USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.372 K(o=-0.37,f=-3.1!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.535 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= -0.884 (180deg=-1.03) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.9!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 52 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 53 SER OG : rot 12:sc= -1.56 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0818 K(o=-0.082,f=-0.61) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.7! C(o=-4.2!,f=-3.7!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0209 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.385 -12.956 0.504 1.00 0.00 N ATOM 20 CA ALA A 3 -1.709 -13.115 -0.903 1.00 0.00 C ATOM 21 C ALA A 3 -0.420 -13.074 -1.726 1.00 0.00 C ATOM 22 O ALA A 3 -0.244 -13.867 -2.650 1.00 0.00 O ATOM 23 CB ALA A 3 -2.704 -12.032 -1.323 1.00 0.00 C ATOM 0 HA ALA A 3 -2.183 -14.080 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.947 -12.151 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.613 -12.123 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.262 -11.049 -1.161 1.00 0.00 H new ATOM 29 N GLY A 4 0.448 -12.143 -1.361 1.00 0.00 N ATOM 30 CA GLY A 4 1.716 -11.988 -2.054 1.00 0.00 C ATOM 31 C GLY A 4 2.340 -10.622 -1.759 1.00 0.00 C ATOM 32 O GLY A 4 1.988 -9.976 -0.774 1.00 0.00 O ATOM 0 H GLY A 4 0.299 -11.488 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.401 -12.778 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.563 -12.098 -3.128 1.00 0.00 H new ATOM 36 N LYS A 5 3.255 -10.225 -2.631 1.00 0.00 N ATOM 37 CA LYS A 5 3.931 -8.948 -2.475 1.00 0.00 C ATOM 38 C LYS A 5 3.255 -7.906 -3.370 1.00 0.00 C ATOM 39 O LYS A 5 3.213 -8.064 -4.589 1.00 0.00 O ATOM 40 CB LYS A 5 5.430 -9.101 -2.734 1.00 0.00 C ATOM 41 CG LYS A 5 6.109 -9.865 -1.596 1.00 0.00 C ATOM 42 CD LYS A 5 7.476 -10.397 -2.029 1.00 0.00 C ATOM 43 CE LYS A 5 7.333 -11.705 -2.810 1.00 0.00 C ATOM 44 NZ LYS A 5 8.560 -12.522 -2.682 1.00 0.00 N ATOM 0 H LYS A 5 3.544 -10.764 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 5 3.843 -8.593 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.588 -9.628 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.887 -8.117 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.227 -9.209 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.475 -10.694 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.980 -9.654 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.102 -10.560 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.475 -12.266 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.141 -11.489 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.446 -13.406 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.371 -11.991 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.726 -12.744 -1.680 1.00 0.00 H new ATOM 58 N PHE A 6 2.745 -6.865 -2.729 1.00 0.00 N ATOM 59 CA PHE A 6 2.074 -5.797 -3.452 1.00 0.00 C ATOM 60 C PHE A 6 2.905 -4.514 -3.430 1.00 0.00 C ATOM 61 O PHE A 6 3.783 -4.352 -2.584 1.00 0.00 O ATOM 62 CB PHE A 6 0.744 -5.542 -2.738 1.00 0.00 C ATOM 63 CG PHE A 6 -0.197 -6.749 -2.725 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.158 -7.879 -2.059 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.387 -6.690 -3.380 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.716 -9.000 -2.045 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.260 -7.810 -3.367 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.906 -8.941 -2.700 1.00 0.00 C ATOM 0 H PHE A 6 2.783 -6.738 -1.718 1.00 0.00 H new ATOM 0 HA PHE A 6 1.929 -6.086 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.947 -5.241 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.239 -4.706 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.104 -7.925 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.668 -5.792 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.435 -9.898 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.205 -7.764 -3.887 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.570 -9.793 -2.691 1.00 0.00 H new ATOM 78 N ILE A 7 2.599 -3.633 -4.371 1.00 0.00 N ATOM 79 CA ILE A 7 3.308 -2.368 -4.471 1.00 0.00 C ATOM 80 C ILE A 7 2.314 -1.258 -4.817 1.00 0.00 C ATOM 81 O ILE A 7 1.805 -1.201 -5.935 1.00 0.00 O ATOM 82 CB ILE A 7 4.471 -2.482 -5.460 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.297 -3.696 -6.373 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.813 -2.504 -4.726 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.071 -3.514 -7.681 1.00 0.00 C ATOM 0 H ILE A 7 1.870 -3.770 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 7 3.758 -2.107 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 7 4.466 -1.598 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.646 -4.593 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.239 -3.844 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.623 -2.586 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.930 -1.584 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.844 -3.358 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.930 -4.391 -8.312 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.703 -2.630 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.132 -3.391 -7.462 1.00 0.00 H new ATOM 97 N VAL A 8 2.067 -0.402 -3.836 1.00 0.00 N ATOM 98 CA VAL A 8 1.143 0.703 -4.022 1.00 0.00 C ATOM 99 C VAL A 8 1.923 2.019 -4.026 1.00 0.00 C ATOM 100 O VAL A 8 3.095 2.052 -3.652 1.00 0.00 O ATOM 101 CB VAL A 8 0.051 0.660 -2.950 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.251 -0.782 -2.536 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.438 1.509 -1.739 1.00 0.00 C ATOM 0 H VAL A 8 2.491 -0.452 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 8 0.639 0.620 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.857 1.084 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.030 -0.786 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.590 -1.346 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.652 -1.242 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.355 1.461 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.365 1.129 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.581 2.544 -2.051 1.00 0.00 H new ATOM 113 N ILE A 9 1.242 3.073 -4.454 1.00 0.00 N ATOM 114 CA ILE A 9 1.857 4.388 -4.511 1.00 0.00 C ATOM 115 C ILE A 9 0.849 5.439 -4.044 1.00 0.00 C ATOM 116 O ILE A 9 -0.353 5.176 -4.003 1.00 0.00 O ATOM 117 CB ILE A 9 2.420 4.655 -5.909 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.948 4.752 -5.875 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.780 5.898 -6.530 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.589 3.389 -6.138 1.00 0.00 C ATOM 0 H ILE A 9 0.271 3.042 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 9 2.709 4.440 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 9 2.165 3.809 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.287 5.468 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.271 5.129 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.198 6.065 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.703 5.751 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.983 6.765 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.674 3.486 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.267 2.682 -5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.284 3.027 -7.120 1.00 0.00 H new ATOM 132 N PHE A 10 1.373 6.606 -3.703 1.00 0.00 N ATOM 133 CA PHE A 10 0.534 7.699 -3.240 1.00 0.00 C ATOM 134 C PHE A 10 0.744 8.951 -4.093 1.00 0.00 C ATOM 135 O PHE A 10 1.874 9.289 -4.440 1.00 0.00 O ATOM 136 CB PHE A 10 0.948 8.002 -1.799 1.00 0.00 C ATOM 137 CG PHE A 10 1.175 6.755 -0.942 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.114 6.009 -0.531 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.438 6.392 -0.590 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.326 4.852 0.264 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.649 5.236 0.206 1.00 0.00 C ATOM 142 CZ PHE A 10 1.588 4.489 0.617 1.00 0.00 C ATOM 0 H PHE A 10 2.370 6.820 -3.738 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.516 7.417 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.864 8.593 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.178 8.616 -1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.889 6.297 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.280 6.984 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.516 4.259 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.652 4.949 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.748 3.609 1.223 1.00 0.00 H new ATOM 152 N LYS A 11 -0.365 9.607 -4.406 1.00 0.00 N ATOM 153 CA LYS A 11 -0.317 10.816 -5.212 1.00 0.00 C ATOM 154 C LYS A 11 0.734 11.766 -4.634 1.00 0.00 C ATOM 155 O LYS A 11 1.349 11.470 -3.612 1.00 0.00 O ATOM 156 CB LYS A 11 -1.710 11.437 -5.330 1.00 0.00 C ATOM 157 CG LYS A 11 -2.303 11.718 -3.949 1.00 0.00 C ATOM 158 CD LYS A 11 -3.776 12.118 -4.057 1.00 0.00 C ATOM 159 CE LYS A 11 -3.933 13.434 -4.821 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.344 13.640 -5.215 1.00 0.00 N ATOM 0 H LYS A 11 -1.301 9.324 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.011 10.583 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.652 12.364 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.367 10.764 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.208 10.832 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.740 12.515 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.334 11.331 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.203 12.220 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.598 14.264 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.299 13.424 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.432 14.538 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.652 12.857 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.941 13.671 -4.364 1.00 0.00 H new ATOM 174 N ASN A 12 0.905 12.890 -5.314 1.00 0.00 N ATOM 175 CA ASN A 12 1.871 13.887 -4.882 1.00 0.00 C ATOM 176 C ASN A 12 1.168 14.922 -4.001 1.00 0.00 C ATOM 177 O ASN A 12 1.512 16.102 -4.029 1.00 0.00 O ATOM 178 CB ASN A 12 2.478 14.620 -6.079 1.00 0.00 C ATOM 179 CG ASN A 12 4.001 14.709 -5.952 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.607 14.162 -5.045 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.583 15.424 -6.910 1.00 0.00 N ATOM 0 H ASN A 12 0.391 13.133 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 12 2.662 13.376 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.216 14.099 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.056 15.623 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.596 15.541 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.016 15.855 -7.640 1.00 0.00 H new ATOM 188 N ASP A 13 0.198 14.441 -3.237 1.00 0.00 N ATOM 189 CA ASP A 13 -0.555 15.310 -2.349 1.00 0.00 C ATOM 190 C ASP A 13 -0.462 14.773 -0.919 1.00 0.00 C ATOM 191 O ASP A 13 -0.264 15.540 0.023 1.00 0.00 O ATOM 192 CB ASP A 13 -2.034 15.351 -2.743 1.00 0.00 C ATOM 193 CG ASP A 13 -2.861 16.429 -2.038 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.737 17.601 -2.456 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.597 16.057 -1.099 1.00 0.00 O ATOM 0 H ASP A 13 -0.084 13.461 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.134 16.313 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.104 15.507 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.478 14.378 -2.532 1.00 0.00 H new ATOM 200 N VAL A 14 -0.610 13.463 -0.801 1.00 0.00 N ATOM 201 CA VAL A 14 -0.544 12.815 0.498 1.00 0.00 C ATOM 202 C VAL A 14 0.551 13.475 1.337 1.00 0.00 C ATOM 203 O VAL A 14 1.518 14.008 0.794 1.00 0.00 O ATOM 204 CB VAL A 14 -0.338 11.309 0.323 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.524 11.013 -0.905 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.269 10.689 1.582 1.00 0.00 C ATOM 0 H VAL A 14 -0.776 12.831 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.484 12.940 1.035 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.315 10.853 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.655 9.936 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.034 11.404 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.498 11.488 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.405 9.618 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.234 11.152 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.399 10.854 2.427 1.00 0.00 H new ATOM 216 N SER A 15 0.365 13.417 2.648 1.00 0.00 N ATOM 217 CA SER A 15 1.326 14.003 3.567 1.00 0.00 C ATOM 218 C SER A 15 2.380 12.963 3.955 1.00 0.00 C ATOM 219 O SER A 15 2.178 11.766 3.756 1.00 0.00 O ATOM 220 CB SER A 15 0.631 14.547 4.818 1.00 0.00 C ATOM 221 OG SER A 15 0.637 13.601 5.884 1.00 0.00 O ATOM 0 H SER A 15 -0.437 12.973 3.095 1.00 0.00 H new ATOM 0 HA SER A 15 1.815 14.837 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.129 15.461 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.398 14.813 4.575 1.00 0.00 H new ATOM 0 HG SER A 15 0.186 13.985 6.665 1.00 0.00 H new ATOM 227 N GLU A 16 3.481 13.459 4.500 1.00 0.00 N ATOM 228 CA GLU A 16 4.566 12.588 4.917 1.00 0.00 C ATOM 229 C GLU A 16 4.099 11.655 6.037 1.00 0.00 C ATOM 230 O GLU A 16 4.250 10.438 5.939 1.00 0.00 O ATOM 231 CB GLU A 16 5.785 13.403 5.356 1.00 0.00 C ATOM 232 CG GLU A 16 6.916 12.487 5.828 1.00 0.00 C ATOM 233 CD GLU A 16 8.228 12.827 5.119 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.691 13.974 5.301 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.741 11.932 4.413 1.00 0.00 O ATOM 0 H GLU A 16 3.645 14.453 4.662 1.00 0.00 H new ATOM 0 HA GLU A 16 4.864 11.979 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.133 14.019 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.502 14.082 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.044 12.587 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.652 11.447 5.634 1.00 0.00 H new ATOM 242 N ASP A 17 3.539 12.261 7.073 1.00 0.00 N ATOM 243 CA ASP A 17 3.047 11.499 8.209 1.00 0.00 C ATOM 244 C ASP A 17 2.011 10.484 7.727 1.00 0.00 C ATOM 245 O ASP A 17 1.945 9.367 8.238 1.00 0.00 O ATOM 246 CB ASP A 17 2.374 12.413 9.235 1.00 0.00 C ATOM 247 CG ASP A 17 2.758 12.144 10.691 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.915 12.463 11.042 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.886 11.624 11.420 1.00 0.00 O ATOM 0 H ASP A 17 3.415 13.270 7.150 1.00 0.00 H new ATOM 0 HA ASP A 17 3.897 11.000 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.621 13.447 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.293 12.312 9.135 1.00 0.00 H new ATOM 254 N LYS A 18 1.224 10.908 6.748 1.00 0.00 N ATOM 255 CA LYS A 18 0.193 10.050 6.191 1.00 0.00 C ATOM 256 C LYS A 18 0.844 8.810 5.578 1.00 0.00 C ATOM 257 O LYS A 18 0.391 7.688 5.806 1.00 0.00 O ATOM 258 CB LYS A 18 -0.684 10.832 5.211 1.00 0.00 C ATOM 259 CG LYS A 18 -2.077 11.076 5.795 1.00 0.00 C ATOM 260 CD LYS A 18 -2.757 12.266 5.114 1.00 0.00 C ATOM 261 CE LYS A 18 -3.964 11.811 4.292 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.956 12.904 4.179 1.00 0.00 N ATOM 0 H LYS A 18 1.280 11.835 6.327 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.478 9.703 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.212 11.786 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.770 10.281 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.689 10.183 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.999 11.262 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.076 12.987 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.043 12.776 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.639 11.502 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.424 10.941 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.769 12.578 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.279 13.180 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.518 13.723 3.711 1.00 0.00 H new ATOM 276 N ILE A 19 1.898 9.051 4.811 1.00 0.00 N ATOM 277 CA ILE A 19 2.616 7.966 4.164 1.00 0.00 C ATOM 278 C ILE A 19 3.041 6.941 5.216 1.00 0.00 C ATOM 279 O ILE A 19 2.673 5.771 5.134 1.00 0.00 O ATOM 280 CB ILE A 19 3.779 8.514 3.334 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.576 8.224 1.846 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.118 7.977 3.845 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.550 9.035 0.990 1.00 0.00 C ATOM 0 H ILE A 19 2.272 9.981 4.623 1.00 0.00 H new ATOM 0 HA ILE A 19 1.967 7.447 3.459 1.00 0.00 H new ATOM 0 HB ILE A 19 3.800 9.598 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.719 7.160 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.551 8.463 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.928 8.382 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.258 8.277 4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.123 6.889 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.384 8.809 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.388 10.099 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.574 8.776 1.259 1.00 0.00 H new ATOM 295 N ARG A 20 3.812 7.418 6.184 1.00 0.00 N ATOM 296 CA ARG A 20 4.292 6.559 7.252 1.00 0.00 C ATOM 297 C ARG A 20 3.114 5.895 7.968 1.00 0.00 C ATOM 298 O ARG A 20 3.234 4.774 8.460 1.00 0.00 O ATOM 299 CB ARG A 20 5.117 7.350 8.268 1.00 0.00 C ATOM 300 CG ARG A 20 6.403 7.884 7.633 1.00 0.00 C ATOM 301 CD ARG A 20 7.613 7.055 8.066 1.00 0.00 C ATOM 302 NE ARG A 20 8.510 7.873 8.913 1.00 0.00 N ATOM 303 CZ ARG A 20 9.720 7.474 9.331 1.00 0.00 C ATOM 304 NH1 ARG A 20 10.184 6.266 8.983 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.464 8.283 10.097 1.00 0.00 N ATOM 0 H ARG A 20 4.116 8.390 6.250 1.00 0.00 H new ATOM 0 HA ARG A 20 4.927 5.795 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.526 8.180 8.654 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.364 6.712 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.313 7.862 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.549 8.925 7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.283 6.174 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.153 6.699 7.189 1.00 0.00 H new ATOM 0 HE ARG A 20 8.187 8.798 9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.617 5.650 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.104 5.962 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.110 9.202 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.384 7.980 10.415 1.00 0.00 H new ATOM 319 N GLU A 21 2.003 6.615 8.004 1.00 0.00 N ATOM 320 CA GLU A 21 0.804 6.110 8.652 1.00 0.00 C ATOM 321 C GLU A 21 0.251 4.908 7.884 1.00 0.00 C ATOM 322 O GLU A 21 0.257 3.787 8.389 1.00 0.00 O ATOM 323 CB GLU A 21 -0.253 7.208 8.785 1.00 0.00 C ATOM 324 CG GLU A 21 0.051 8.121 9.975 1.00 0.00 C ATOM 325 CD GLU A 21 -1.127 8.159 10.951 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.253 8.409 10.470 1.00 0.00 O ATOM 327 OE2 GLU A 21 -0.873 7.938 12.154 1.00 0.00 O ATOM 0 H GLU A 21 1.907 7.544 7.595 1.00 0.00 H new ATOM 0 HA GLU A 21 1.070 5.784 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.287 7.798 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.237 6.757 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.944 7.767 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.266 9.129 9.619 1.00 0.00 H new ATOM 334 N THR A 22 -0.214 5.183 6.674 1.00 0.00 N ATOM 335 CA THR A 22 -0.770 4.138 5.830 1.00 0.00 C ATOM 336 C THR A 22 0.040 2.848 5.977 1.00 0.00 C ATOM 337 O THR A 22 -0.521 1.754 5.958 1.00 0.00 O ATOM 338 CB THR A 22 -0.818 4.665 4.395 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.917 5.573 4.396 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.227 3.587 3.389 1.00 0.00 C ATOM 0 H THR A 22 -0.217 6.114 6.258 1.00 0.00 H new ATOM 0 HA THR A 22 -1.786 3.884 6.132 1.00 0.00 H new ATOM 0 HB THR A 22 0.159 5.065 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.020 5.963 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.245 4.013 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.509 2.768 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.218 3.211 3.642 1.00 0.00 H new ATOM 348 N LYS A 23 1.347 3.020 6.119 1.00 0.00 N ATOM 349 CA LYS A 23 2.239 1.883 6.269 1.00 0.00 C ATOM 350 C LYS A 23 1.960 1.193 7.606 1.00 0.00 C ATOM 351 O LYS A 23 1.636 0.007 7.640 1.00 0.00 O ATOM 352 CB LYS A 23 3.695 2.319 6.093 1.00 0.00 C ATOM 353 CG LYS A 23 4.258 1.828 4.757 1.00 0.00 C ATOM 354 CD LYS A 23 3.926 2.808 3.630 1.00 0.00 C ATOM 355 CE LYS A 23 4.816 4.050 3.704 1.00 0.00 C ATOM 356 NZ LYS A 23 5.663 4.152 2.495 1.00 0.00 N ATOM 0 H LYS A 23 1.809 3.929 6.133 1.00 0.00 H new ATOM 0 HA LYS A 23 2.054 1.147 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.761 3.406 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.297 1.926 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.339 1.710 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.846 0.846 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.059 2.318 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.879 3.102 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.198 4.943 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.445 4.002 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.186 5.051 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.336 3.360 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.063 4.117 1.647 1.00 0.00 H new ATOM 370 N ASP A 24 2.095 1.966 8.673 1.00 0.00 N ATOM 371 CA ASP A 24 1.861 1.443 10.009 1.00 0.00 C ATOM 372 C ASP A 24 0.424 0.927 10.106 1.00 0.00 C ATOM 373 O ASP A 24 0.173 -0.100 10.734 1.00 0.00 O ATOM 374 CB ASP A 24 2.042 2.535 11.066 1.00 0.00 C ATOM 375 CG ASP A 24 3.383 2.504 11.803 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.723 1.418 12.319 1.00 0.00 O ATOM 377 OD2 ASP A 24 4.038 3.569 11.833 1.00 0.00 O ATOM 0 H ASP A 24 2.363 2.950 8.640 1.00 0.00 H new ATOM 0 HA ASP A 24 2.579 0.643 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.931 3.507 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.240 2.448 11.798 1.00 0.00 H new ATOM 382 N GLU A 25 -0.479 1.661 9.473 1.00 0.00 N ATOM 383 CA GLU A 25 -1.883 1.289 9.480 1.00 0.00 C ATOM 384 C GLU A 25 -2.055 -0.145 8.974 1.00 0.00 C ATOM 385 O GLU A 25 -2.879 -0.896 9.493 1.00 0.00 O ATOM 386 CB GLU A 25 -2.713 2.267 8.647 1.00 0.00 C ATOM 387 CG GLU A 25 -3.177 3.453 9.496 1.00 0.00 C ATOM 388 CD GLU A 25 -4.703 3.558 9.503 1.00 0.00 C ATOM 389 OE1 GLU A 25 -5.292 3.357 8.419 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.248 3.838 10.593 1.00 0.00 O ATOM 0 H GLU A 25 -0.266 2.511 8.952 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.246 1.337 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.121 2.627 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.579 1.752 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.812 3.339 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.747 4.375 9.105 1.00 0.00 H new ATOM 397 N VAL A 26 -1.264 -0.482 7.967 1.00 0.00 N ATOM 398 CA VAL A 26 -1.318 -1.813 7.385 1.00 0.00 C ATOM 399 C VAL A 26 -0.623 -2.803 8.322 1.00 0.00 C ATOM 400 O VAL A 26 -1.077 -3.935 8.482 1.00 0.00 O ATOM 401 CB VAL A 26 -0.713 -1.794 5.980 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.689 -2.407 5.978 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.625 -2.509 4.981 1.00 0.00 C ATOM 0 H VAL A 26 -0.582 0.143 7.538 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.352 -2.141 7.275 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.624 -0.753 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.096 -2.381 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.336 -1.837 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.635 -3.440 6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.172 -2.481 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.760 -3.546 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.594 -2.010 4.951 1.00 0.00 H new ATOM 413 N ILE A 27 0.468 -2.341 8.916 1.00 0.00 N ATOM 414 CA ILE A 27 1.230 -3.172 9.832 1.00 0.00 C ATOM 415 C ILE A 27 0.319 -3.635 10.971 1.00 0.00 C ATOM 416 O ILE A 27 0.254 -4.826 11.273 1.00 0.00 O ATOM 417 CB ILE A 27 2.483 -2.435 10.308 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.326 -1.962 9.122 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.292 -3.298 11.278 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.408 -2.987 8.776 1.00 0.00 C ATOM 0 H ILE A 27 0.842 -1.402 8.780 1.00 0.00 H new ATOM 0 HA ILE A 27 1.589 -4.068 9.325 1.00 0.00 H new ATOM 0 HB ILE A 27 2.168 -1.546 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.684 -1.799 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.790 -1.004 9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.177 -2.750 11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.679 -3.542 12.146 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.597 -4.218 10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.993 -2.627 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.063 -3.129 9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.940 -3.936 8.516 1.00 0.00 H new ATOM 432 N ALA A 28 -0.362 -2.670 11.572 1.00 0.00 N ATOM 433 CA ALA A 28 -1.266 -2.964 12.670 1.00 0.00 C ATOM 434 C ALA A 28 -2.488 -3.713 12.134 1.00 0.00 C ATOM 435 O ALA A 28 -2.973 -4.652 12.765 1.00 0.00 O ATOM 436 CB ALA A 28 -1.645 -1.664 13.382 1.00 0.00 C ATOM 0 H ALA A 28 -0.305 -1.684 11.319 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.781 -3.608 13.404 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.323 -1.885 14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.746 -1.186 13.771 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.136 -0.993 12.677 1.00 0.00 H new ATOM 442 N GLU A 29 -2.950 -3.270 10.973 1.00 0.00 N ATOM 443 CA GLU A 29 -4.106 -3.886 10.345 1.00 0.00 C ATOM 444 C GLU A 29 -3.820 -5.356 10.033 1.00 0.00 C ATOM 445 O GLU A 29 -4.389 -6.249 10.659 1.00 0.00 O ATOM 446 CB GLU A 29 -4.512 -3.127 9.080 1.00 0.00 C ATOM 447 CG GLU A 29 -5.739 -3.766 8.426 1.00 0.00 C ATOM 448 CD GLU A 29 -5.413 -4.261 7.015 1.00 0.00 C ATOM 449 OE1 GLU A 29 -4.255 -4.688 6.818 1.00 0.00 O ATOM 450 OE2 GLU A 29 -6.329 -4.199 6.167 1.00 0.00 O ATOM 0 H GLU A 29 -2.545 -2.493 10.452 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.942 -3.838 11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.728 -2.088 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.682 -3.120 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.088 -4.599 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.551 -3.041 8.382 1.00 0.00 H new ATOM 457 N GLY A 30 -2.939 -5.563 9.065 1.00 0.00 N ATOM 458 CA GLY A 30 -2.571 -6.909 8.663 1.00 0.00 C ATOM 459 C GLY A 30 -1.313 -6.897 7.794 1.00 0.00 C ATOM 460 O GLY A 30 -0.264 -7.389 8.206 1.00 0.00 O ATOM 0 H GLY A 30 -2.469 -4.820 8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.400 -7.523 9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.393 -7.365 8.112 1.00 0.00 H new ATOM 464 N GLY A 31 -1.458 -6.330 6.606 1.00 0.00 N ATOM 465 CA GLY A 31 -0.347 -6.246 5.674 1.00 0.00 C ATOM 466 C GLY A 31 0.950 -5.880 6.399 1.00 0.00 C ATOM 467 O GLY A 31 0.918 -5.413 7.537 1.00 0.00 O ATOM 0 H GLY A 31 -2.330 -5.923 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.225 -7.200 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.564 -5.499 4.910 1.00 0.00 H new ATOM 471 N THR A 32 2.059 -6.103 5.710 1.00 0.00 N ATOM 472 CA THR A 32 3.364 -5.802 6.274 1.00 0.00 C ATOM 473 C THR A 32 4.200 -4.991 5.282 1.00 0.00 C ATOM 474 O THR A 32 3.877 -4.931 4.096 1.00 0.00 O ATOM 475 CB THR A 32 4.019 -7.122 6.683 1.00 0.00 C ATOM 476 OG1 THR A 32 3.142 -8.120 6.166 1.00 0.00 O ATOM 477 CG2 THR A 32 3.988 -7.347 8.196 1.00 0.00 C ATOM 0 H THR A 32 2.081 -6.489 4.766 1.00 0.00 H new ATOM 0 HA THR A 32 3.275 -5.178 7.163 1.00 0.00 H new ATOM 0 HB THR A 32 5.052 -7.138 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.492 -9.009 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.466 -8.298 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.522 -6.539 8.695 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.954 -7.365 8.540 1.00 0.00 H new ATOM 485 N ILE A 33 5.259 -4.389 5.802 1.00 0.00 N ATOM 486 CA ILE A 33 6.144 -3.585 4.977 1.00 0.00 C ATOM 487 C ILE A 33 7.558 -4.165 5.036 1.00 0.00 C ATOM 488 O ILE A 33 8.120 -4.332 6.118 1.00 0.00 O ATOM 489 CB ILE A 33 6.066 -2.113 5.385 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.616 -1.623 5.400 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.953 -1.247 4.487 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.038 -1.578 3.983 1.00 0.00 C ATOM 0 H ILE A 33 5.524 -4.442 6.785 1.00 0.00 H new ATOM 0 HA ILE A 33 5.828 -3.621 3.934 1.00 0.00 H new ATOM 0 HB ILE A 33 6.448 -2.021 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.012 -2.283 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.568 -0.630 5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.879 -0.205 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.988 -1.578 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.624 -1.340 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.007 -1.227 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.630 -0.899 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.065 -2.577 3.547 1.00 0.00 H new ATOM 504 N THR A 34 8.094 -4.457 3.860 1.00 0.00 N ATOM 505 CA THR A 34 9.431 -5.016 3.765 1.00 0.00 C ATOM 506 C THR A 34 10.391 -4.000 3.139 1.00 0.00 C ATOM 507 O THR A 34 11.578 -3.986 3.458 1.00 0.00 O ATOM 508 CB THR A 34 9.342 -6.328 2.983 1.00 0.00 C ATOM 509 OG1 THR A 34 8.759 -5.952 1.739 1.00 0.00 O ATOM 510 CG2 THR A 34 8.329 -7.303 3.589 1.00 0.00 C ATOM 0 H THR A 34 7.626 -4.317 2.965 1.00 0.00 H new ATOM 0 HA THR A 34 9.838 -5.236 4.752 1.00 0.00 H new ATOM 0 HB THR A 34 10.325 -6.798 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.666 -6.744 1.169 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.305 -8.218 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.620 -7.541 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.340 -6.845 3.591 1.00 0.00 H new ATOM 518 N ASN A 35 9.838 -3.177 2.262 1.00 0.00 N ATOM 519 CA ASN A 35 10.629 -2.161 1.588 1.00 0.00 C ATOM 520 C ASN A 35 9.733 -0.970 1.242 1.00 0.00 C ATOM 521 O ASN A 35 8.515 -1.110 1.152 1.00 0.00 O ATOM 522 CB ASN A 35 11.224 -2.699 0.287 1.00 0.00 C ATOM 523 CG ASN A 35 12.751 -2.763 0.367 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.333 -3.711 0.866 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.364 -1.703 -0.152 1.00 0.00 N ATOM 0 H ASN A 35 8.852 -3.192 2.002 1.00 0.00 H new ATOM 0 HA ASN A 35 11.437 -1.864 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.825 -3.693 0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.926 -2.060 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.383 -1.650 -0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.816 -0.943 -0.555 1.00 0.00 H new ATOM 532 N GLU A 36 10.372 0.177 1.057 1.00 0.00 N ATOM 533 CA GLU A 36 9.648 1.391 0.722 1.00 0.00 C ATOM 534 C GLU A 36 10.337 2.118 -0.433 1.00 0.00 C ATOM 535 O GLU A 36 11.474 1.800 -0.783 1.00 0.00 O ATOM 536 CB GLU A 36 9.514 2.304 1.943 1.00 0.00 C ATOM 537 CG GLU A 36 10.738 3.210 2.086 1.00 0.00 C ATOM 538 CD GLU A 36 11.983 2.398 2.446 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.476 1.684 1.545 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.415 2.508 3.613 1.00 0.00 O ATOM 0 H GLU A 36 11.383 0.290 1.133 1.00 0.00 H new ATOM 0 HA GLU A 36 8.643 1.115 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.615 2.913 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.397 1.700 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.908 3.748 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.553 3.959 2.856 1.00 0.00 H new ATOM 547 N TYR A 37 9.622 3.082 -0.995 1.00 0.00 N ATOM 548 CA TYR A 37 10.151 3.857 -2.104 1.00 0.00 C ATOM 549 C TYR A 37 10.085 5.357 -1.806 1.00 0.00 C ATOM 550 O TYR A 37 9.062 5.996 -2.043 1.00 0.00 O ATOM 551 CB TYR A 37 9.251 3.548 -3.303 1.00 0.00 C ATOM 552 CG TYR A 37 9.357 2.106 -3.804 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.563 1.625 -4.269 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.245 1.288 -3.790 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.662 0.268 -4.741 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.345 -0.068 -4.262 1.00 0.00 C ATOM 557 CZ TYR A 37 9.548 -0.512 -4.714 1.00 0.00 C ATOM 558 OH TYR A 37 9.642 -1.793 -5.160 1.00 0.00 O ATOM 0 H TYR A 37 8.681 3.344 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 37 11.194 3.601 -2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.216 3.752 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.504 4.225 -4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.433 2.265 -4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.301 1.665 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.600 -0.122 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.483 -0.719 -4.257 1.00 0.00 H new ATOM 0 HH TYR A 37 8.769 -2.232 -5.081 1.00 0.00 H new ATOM 568 N ASN A 38 11.191 5.874 -1.289 1.00 0.00 N ATOM 569 CA ASN A 38 11.270 7.286 -0.956 1.00 0.00 C ATOM 570 C ASN A 38 11.935 8.041 -2.110 1.00 0.00 C ATOM 571 O ASN A 38 13.111 8.392 -2.032 1.00 0.00 O ATOM 572 CB ASN A 38 12.114 7.508 0.301 1.00 0.00 C ATOM 573 CG ASN A 38 13.395 6.673 0.257 1.00 0.00 C ATOM 574 OD1 ASN A 38 14.047 6.542 -0.767 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.719 6.116 1.420 1.00 0.00 N ATOM 0 H ASN A 38 12.038 5.341 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 38 10.257 7.649 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.367 8.564 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.533 7.243 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.557 5.539 1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.130 6.266 2.239 1.00 0.00 H new ATOM 582 N MET A 39 11.150 8.269 -3.154 1.00 0.00 N ATOM 583 CA MET A 39 11.647 8.976 -4.321 1.00 0.00 C ATOM 584 C MET A 39 11.012 10.364 -4.434 1.00 0.00 C ATOM 585 O MET A 39 9.905 10.585 -3.945 1.00 0.00 O ATOM 586 CB MET A 39 11.331 8.166 -5.581 1.00 0.00 C ATOM 587 CG MET A 39 12.324 7.015 -5.756 1.00 0.00 C ATOM 588 SD MET A 39 13.802 7.603 -6.565 1.00 0.00 S ATOM 589 CE MET A 39 14.861 6.182 -6.344 1.00 0.00 C ATOM 0 H MET A 39 10.175 7.977 -3.215 1.00 0.00 H new ATOM 0 HA MET A 39 12.725 9.098 -4.217 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.317 7.770 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.366 8.817 -6.454 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.576 6.590 -4.784 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.870 6.218 -6.345 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.834 6.380 -6.794 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.987 5.984 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.409 5.313 -6.823 1.00 0.00 H new ATOM 599 N PRO A 40 11.760 11.285 -5.098 1.00 0.00 N ATOM 600 CA PRO A 40 11.281 12.645 -5.280 1.00 0.00 C ATOM 601 C PRO A 40 10.192 12.705 -6.354 1.00 0.00 C ATOM 602 O PRO A 40 9.364 13.613 -6.353 1.00 0.00 O ATOM 603 CB PRO A 40 12.517 13.451 -5.644 1.00 0.00 C ATOM 604 CG PRO A 40 13.554 12.440 -6.105 1.00 0.00 C ATOM 605 CD PRO A 40 13.074 11.059 -5.690 1.00 0.00 C ATOM 0 HA PRO A 40 10.807 13.047 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.296 14.170 -6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.879 14.019 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.682 12.491 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.524 12.657 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.012 10.388 -6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.757 10.601 -4.975 1.00 0.00 H new ATOM 613 N GLY A 41 10.230 11.723 -7.244 1.00 0.00 N ATOM 614 CA GLY A 41 9.256 11.652 -8.320 1.00 0.00 C ATOM 615 C GLY A 41 8.233 10.544 -8.062 1.00 0.00 C ATOM 616 O GLY A 41 7.231 10.444 -8.768 1.00 0.00 O ATOM 0 H GLY A 41 10.919 10.971 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.744 12.609 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.766 11.468 -9.265 1.00 0.00 H new ATOM 620 N MET A 42 8.521 9.742 -7.047 1.00 0.00 N ATOM 621 CA MET A 42 7.638 8.645 -6.687 1.00 0.00 C ATOM 622 C MET A 42 7.583 8.461 -5.170 1.00 0.00 C ATOM 623 O MET A 42 8.590 8.631 -4.483 1.00 0.00 O ATOM 624 CB MET A 42 8.135 7.354 -7.340 1.00 0.00 C ATOM 625 CG MET A 42 7.040 6.285 -7.344 1.00 0.00 C ATOM 626 SD MET A 42 6.683 5.782 -9.019 1.00 0.00 S ATOM 627 CE MET A 42 7.610 4.258 -9.089 1.00 0.00 C ATOM 0 H MET A 42 9.353 9.830 -6.463 1.00 0.00 H new ATOM 0 HA MET A 42 6.635 8.880 -7.042 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.453 7.558 -8.363 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.008 6.983 -6.803 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.359 5.424 -6.757 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.138 6.675 -6.873 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.496 3.808 -10.075 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.664 4.464 -8.904 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.236 3.570 -8.331 1.00 0.00 H new ATOM 637 N LYS A 43 6.397 8.119 -4.689 1.00 0.00 N ATOM 638 CA LYS A 43 6.198 7.910 -3.265 1.00 0.00 C ATOM 639 C LYS A 43 5.300 6.689 -3.054 1.00 0.00 C ATOM 640 O LYS A 43 4.076 6.810 -3.036 1.00 0.00 O ATOM 641 CB LYS A 43 5.667 9.185 -2.606 1.00 0.00 C ATOM 642 CG LYS A 43 6.807 10.157 -2.295 1.00 0.00 C ATOM 643 CD LYS A 43 7.419 9.863 -0.925 1.00 0.00 C ATOM 644 CE LYS A 43 8.187 11.077 -0.396 1.00 0.00 C ATOM 645 NZ LYS A 43 9.111 10.673 0.688 1.00 0.00 N ATOM 0 H LYS A 43 5.563 7.981 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 43 7.148 7.697 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.944 9.666 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.140 8.931 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.575 10.080 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.433 11.181 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.632 9.591 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.090 9.007 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.749 11.541 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.486 11.825 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.624 11.508 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.568 10.251 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.791 9.976 0.323 1.00 0.00 H new ATOM 659 N GLY A 44 5.945 5.542 -2.897 1.00 0.00 N ATOM 660 CA GLY A 44 5.220 4.299 -2.687 1.00 0.00 C ATOM 661 C GLY A 44 6.002 3.357 -1.769 1.00 0.00 C ATOM 662 O GLY A 44 7.011 3.749 -1.186 1.00 0.00 O ATOM 0 H GLY A 44 6.960 5.447 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.245 4.512 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.040 3.812 -3.646 1.00 0.00 H new ATOM 666 N PHE A 45 5.506 2.132 -1.671 1.00 0.00 N ATOM 667 CA PHE A 45 6.146 1.131 -0.835 1.00 0.00 C ATOM 668 C PHE A 45 5.793 -0.281 -1.304 1.00 0.00 C ATOM 669 O PHE A 45 4.842 -0.469 -2.061 1.00 0.00 O ATOM 670 CB PHE A 45 5.615 1.331 0.587 1.00 0.00 C ATOM 671 CG PHE A 45 4.194 0.806 0.800 1.00 0.00 C ATOM 672 CD1 PHE A 45 3.995 -0.490 1.160 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.130 1.636 0.630 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.676 -0.978 1.358 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.811 1.149 0.828 1.00 0.00 C ATOM 676 CZ PHE A 45 1.612 -0.148 1.188 1.00 0.00 C ATOM 0 H PHE A 45 4.669 1.810 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 45 7.229 1.241 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.285 0.832 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.638 2.394 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.840 -1.149 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.288 2.665 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.518 -2.008 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.966 1.808 0.693 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.609 -0.519 1.339 1.00 0.00 H new ATOM 686 N ALA A 46 6.578 -1.240 -0.834 1.00 0.00 N ATOM 687 CA ALA A 46 6.361 -2.630 -1.196 1.00 0.00 C ATOM 688 C ALA A 46 6.389 -3.492 0.068 1.00 0.00 C ATOM 689 O ALA A 46 7.088 -3.170 1.027 1.00 0.00 O ATOM 690 CB ALA A 46 7.412 -3.062 -2.220 1.00 0.00 C ATOM 0 H ALA A 46 7.365 -1.081 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 46 5.383 -2.757 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.249 -4.105 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.330 -2.439 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.407 -2.951 -1.789 1.00 0.00 H new ATOM 696 N GLY A 47 5.623 -4.571 0.026 1.00 0.00 N ATOM 697 CA GLY A 47 5.552 -5.483 1.156 1.00 0.00 C ATOM 698 C GLY A 47 4.509 -6.576 0.914 1.00 0.00 C ATOM 699 O GLY A 47 4.162 -6.867 -0.231 1.00 0.00 O ATOM 0 H GLY A 47 5.046 -4.835 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.528 -5.938 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.300 -4.929 2.060 1.00 0.00 H new ATOM 703 N GLU A 48 4.038 -7.153 2.009 1.00 0.00 N ATOM 704 CA GLU A 48 3.042 -8.208 1.931 1.00 0.00 C ATOM 705 C GLU A 48 1.646 -7.642 2.199 1.00 0.00 C ATOM 706 O GLU A 48 1.410 -7.032 3.241 1.00 0.00 O ATOM 707 CB GLU A 48 3.369 -9.345 2.902 1.00 0.00 C ATOM 708 CG GLU A 48 4.023 -10.519 2.172 1.00 0.00 C ATOM 709 CD GLU A 48 3.056 -11.699 2.054 1.00 0.00 C ATOM 710 OE1 GLU A 48 3.037 -12.513 3.002 1.00 0.00 O ATOM 711 OE2 GLU A 48 2.358 -11.759 1.018 1.00 0.00 O ATOM 0 H GLU A 48 4.328 -6.910 2.956 1.00 0.00 H new ATOM 0 HA GLU A 48 3.057 -8.621 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.037 -8.980 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.456 -9.681 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.340 -10.203 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.919 -10.831 2.708 1.00 0.00 H new ATOM 718 N LEU A 49 0.758 -7.865 1.241 1.00 0.00 N ATOM 719 CA LEU A 49 -0.608 -7.384 1.361 1.00 0.00 C ATOM 720 C LEU A 49 -1.575 -8.537 1.087 1.00 0.00 C ATOM 721 O LEU A 49 -1.160 -9.691 0.989 1.00 0.00 O ATOM 722 CB LEU A 49 -0.830 -6.168 0.460 1.00 0.00 C ATOM 723 CG LEU A 49 -0.584 -4.802 1.104 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.806 -4.738 1.741 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.803 -3.673 0.095 1.00 0.00 C ATOM 0 H LEU A 49 0.958 -8.372 0.379 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.802 -7.038 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.178 -6.261 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.856 -6.195 0.093 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.312 -4.666 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.955 -3.757 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.890 -5.506 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.565 -4.905 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.622 -2.713 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.115 -3.794 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.829 -3.707 -0.272 1.00 0.00 H new ATOM 737 N THR A 50 -2.847 -8.185 0.971 1.00 0.00 N ATOM 738 CA THR A 50 -3.878 -9.176 0.711 1.00 0.00 C ATOM 739 C THR A 50 -5.020 -8.558 -0.097 1.00 0.00 C ATOM 740 O THR A 50 -4.935 -7.405 -0.518 1.00 0.00 O ATOM 741 CB THR A 50 -4.327 -9.755 2.053 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.384 -9.238 2.988 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.134 -11.271 2.131 1.00 0.00 C ATOM 0 H THR A 50 -3.187 -7.227 1.052 1.00 0.00 H new ATOM 0 HA THR A 50 -3.495 -9.994 0.100 1.00 0.00 H new ATOM 0 HB THR A 50 -5.377 -9.513 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.602 -9.563 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.468 -11.631 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.717 -11.753 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.079 -11.511 1.999 1.00 0.00 H new ATOM 751 N PRO A 51 -6.092 -9.372 -0.293 1.00 0.00 N ATOM 752 CA PRO A 51 -7.250 -8.918 -1.043 1.00 0.00 C ATOM 753 C PRO A 51 -8.096 -7.949 -0.213 1.00 0.00 C ATOM 754 O PRO A 51 -8.664 -6.999 -0.749 1.00 0.00 O ATOM 755 CB PRO A 51 -7.998 -10.186 -1.420 1.00 0.00 C ATOM 756 CG PRO A 51 -7.489 -11.265 -0.478 1.00 0.00 C ATOM 757 CD PRO A 51 -6.227 -10.743 0.191 1.00 0.00 C ATOM 0 HA PRO A 51 -6.978 -8.353 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.074 -10.051 -1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.811 -10.455 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.245 -11.507 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.278 -12.183 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.313 -10.773 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.359 -11.345 -0.077 1.00 0.00 H new ATOM 765 N GLN A 52 -8.150 -8.224 1.083 1.00 0.00 N ATOM 766 CA GLN A 52 -8.916 -7.388 1.992 1.00 0.00 C ATOM 767 C GLN A 52 -8.291 -5.996 2.087 1.00 0.00 C ATOM 768 O GLN A 52 -8.945 -4.996 1.795 1.00 0.00 O ATOM 769 CB GLN A 52 -9.023 -8.038 3.373 1.00 0.00 C ATOM 770 CG GLN A 52 -10.335 -8.814 3.514 1.00 0.00 C ATOM 771 CD GLN A 52 -10.447 -9.452 4.900 1.00 0.00 C ATOM 772 OE1 GLN A 52 -11.388 -9.226 5.642 1.00 0.00 O ATOM 773 NE2 GLN A 52 -9.437 -10.262 5.207 1.00 0.00 N ATOM 0 H GLN A 52 -7.677 -9.013 1.524 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.926 -7.283 1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.180 -8.711 3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.965 -7.271 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.178 -8.143 3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.389 -9.588 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.679 -10.408 4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.420 -10.737 6.110 1.00 0.00 H new ATOM 782 N SER A 53 -7.032 -5.974 2.499 1.00 0.00 N ATOM 783 CA SER A 53 -6.311 -4.720 2.636 1.00 0.00 C ATOM 784 C SER A 53 -6.341 -3.950 1.314 1.00 0.00 C ATOM 785 O SER A 53 -6.354 -2.721 1.308 1.00 0.00 O ATOM 786 CB SER A 53 -4.866 -4.961 3.077 1.00 0.00 C ATOM 787 OG SER A 53 -4.748 -5.057 4.494 1.00 0.00 O ATOM 0 H SER A 53 -6.493 -6.805 2.742 1.00 0.00 H new ATOM 0 HA SER A 53 -6.803 -4.126 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.496 -5.879 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.236 -4.148 2.715 1.00 0.00 H new ATOM 0 HG SER A 53 -5.640 -5.139 4.892 1.00 0.00 H new ATOM 793 N LEU A 54 -6.353 -4.707 0.227 1.00 0.00 N ATOM 794 CA LEU A 54 -6.381 -4.112 -1.098 1.00 0.00 C ATOM 795 C LEU A 54 -7.561 -3.141 -1.191 1.00 0.00 C ATOM 796 O LEU A 54 -7.376 -1.927 -1.135 1.00 0.00 O ATOM 797 CB LEU A 54 -6.393 -5.199 -2.174 1.00 0.00 C ATOM 798 CG LEU A 54 -5.058 -5.468 -2.871 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.223 -6.492 -3.996 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.427 -4.166 -3.369 1.00 0.00 C ATOM 0 H LEU A 54 -6.344 -5.727 0.237 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.475 -3.532 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.737 -6.128 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.127 -4.924 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.373 -5.899 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.259 -6.665 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.596 -7.429 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.931 -6.112 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.479 -4.386 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.100 -3.683 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.252 -3.500 -2.524 1.00 0.00 H new ATOM 812 N THR A 55 -8.748 -3.715 -1.332 1.00 0.00 N ATOM 813 CA THR A 55 -9.958 -2.915 -1.433 1.00 0.00 C ATOM 814 C THR A 55 -9.898 -1.733 -0.465 1.00 0.00 C ATOM 815 O THR A 55 -10.452 -0.670 -0.743 1.00 0.00 O ATOM 816 CB THR A 55 -11.154 -3.838 -1.193 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.029 -4.838 -2.201 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.489 -3.159 -1.506 1.00 0.00 C ATOM 0 H THR A 55 -8.897 -4.723 -1.379 1.00 0.00 H new ATOM 0 HA THR A 55 -10.061 -2.476 -2.425 1.00 0.00 H new ATOM 0 HB THR A 55 -11.151 -4.173 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.764 -5.480 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.305 -3.857 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.609 -2.282 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.505 -2.854 -2.552 1.00 0.00 H new ATOM 826 N LYS A 56 -9.222 -1.957 0.653 1.00 0.00 N ATOM 827 CA LYS A 56 -9.084 -0.924 1.664 1.00 0.00 C ATOM 828 C LYS A 56 -8.613 0.373 1.001 1.00 0.00 C ATOM 829 O LYS A 56 -9.357 1.349 0.942 1.00 0.00 O ATOM 830 CB LYS A 56 -8.172 -1.401 2.797 1.00 0.00 C ATOM 831 CG LYS A 56 -8.619 -0.822 4.141 1.00 0.00 C ATOM 832 CD LYS A 56 -8.155 0.627 4.295 1.00 0.00 C ATOM 833 CE LYS A 56 -6.630 0.724 4.234 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.156 1.914 4.977 1.00 0.00 N ATOM 0 H LYS A 56 -8.764 -2.840 0.880 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.048 -0.714 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.184 -2.490 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.144 -1.102 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.705 -0.870 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.215 -1.425 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.594 1.239 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.511 1.027 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.185 -0.177 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.305 0.783 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.119 1.965 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.566 2.772 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.450 1.842 5.972 1.00 0.00 H new ATOM 848 N PHE A 57 -7.379 0.339 0.518 1.00 0.00 N ATOM 849 CA PHE A 57 -6.801 1.498 -0.138 1.00 0.00 C ATOM 850 C PHE A 57 -7.059 1.460 -1.645 1.00 0.00 C ATOM 851 O PHE A 57 -7.361 2.486 -2.253 1.00 0.00 O ATOM 852 CB PHE A 57 -5.291 1.447 0.110 1.00 0.00 C ATOM 853 CG PHE A 57 -4.675 0.061 -0.092 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.421 -0.393 -1.348 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.380 -0.716 0.984 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.848 -1.679 -1.537 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.808 -2.002 0.797 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.554 -2.456 -0.460 1.00 0.00 C ATOM 0 H PHE A 57 -6.764 -0.473 0.568 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.248 2.410 0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.799 2.153 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.089 1.779 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.655 0.224 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.581 -0.355 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.646 -2.039 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.575 -2.619 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.119 -3.434 -0.603 1.00 0.00 H new ATOM 868 N GLN A 58 -6.929 0.267 -2.206 1.00 0.00 N ATOM 869 CA GLN A 58 -7.145 0.082 -3.631 1.00 0.00 C ATOM 870 C GLN A 58 -8.436 0.776 -4.068 1.00 0.00 C ATOM 871 O GLN A 58 -8.397 1.785 -4.771 1.00 0.00 O ATOM 872 CB GLN A 58 -7.172 -1.404 -3.993 1.00 0.00 C ATOM 873 CG GLN A 58 -6.558 -1.643 -5.374 1.00 0.00 C ATOM 874 CD GLN A 58 -7.564 -2.311 -6.314 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.753 -2.042 -6.283 1.00 0.00 O ATOM 876 NE2 GLN A 58 -7.022 -3.193 -7.148 1.00 0.00 N ATOM 0 H GLN A 58 -6.677 -0.582 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.312 0.538 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.624 -1.975 -3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.200 -1.766 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.232 -0.694 -5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.672 -2.271 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.018 -3.371 -7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.610 -3.692 -7.815 1.00 0.00 H new ATOM 885 N GLY A 59 -9.552 0.210 -3.631 1.00 0.00 N ATOM 886 CA GLY A 59 -10.853 0.761 -3.967 1.00 0.00 C ATOM 887 C GLY A 59 -10.908 2.260 -3.665 1.00 0.00 C ATOM 888 O GLY A 59 -11.738 2.979 -4.218 1.00 0.00 O ATOM 0 H GLY A 59 -9.581 -0.625 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.062 0.591 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.628 0.244 -3.402 1.00 0.00 H new ATOM 892 N LEU A 60 -10.012 2.687 -2.788 1.00 0.00 N ATOM 893 CA LEU A 60 -9.948 4.088 -2.404 1.00 0.00 C ATOM 894 C LEU A 60 -8.978 4.822 -3.333 1.00 0.00 C ATOM 895 O LEU A 60 -8.452 5.875 -2.979 1.00 0.00 O ATOM 896 CB LEU A 60 -9.599 4.221 -0.921 1.00 0.00 C ATOM 897 CG LEU A 60 -9.734 5.625 -0.325 1.00 0.00 C ATOM 898 CD1 LEU A 60 -11.199 5.962 -0.044 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.861 5.776 0.922 1.00 0.00 C ATOM 0 H LEU A 60 -9.324 2.088 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.923 4.561 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.239 3.544 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.572 3.884 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.374 6.345 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.267 6.964 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.767 5.921 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.609 5.241 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.975 6.782 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.168 5.047 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.817 5.607 0.658 1.00 0.00 H new ATOM 911 N GLN A 61 -8.773 4.235 -4.503 1.00 0.00 N ATOM 912 CA GLN A 61 -7.876 4.821 -5.486 1.00 0.00 C ATOM 913 C GLN A 61 -8.353 6.223 -5.871 1.00 0.00 C ATOM 914 O GLN A 61 -9.472 6.614 -5.544 1.00 0.00 O ATOM 915 CB GLN A 61 -7.754 3.925 -6.720 1.00 0.00 C ATOM 916 CG GLN A 61 -6.315 3.438 -6.904 1.00 0.00 C ATOM 917 CD GLN A 61 -6.282 1.962 -7.303 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.433 1.686 -8.289 1.00 0.00 O flip ATOM 919 NE2 GLN A 61 -6.982 1.128 -6.752 1.00 0.00 N flip ATOM 0 H GLN A 61 -9.212 3.361 -4.793 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.885 4.906 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.421 3.069 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.072 4.475 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.820 4.036 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.758 3.580 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.613 1.408 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.936 0.151 -7.043 1.00 0.00 H new ATOM 928 N GLY A 62 -7.480 6.942 -6.562 1.00 0.00 N ATOM 929 CA GLY A 62 -7.797 8.291 -6.995 1.00 0.00 C ATOM 930 C GLY A 62 -8.030 9.212 -5.795 1.00 0.00 C ATOM 931 O GLY A 62 -8.538 10.322 -5.948 1.00 0.00 O ATOM 0 H GLY A 62 -6.553 6.614 -6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.983 8.682 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.687 8.275 -7.624 1.00 0.00 H new ATOM 935 N ASP A 63 -7.646 8.718 -4.627 1.00 0.00 N ATOM 936 CA ASP A 63 -7.805 9.482 -3.402 1.00 0.00 C ATOM 937 C ASP A 63 -6.446 9.629 -2.717 1.00 0.00 C ATOM 938 O ASP A 63 -5.951 10.742 -2.542 1.00 0.00 O ATOM 939 CB ASP A 63 -8.750 8.773 -2.430 1.00 0.00 C ATOM 940 CG ASP A 63 -9.847 9.657 -1.833 1.00 0.00 C ATOM 941 OD1 ASP A 63 -10.751 10.040 -2.606 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.756 9.931 -0.617 1.00 0.00 O ATOM 0 H ASP A 63 -7.225 7.797 -4.503 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.220 10.455 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.220 7.937 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.160 8.352 -1.616 1.00 0.00 H new ATOM 947 N LEU A 64 -5.879 8.490 -2.347 1.00 0.00 N ATOM 948 CA LEU A 64 -4.585 8.478 -1.684 1.00 0.00 C ATOM 949 C LEU A 64 -3.673 7.463 -2.374 1.00 0.00 C ATOM 950 O LEU A 64 -2.562 7.207 -1.913 1.00 0.00 O ATOM 951 CB LEU A 64 -4.754 8.233 -0.183 1.00 0.00 C ATOM 952 CG LEU A 64 -4.992 6.781 0.237 1.00 0.00 C ATOM 953 CD1 LEU A 64 -5.902 6.064 -0.761 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.666 6.045 0.436 1.00 0.00 C ATOM 0 H LEU A 64 -6.292 7.569 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.103 9.452 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.862 8.596 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.591 8.835 0.171 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.507 6.782 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.055 5.034 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.863 6.576 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.437 6.071 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.863 5.015 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.103 6.051 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.086 6.543 1.213 1.00 0.00 H new ATOM 966 N ILE A 65 -4.177 6.909 -3.468 1.00 0.00 N ATOM 967 CA ILE A 65 -3.421 5.927 -4.227 1.00 0.00 C ATOM 968 C ILE A 65 -3.296 6.395 -5.678 1.00 0.00 C ATOM 969 O ILE A 65 -4.292 6.481 -6.394 1.00 0.00 O ATOM 970 CB ILE A 65 -4.049 4.540 -4.080 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.845 3.992 -2.666 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.515 3.582 -5.148 1.00 0.00 C ATOM 973 CD1 ILE A 65 -3.392 2.531 -2.703 1.00 0.00 C ATOM 0 H ILE A 65 -5.100 7.122 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.409 5.838 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.124 4.633 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.102 4.594 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.775 4.074 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.977 2.603 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.754 3.971 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.434 3.489 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.255 2.167 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.149 1.928 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.450 2.456 -3.246 1.00 0.00 H new ATOM 985 N ASP A 66 -2.063 6.687 -6.068 1.00 0.00 N ATOM 986 CA ASP A 66 -1.796 7.145 -7.421 1.00 0.00 C ATOM 987 C ASP A 66 -1.755 5.940 -8.363 1.00 0.00 C ATOM 988 O ASP A 66 -2.223 6.019 -9.497 1.00 0.00 O ATOM 989 CB ASP A 66 -0.443 7.855 -7.503 1.00 0.00 C ATOM 990 CG ASP A 66 -0.476 9.234 -8.166 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.597 9.775 -8.293 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.618 9.716 -8.529 1.00 0.00 O ATOM 0 H ASP A 66 -1.239 6.615 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.587 7.839 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.044 7.963 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.251 7.220 -8.054 1.00 0.00 H new ATOM 997 N SER A 67 -1.191 4.852 -7.858 1.00 0.00 N ATOM 998 CA SER A 67 -1.083 3.633 -8.641 1.00 0.00 C ATOM 999 C SER A 67 -1.023 2.419 -7.712 1.00 0.00 C ATOM 1000 O SER A 67 -0.500 2.507 -6.602 1.00 0.00 O ATOM 1001 CB SER A 67 0.146 3.669 -9.550 1.00 0.00 C ATOM 1002 OG SER A 67 0.088 4.743 -10.485 1.00 0.00 O ATOM 0 H SER A 67 -0.804 4.790 -6.916 1.00 0.00 H new ATOM 0 HA SER A 67 -1.966 3.554 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.045 3.767 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.227 2.724 -10.088 1.00 0.00 H new ATOM 0 HG SER A 67 0.892 4.732 -11.046 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.564 1.312 -8.200 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.578 0.082 -7.428 1.00 0.00 C ATOM 1010 C ILE A 68 -1.133 -1.080 -8.319 1.00 0.00 C ATOM 1011 O ILE A 68 -1.609 -1.220 -9.445 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.947 -0.130 -6.780 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.809 -0.800 -5.412 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.879 -0.909 -7.710 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.738 -0.148 -4.386 1.00 0.00 C ATOM 0 H ILE A 68 -1.996 1.242 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.868 0.143 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.401 0.847 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.043 -1.861 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.776 -0.728 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.846 -1.046 -7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.014 -0.354 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.442 -1.883 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.620 -0.643 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.485 0.907 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.772 -0.243 -4.719 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.227 -1.882 -7.783 1.00 0.00 N ATOM 1028 CA GLU A 69 0.288 -3.027 -8.516 1.00 0.00 C ATOM 1029 C GLU A 69 0.237 -4.283 -7.642 1.00 0.00 C ATOM 1030 O GLU A 69 1.244 -4.676 -7.055 1.00 0.00 O ATOM 1031 CB GLU A 69 1.710 -2.765 -9.016 1.00 0.00 C ATOM 1032 CG GLU A 69 1.922 -3.367 -10.406 1.00 0.00 C ATOM 1033 CD GLU A 69 3.255 -2.913 -11.003 1.00 0.00 C ATOM 1034 OE1 GLU A 69 3.407 -1.686 -11.185 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.091 -3.804 -11.264 1.00 0.00 O ATOM 0 H GLU A 69 0.165 -1.763 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.344 -3.189 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.896 -1.691 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.429 -3.192 -8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.900 -4.455 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.105 -3.070 -11.063 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.945 -4.876 -7.583 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.141 -6.079 -6.792 1.00 0.00 C ATOM 1044 C GLU A 70 -0.529 -7.288 -7.503 1.00 0.00 C ATOM 1045 O GLU A 70 -0.731 -7.474 -8.702 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.624 -6.308 -6.499 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.329 -6.941 -7.700 1.00 0.00 C ATOM 1048 CD GLU A 70 -3.110 -8.454 -7.730 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.403 -9.091 -6.695 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -2.654 -8.942 -8.787 1.00 0.00 O ATOM 0 H GLU A 70 -1.778 -4.546 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.632 -5.948 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.731 -6.955 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.100 -5.359 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.397 -6.725 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.953 -6.497 -8.622 1.00 0.00 H new ATOM 1057 N ASP A 71 0.206 -8.078 -6.734 1.00 0.00 N ATOM 1058 CA ASP A 71 0.847 -9.263 -7.275 1.00 0.00 C ATOM 1059 C ASP A 71 0.568 -10.455 -6.357 1.00 0.00 C ATOM 1060 O ASP A 71 1.313 -11.433 -6.359 1.00 0.00 O ATOM 1061 CB ASP A 71 2.363 -9.078 -7.360 1.00 0.00 C ATOM 1062 CG ASP A 71 3.052 -9.888 -8.461 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.630 -9.734 -9.628 1.00 0.00 O ATOM 1064 OD2 ASP A 71 3.986 -10.641 -8.111 1.00 0.00 O ATOM 0 H ASP A 71 0.372 -7.920 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 71 0.447 -9.435 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.577 -8.021 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.802 -9.351 -6.400 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.509 -10.332 -5.594 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.896 -11.387 -4.671 1.00 0.00 C ATOM 1071 C GLY A 72 -1.859 -12.372 -5.339 1.00 0.00 C ATOM 1072 O GLY A 72 -1.443 -13.199 -6.148 1.00 0.00 O ATOM 0 H GLY A 72 -1.125 -9.519 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.008 -11.917 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.369 -10.950 -3.791 1.00 0.00 H new