1.00 0.00 C ATOM 0 H THR A 46 0.558 8.188 -0.563 1.00 0.00 H new ATOM 0 HA THR A 46 -2.128 8.770 0.100 1.00 0.00 H new ATOM 0 HB THR A 46 -0.392 8.920 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.146 10.685 -1.087 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.214 10.011 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.597 8.311 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.358 9.615 -2.326 1.00 0.00 H new ATOM 597 N GLU A 47 -1.910 6.308 -2.094 1.00 0.00 N ATOM 598 CA GLU A 47 -2.688 5.154 -2.630 1.00 0.00 C ATOM 599 C GLU A 47 -3.045 4.210 -1.491 1.00 0.00 C ATOM 600 O GLU A 47 -4.110 3.624 -1.460 1.00 0.00 O ATOM 601 CB GLU A 47 -1.831 4.409 -3.648 1.00 0.00 C ATOM 602 CG GLU A 47 -1.314 5.399 -4.681 1.00 0.00 C ATOM 603 CD GLU A 47 -0.514 4.656 -5.754 1.00 0.00 C ATOM 604 OE1 GLU A 47 -1.026 3.679 -6.276 1.00 0.00 O ATOM 605 OE2 GLU A 47 0.595 5.079 -6.037 1.00 0.00 O ATOM 0 H GLU A 47 -0.981 6.427 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.601 5.514 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.997 3.916 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.417 3.629 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.148 5.930 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.686 6.148 -4.199 1.00 0.00 H new ATOM 612 N ALA A 48 -2.167 4.064 -0.549 1.00 0.00 N ATOM 613 CA ALA A 48 -2.462 3.160 0.596 1.00 0.00 C ATOM 614 C ALA A 48 -3.783 3.598 1.245 1.00 0.00 C ATOM 615 O ALA A 48 -4.634 2.788 1.558 1.00 0.00 O ATOM 616 CB ALA A 48 -1.318 3.238 1.619 1.00 0.00 C ATOM 0 H ALA A 48 -1.259 4.528 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.552 2.131 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.534 2.576 2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.385 2.932 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.222 4.262 1.980 1.00 0.00 H new ATOM 622 N ILE A 49 -3.959 4.877 1.445 1.00 0.00 N ATOM 623 CA ILE A 49 -5.222 5.370 2.070 1.00 0.00 C ATOM 624 C ILE A 49 -6.423 5.037 1.177 1.00 0.00 C ATOM 625 O ILE A 49 -7.446 4.581 1.650 1.00 0.00 O ATOM 626 CB ILE A 49 -5.130 6.887 2.281 1.00 0.00 C ATOM 627 CG1 ILE A 49 -4.122 7.166 3.396 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.504 7.452 2.676 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.799 8.663 3.439 1.00 0.00 C ATOM 0 H ILE A 49 -3.283 5.602 1.203 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.359 4.878 3.033 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.809 7.365 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.528 6.844 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.211 6.592 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.426 8.529 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.224 7.245 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.838 6.983 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.080 8.857 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.374 8.971 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.712 9.227 3.629 1.00 0.00 H new ATOM 641 N GLN A 50 -6.315 5.266 -0.102 1.00 0.00 N ATOM 642 CA GLN A 50 -7.464 4.963 -1.005 1.00 0.00 C ATOM 643 C GLN A 50 -7.759 3.468 -0.942 1.00 0.00 C ATOM 644 O GLN A 50 -8.898 3.045 -0.917 1.00 0.00 O ATOM 645 CB GLN A 50 -7.121 5.349 -2.450 1.00 0.00 C ATOM 646 CG GLN A 50 -6.455 6.722 -2.476 1.00 0.00 C ATOM 647 CD GLN A 50 -7.393 7.765 -1.868 1.00 0.00 C ATOM 648 OE1 GLN A 50 -7.405 7.963 -0.671 1.00 0.00 O ATOM 649 NE2 GLN A 50 -8.181 8.452 -2.651 1.00 0.00 N ATOM 0 H GLN A 50 -5.487 5.647 -0.560 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.334 5.535 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.456 4.604 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.026 5.363 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.519 6.693 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.207 6.997 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.171 8.286 -3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.806 9.155 -2.256 1.00 0.00 H new ATOM 658 N ALA A 51 -6.735 2.666 -0.908 1.00 0.00 N ATOM 659 CA ALA A 51 -6.941 1.195 -0.834 1.00 0.00 C ATOM 660 C ALA A 51 -7.600 0.863 0.505 1.00 0.00 C ATOM 661 O ALA A 51 -8.452 0.001 0.597 1.00 0.00 O ATOM 662 CB ALA A 51 -5.588 0.485 -0.936 1.00 0.00 C ATOM 0 H ALA A 51 -5.760 2.967 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.578 0.862 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.738 -0.593 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.115 0.738 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.947 0.804 -0.114 1.00 0.00 H new ATOM 668 N ASN A 52 -7.210 1.549 1.547 1.00 0.00 N ATOM 669 CA ASN A 52 -7.805 1.288 2.886 1.00 0.00 C ATOM 670 C ASN A 52 -9.258 1.766 2.915 1.00 0.00 C ATOM 671 O ASN A 52 -10.135 1.100 3.430 1.00 0.00 O ATOM 672 CB ASN A 52 -7.006 2.045 3.943 1.00 0.00 C ATOM 673 CG ASN A 52 -5.666 1.345 4.168 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.581 0.136 4.099 1.00 0.00 O ATOM 675 ND2 ASN A 52 -4.607 2.059 4.439 1.00 0.00 N ATOM 0 H ASN A 52 -6.501 2.282 1.526 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.776 0.218 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.842 3.074 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.567 2.088 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.709 1.601 4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.678 3.075 4.497 1.00 0.00 H new ATOM 682 N ILE A 53 -9.516 2.923 2.377 1.00 0.00 N ATOM 683 CA ILE A 53 -10.905 3.460 2.384 1.00 0.00 C ATOM 684 C ILE A 53 -11.783 2.604 1.474 1.00 0.00 C ATOM 685 O ILE A 53 -12.936 2.355 1.762 1.00 0.00 O ATOM 686 CB ILE A 53 -10.878 4.904 1.880 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.183 5.782 2.924 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.307 5.407 1.656 1.00 0.00 C ATOM 689 CD1 ILE A 53 -9.866 7.148 2.318 1.00 0.00 C ATOM 0 H ILE A 53 -8.822 3.523 1.931 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.313 3.435 3.395 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.336 4.950 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.823 5.901 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.265 5.302 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.279 6.436 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.802 4.778 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.859 5.365 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.371 7.771 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.209 7.021 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.791 7.629 2.000 1.00 0.00 H new ATOM 701 N GLU A 54 -11.247 2.146 0.385 1.00 0.00 N ATOM 702 CA GLU A 54 -12.055 1.300 -0.533 1.00 0.00 C ATOM 703 C GLU A 54 -12.298 -0.057 0.124 1.00 0.00 C ATOM 704 O GLU A 54 -13.195 -0.787 -0.247 1.00 0.00 O ATOM 705 CB GLU A 54 -11.297 1.106 -1.841 1.00 0.00 C ATOM 706 CG GLU A 54 -11.297 2.420 -2.627 1.00 0.00 C ATOM 707 CD GLU A 54 -12.690 2.670 -3.210 1.00 0.00 C ATOM 708 OE1 GLU A 54 -12.939 2.221 -4.314 1.00 0.00 O ATOM 709 OE2 GLU A 54 -13.482 3.312 -2.540 1.00 0.00 O ATOM 0 H GLU A 54 -10.286 2.319 0.088 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.010 1.784 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.274 0.791 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.763 0.316 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.011 3.245 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.559 2.376 -3.428 1.00 0.00 H new ATOM 716 N LEU A 55 -11.506 -0.398 1.101 1.00 0.00 N ATOM 717 CA LEU A 55 -11.693 -1.706 1.787 1.00 0.00 C ATOM 718 C LEU A 55 -13.083 -1.726 2.428 1.00 0.00 C ATOM 719 O LEU A 55 -13.813 -2.692 2.335 1.00 0.00 O ATOM 720 CB LEU A 55 -10.606 -1.868 2.865 1.00 0.00 C ATOM 721 CG LEU A 55 -10.312 -3.355 3.142 1.00 0.00 C ATOM 722 CD1 LEU A 55 -11.608 -4.095 3.488 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.644 -4.019 1.918 1.00 0.00 C ATOM 0 H LEU A 55 -10.738 0.172 1.454 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.611 -2.528 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.693 -1.368 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.928 -1.381 3.785 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.627 -3.414 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.387 -5.145 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.056 -3.649 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.304 -4.019 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.446 -5.068 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.309 -3.947 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.706 -3.511 1.695 1.00 0.00 H new ATOM 735 N PHE A 56 -13.456 -0.656 3.074 1.00 0.00 N ATOM 736 CA PHE A 56 -14.798 -0.595 3.725 1.00 0.00 C ATOM 737 C PHE A 56 -15.824 -0.051 2.732 1.00 0.00 C ATOM 738 O PHE A 56 -16.981 0.129 3.058 1.00 0.00 O ATOM 739 CB PHE A 56 -14.724 0.325 4.944 1.00 0.00 C ATOM 740 CG PHE A 56 -13.942 -0.367 6.031 1.00 0.00 C ATOM 741 CD1 PHE A 56 -12.551 -0.229 6.085 1.00 0.00 C ATOM 742 CD2 PHE A 56 -14.605 -1.153 6.981 1.00 0.00 C ATOM 743 CE1 PHE A 56 -11.821 -0.878 7.088 1.00 0.00 C ATOM 744 CE2 PHE A 56 -13.876 -1.801 7.986 1.00 0.00 C ATOM 745 CZ PHE A 56 -12.483 -1.663 8.039 1.00 0.00 C ATOM 0 H PHE A 56 -12.887 0.184 3.180 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.099 -1.594 4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.245 1.267 4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -15.727 0.566 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.040 0.378 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.679 -1.260 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.747 -0.773 7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -14.387 -2.407 8.720 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.920 -2.162 8.814 1.00 0.00 H new ATOM 755 N SER A 57 -15.415 0.210 1.519 1.00 0.00 N ATOM 756 CA SER A 57 -16.376 0.740 0.508 1.00 0.00 C ATOM 757 C SER A 57 -15.924 0.335 -0.898 1.00 0.00 C ATOM 758 O SER A 57 -15.478 1.153 -1.678 1.00 0.00 O ATOM 759 CB SER A 57 -16.437 2.264 0.611 1.00 0.00 C ATOM 760 OG SER A 57 -17.155 2.626 1.786 1.00 0.00 O ATOM 0 H SER A 57 -14.460 0.080 1.185 1.00 0.00 H new ATOM 0 HA SER A 57 -17.366 0.325 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.430 2.679 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.925 2.681 -0.270 1.00 0.00 H new ATOM 0 HG SER A 57 -17.320 1.826 2.328 1.00 0.00 H new ATOM 766 N GLY A 58 -16.051 -0.924 -1.232 1.00 0.00 N ATOM 767 CA GLY A 58 -15.646 -1.393 -2.593 1.00 0.00 C ATOM 768 C GLY A 58 -16.868 -1.351 -3.510 1.00 0.00 C ATOM 769 O GLY A 58 -17.915 -1.874 -3.178 1.00 0.00 O ATOM 0 H GLY A 58 -16.419 -1.651 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.853 -0.759 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.248 -2.406 -2.540 1.00 0.00 H new ATOM 773 N HIS A 59 -16.749 -0.725 -4.653 1.00 0.00 N ATOM 774 CA HIS A 59 -17.908 -0.628 -5.598 1.00 0.00 C ATOM 775 C HIS A 59 -19.194 -0.335 -4.816 1.00 0.00 C ATOM 776 O HIS A 59 -20.273 -0.271 -5.373 1.00 0.00 O ATOM 777 CB HIS A 59 -18.067 -1.937 -6.396 1.00 0.00 C ATOM 778 CG HIS A 59 -17.821 -3.132 -5.512 1.00 0.00 C ATOM 779 ND1 HIS A 59 -16.545 -3.611 -5.258 1.00 0.00 N ATOM 780 CD2 HIS A 59 -18.676 -3.968 -4.836 1.00 0.00 C ATOM 781 CE1 HIS A 59 -16.667 -4.690 -4.464 1.00 0.00 C ATOM 782 NE2 HIS A 59 -17.944 -4.951 -4.176 1.00 0.00 N ATOM 0 H HIS A 59 -15.894 -0.273 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.719 0.185 -6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.070 -1.991 -6.819 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.368 -1.947 -7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -19.752 -3.877 -4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.833 -5.274 -4.103 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -18.306 -5.708 -3.597 1.00 0.00 H new TER 790 HIS A 59