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 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0205 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+ -142:sc= 0 (180deg=-0.907) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 35 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.7) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.376 K(o=-0.38,f=-5.8!) 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+ -118:sc= -0.255 (180deg=-0.679) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 52 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.18) USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 55 THR OG1 : rot 97:sc= 0.401 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -6.46! C(o=-6.5!,f=-5.3!) USER MOD Single : A 61 GLN : amide:sc= -8.3! C(o=-8.3!,f=-15!) USER MOD Single : A 67 SER OG : rot 25:sc= 0.375 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -0.981 -12.990 1.033 1.00 0.00 N ATOM 20 CA ALA A 3 -1.366 -13.326 -0.327 1.00 0.00 C ATOM 21 C ALA A 3 -0.358 -12.715 -1.303 1.00 0.00 C ATOM 22 O ALA A 3 -0.740 -12.011 -2.236 1.00 0.00 O ATOM 23 CB ALA A 3 -2.794 -12.845 -0.588 1.00 0.00 C ATOM 0 HA ALA A 3 -1.354 -14.406 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.082 -13.097 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.475 -13.330 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.844 -11.764 -0.454 1.00 0.00 H new ATOM 29 N GLY A 4 0.910 -13.007 -1.053 1.00 0.00 N ATOM 30 CA GLY A 4 1.976 -12.494 -1.897 1.00 0.00 C ATOM 31 C GLY A 4 2.330 -11.054 -1.521 1.00 0.00 C ATOM 32 O GLY A 4 1.782 -10.506 -0.566 1.00 0.00 O ATOM 0 H GLY A 4 1.223 -13.592 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.858 -13.126 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.669 -12.535 -2.942 1.00 0.00 H new ATOM 36 N LYS A 5 3.244 -10.482 -2.293 1.00 0.00 N ATOM 37 CA LYS A 5 3.677 -9.117 -2.052 1.00 0.00 C ATOM 38 C LYS A 5 2.973 -8.182 -3.038 1.00 0.00 C ATOM 39 O LYS A 5 2.545 -8.611 -4.109 1.00 0.00 O ATOM 40 CB LYS A 5 5.203 -9.023 -2.100 1.00 0.00 C ATOM 41 CG LYS A 5 5.735 -9.416 -3.480 1.00 0.00 C ATOM 42 CD LYS A 5 6.855 -8.474 -3.926 1.00 0.00 C ATOM 43 CE LYS A 5 6.765 -8.186 -5.425 1.00 0.00 C ATOM 44 NZ LYS A 5 7.685 -9.067 -6.179 1.00 0.00 N ATOM 0 H LYS A 5 3.696 -10.940 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 5 3.392 -8.798 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.516 -8.006 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.635 -9.675 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.106 -10.440 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.923 -9.391 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.793 -7.540 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.823 -8.919 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.742 -8.338 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.014 -7.142 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.611 -8.858 -7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.662 -8.902 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.430 -10.061 -6.011 1.00 0.00 H new ATOM 58 N PHE A 6 2.872 -6.922 -2.641 1.00 0.00 N ATOM 59 CA PHE A 6 2.227 -5.923 -3.476 1.00 0.00 C ATOM 60 C PHE A 6 3.045 -4.630 -3.516 1.00 0.00 C ATOM 61 O PHE A 6 3.981 -4.460 -2.737 1.00 0.00 O ATOM 62 CB PHE A 6 0.863 -5.629 -2.849 1.00 0.00 C ATOM 63 CG PHE A 6 -0.077 -6.838 -2.810 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.251 -7.931 -2.071 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.240 -6.816 -3.514 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.621 -9.051 -2.034 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.112 -7.936 -3.478 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.784 -9.030 -2.739 1.00 0.00 C ATOM 0 H PHE A 6 3.226 -6.570 -1.752 1.00 0.00 H new ATOM 0 HA PHE A 6 2.135 -6.295 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.012 -5.265 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.383 -4.826 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.175 -7.947 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.500 -5.947 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.361 -9.919 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.036 -7.919 -4.037 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.447 -9.882 -2.712 1.00 0.00 H new ATOM 78 N ILE A 7 2.662 -3.754 -4.433 1.00 0.00 N ATOM 79 CA ILE A 7 3.348 -2.483 -4.585 1.00 0.00 C ATOM 80 C ILE A 7 2.320 -1.383 -4.854 1.00 0.00 C ATOM 81 O ILE A 7 1.695 -1.357 -5.913 1.00 0.00 O ATOM 82 CB ILE A 7 4.435 -2.585 -5.658 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.995 -4.007 -5.737 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.534 -1.548 -5.425 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.132 -4.091 -6.757 1.00 0.00 C ATOM 0 H ILE A 7 1.885 -3.900 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 7 3.866 -2.217 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 7 3.983 -2.363 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.358 -4.314 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.201 -4.700 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.294 -1.642 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.103 -0.547 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.990 -1.714 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.513 -5.112 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.760 -3.807 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.935 -3.415 -6.463 1.00 0.00 H new ATOM 97 N VAL A 8 2.176 -0.499 -3.877 1.00 0.00 N ATOM 98 CA VAL A 8 1.234 0.602 -3.995 1.00 0.00 C ATOM 99 C VAL A 8 1.986 1.927 -3.859 1.00 0.00 C ATOM 100 O VAL A 8 3.050 1.981 -3.246 1.00 0.00 O ATOM 101 CB VAL A 8 0.112 0.443 -2.967 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.088 -1.029 -2.598 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.386 1.288 -1.722 1.00 0.00 C ATOM 0 H VAL A 8 2.696 -0.523 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 8 0.760 0.596 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.812 0.804 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.891 -1.115 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.350 -1.596 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.834 -1.426 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.426 1.157 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.324 0.971 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.456 2.339 -2.003 1.00 0.00 H new ATOM 113 N ILE A 9 1.402 2.963 -4.442 1.00 0.00 N ATOM 114 CA ILE A 9 2.003 4.286 -4.394 1.00 0.00 C ATOM 115 C ILE A 9 0.929 5.317 -4.043 1.00 0.00 C ATOM 116 O ILE A 9 -0.262 5.060 -4.212 1.00 0.00 O ATOM 117 CB ILE A 9 2.742 4.587 -5.699 1.00 0.00 C ATOM 118 CG1 ILE A 9 2.803 3.345 -6.593 1.00 0.00 C ATOM 119 CG2 ILE A 9 4.131 5.164 -5.423 1.00 0.00 C ATOM 120 CD1 ILE A 9 3.760 2.301 -6.014 1.00 0.00 C ATOM 0 H ILE A 9 0.519 2.914 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 9 2.758 4.333 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 9 2.181 5.348 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.806 2.915 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.130 3.628 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.634 5.369 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.034 6.090 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.716 4.446 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.785 1.429 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.760 2.727 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.417 2.002 -5.023 1.00 0.00 H new ATOM 132 N PHE A 10 1.388 6.462 -3.561 1.00 0.00 N ATOM 133 CA PHE A 10 0.482 7.534 -3.186 1.00 0.00 C ATOM 134 C PHE A 10 0.705 8.773 -4.057 1.00 0.00 C ATOM 135 O PHE A 10 1.836 9.074 -4.435 1.00 0.00 O ATOM 136 CB PHE A 10 0.787 7.889 -1.729 1.00 0.00 C ATOM 137 CG PHE A 10 0.885 6.676 -0.800 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.057 5.696 -0.861 1.00 0.00 C ATOM 139 CD2 PHE A 10 1.912 6.578 0.085 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.033 4.571 0.000 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.003 5.453 0.946 1.00 0.00 C ATOM 142 CZ PHE A 10 1.061 4.474 0.886 1.00 0.00 C ATOM 0 H PHE A 10 2.377 6.671 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.550 7.211 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.726 8.441 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.009 8.556 -1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.873 5.774 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.659 7.356 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.714 3.793 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.820 5.375 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.129 3.619 1.542 1.00 0.00 H new ATOM 152 N LYS A 11 -0.393 9.456 -4.350 1.00 0.00 N ATOM 153 CA LYS A 11 -0.331 10.654 -5.169 1.00 0.00 C ATOM 154 C LYS A 11 0.788 11.562 -4.654 1.00 0.00 C ATOM 155 O LYS A 11 1.401 11.276 -3.626 1.00 0.00 O ATOM 156 CB LYS A 11 -1.699 11.335 -5.224 1.00 0.00 C ATOM 157 CG LYS A 11 -2.198 11.681 -3.820 1.00 0.00 C ATOM 158 CD LYS A 11 -3.645 12.176 -3.858 1.00 0.00 C ATOM 159 CE LYS A 11 -3.759 13.474 -4.657 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.171 13.739 -5.016 1.00 0.00 N ATOM 0 H LYS A 11 -1.329 9.202 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.085 10.399 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.633 12.243 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.416 10.678 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.127 10.803 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.559 12.448 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.283 11.413 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.005 12.337 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.364 14.304 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.154 13.406 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.231 14.624 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.536 12.954 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.739 13.825 -4.149 1.00 0.00 H new ATOM 174 N ASN A 12 1.020 12.637 -5.392 1.00 0.00 N ATOM 175 CA ASN A 12 2.055 13.589 -5.023 1.00 0.00 C ATOM 176 C ASN A 12 1.445 14.681 -4.142 1.00 0.00 C ATOM 177 O ASN A 12 1.833 15.846 -4.233 1.00 0.00 O ATOM 178 CB ASN A 12 2.654 14.259 -6.261 1.00 0.00 C ATOM 179 CG ASN A 12 4.174 14.380 -6.137 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.706 15.359 -5.640 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.842 13.333 -6.615 1.00 0.00 N ATOM 0 H ASN A 12 0.510 12.870 -6.244 1.00 0.00 H new ATOM 0 HA ASN A 12 2.838 13.048 -4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.403 13.680 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.216 15.249 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.861 13.318 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.335 12.545 -7.018 1.00 0.00 H new ATOM 188 N ASP A 13 0.500 14.269 -3.311 1.00 0.00 N ATOM 189 CA ASP A 13 -0.167 15.199 -2.415 1.00 0.00 C ATOM 190 C ASP A 13 -0.023 14.704 -0.973 1.00 0.00 C ATOM 191 O ASP A 13 0.340 15.471 -0.084 1.00 0.00 O ATOM 192 CB ASP A 13 -1.660 15.296 -2.734 1.00 0.00 C ATOM 193 CG ASP A 13 -2.413 16.389 -1.973 1.00 0.00 C ATOM 194 OD1 ASP A 13 -1.732 17.161 -1.265 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.654 16.426 -2.116 1.00 0.00 O ATOM 0 H ASP A 13 0.180 13.303 -3.239 1.00 0.00 H new ATOM 0 HA ASP A 13 0.294 16.179 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.777 15.472 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.126 14.335 -2.516 1.00 0.00 H new ATOM 200 N VAL A 14 -0.316 13.425 -0.789 1.00 0.00 N ATOM 201 CA VAL A 14 -0.223 12.818 0.528 1.00 0.00 C ATOM 202 C VAL A 14 1.015 13.357 1.247 1.00 0.00 C ATOM 203 O VAL A 14 2.017 13.678 0.610 1.00 0.00 O ATOM 204 CB VAL A 14 -0.226 11.293 0.404 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.513 10.844 -0.859 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.371 10.641 1.651 1.00 0.00 C ATOM 0 H VAL A 14 -0.618 12.792 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.091 13.083 1.132 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.262 10.965 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.496 9.756 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.024 11.267 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.546 11.189 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.357 9.557 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.399 10.979 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.217 10.922 2.525 1.00 0.00 H new ATOM 216 N SER A 15 0.906 13.439 2.565 1.00 0.00 N ATOM 217 CA SER A 15 2.005 13.934 3.377 1.00 0.00 C ATOM 218 C SER A 15 2.891 12.769 3.822 1.00 0.00 C ATOM 219 O SER A 15 2.618 11.615 3.494 1.00 0.00 O ATOM 220 CB SER A 15 1.486 14.701 4.595 1.00 0.00 C ATOM 221 OG SER A 15 1.513 13.907 5.778 1.00 0.00 O ATOM 0 H SER A 15 0.074 13.171 3.091 1.00 0.00 H new ATOM 0 HA SER A 15 2.596 14.622 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.091 15.595 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.466 15.034 4.406 1.00 0.00 H new ATOM 0 HG SER A 15 1.176 14.433 6.533 1.00 0.00 H new ATOM 227 N GLU A 16 3.935 13.111 4.562 1.00 0.00 N ATOM 228 CA GLU A 16 4.865 12.108 5.054 1.00 0.00 C ATOM 229 C GLU A 16 4.209 11.273 6.156 1.00 0.00 C ATOM 230 O GLU A 16 4.003 10.072 5.989 1.00 0.00 O ATOM 231 CB GLU A 16 6.157 12.757 5.554 1.00 0.00 C ATOM 232 CG GLU A 16 7.374 12.199 4.813 1.00 0.00 C ATOM 233 CD GLU A 16 8.551 13.174 4.880 1.00 0.00 C ATOM 234 OE1 GLU A 16 9.183 13.226 5.957 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.792 13.844 3.853 1.00 0.00 O ATOM 0 H GLU A 16 4.158 14.069 4.833 1.00 0.00 H new ATOM 0 HA GLU A 16 5.126 11.446 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.104 13.836 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.266 12.581 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.664 11.243 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.114 12.008 3.772 1.00 0.00 H new ATOM 242 N ASP A 17 3.899 11.941 7.256 1.00 0.00 N ATOM 243 CA ASP A 17 3.270 11.276 8.385 1.00 0.00 C ATOM 244 C ASP A 17 2.246 10.264 7.868 1.00 0.00 C ATOM 245 O ASP A 17 2.403 9.060 8.066 1.00 0.00 O ATOM 246 CB ASP A 17 2.536 12.279 9.276 1.00 0.00 C ATOM 247 CG ASP A 17 2.471 11.900 10.758 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.531 11.506 11.290 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.364 12.015 11.325 1.00 0.00 O ATOM 0 H ASP A 17 4.072 12.937 7.390 1.00 0.00 H new ATOM 0 HA ASP A 17 4.051 10.784 8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.025 13.249 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.519 12.399 8.902 1.00 0.00 H new ATOM 254 N LYS A 18 1.221 10.789 7.214 1.00 0.00 N ATOM 255 CA LYS A 18 0.170 9.946 6.668 1.00 0.00 C ATOM 256 C LYS A 18 0.801 8.731 5.985 1.00 0.00 C ATOM 257 O LYS A 18 0.352 7.603 6.180 1.00 0.00 O ATOM 258 CB LYS A 18 -0.747 10.760 5.751 1.00 0.00 C ATOM 259 CG LYS A 18 -2.117 10.972 6.397 1.00 0.00 C ATOM 260 CD LYS A 18 -2.999 11.869 5.525 1.00 0.00 C ATOM 261 CE LYS A 18 -4.479 11.518 5.698 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.940 10.657 4.585 1.00 0.00 N ATOM 0 H LYS A 18 1.095 11.788 7.049 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.469 9.568 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.289 11.725 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.866 10.244 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.606 10.009 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.993 11.423 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.836 12.914 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.715 11.758 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.629 11.006 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.074 12.431 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.946 10.428 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.815 11.159 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.384 9.778 4.572 1.00 0.00 H new ATOM 276 N ILE A 19 1.833 9.002 5.199 1.00 0.00 N ATOM 277 CA ILE A 19 2.530 7.946 4.487 1.00 0.00 C ATOM 278 C ILE A 19 2.947 6.858 5.479 1.00 0.00 C ATOM 279 O ILE A 19 2.568 5.697 5.328 1.00 0.00 O ATOM 280 CB ILE A 19 3.695 8.521 3.679 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.476 8.317 2.179 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.029 7.939 4.149 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.545 9.048 1.364 1.00 0.00 C ATOM 0 H ILE A 19 2.203 9.939 5.040 1.00 0.00 H new ATOM 0 HA ILE A 19 1.869 7.478 3.758 1.00 0.00 H new ATOM 0 HB ILE A 19 3.734 9.596 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.501 7.253 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.488 8.682 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.840 8.365 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.181 8.181 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.018 6.856 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.366 8.886 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.502 10.115 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.530 8.664 1.628 1.00 0.00 H new ATOM 295 N ARG A 20 3.723 7.272 6.469 1.00 0.00 N ATOM 296 CA ARG A 20 4.196 6.347 7.486 1.00 0.00 C ATOM 297 C ARG A 20 3.013 5.662 8.173 1.00 0.00 C ATOM 298 O ARG A 20 3.116 4.511 8.594 1.00 0.00 O ATOM 299 CB ARG A 20 5.039 7.069 8.538 1.00 0.00 C ATOM 300 CG ARG A 20 6.448 7.352 8.012 1.00 0.00 C ATOM 301 CD ARG A 20 7.328 7.965 9.104 1.00 0.00 C ATOM 302 NE ARG A 20 7.515 9.411 8.850 1.00 0.00 N ATOM 303 CZ ARG A 20 8.046 10.266 9.735 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.445 9.826 10.936 1.00 0.00 N ATOM 305 NH2 ARG A 20 8.177 11.562 9.418 1.00 0.00 N ATOM 0 H ARG A 20 4.036 8.235 6.589 1.00 0.00 H new ATOM 0 HA ARG A 20 4.816 5.599 6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.556 8.006 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.099 6.461 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.899 6.427 7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.393 8.031 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.867 7.815 10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.295 7.463 9.128 1.00 0.00 H new ATOM 0 HE ARG A 20 7.222 9.780 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.345 8.840 11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.849 10.477 11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.873 11.897 8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.581 12.213 10.091 1.00 0.00 H new ATOM 319 N GLU A 21 1.916 6.399 8.265 1.00 0.00 N ATOM 320 CA GLU A 21 0.714 5.877 8.894 1.00 0.00 C ATOM 321 C GLU A 21 0.139 4.726 8.065 1.00 0.00 C ATOM 322 O GLU A 21 0.119 3.582 8.516 1.00 0.00 O ATOM 323 CB GLU A 21 -0.325 6.983 9.092 1.00 0.00 C ATOM 324 CG GLU A 21 0.014 7.841 10.312 1.00 0.00 C ATOM 325 CD GLU A 21 -1.161 7.892 11.290 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.190 8.492 10.910 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.004 7.331 12.396 1.00 0.00 O ATOM 0 H GLU A 21 1.834 7.353 7.915 1.00 0.00 H new ATOM 0 HA GLU A 21 0.979 5.493 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.367 7.611 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.313 6.540 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.892 7.435 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.269 8.851 9.991 1.00 0.00 H new ATOM 334 N THR A 22 -0.314 5.069 6.868 1.00 0.00 N ATOM 335 CA THR A 22 -0.888 4.080 5.973 1.00 0.00 C ATOM 336 C THR A 22 -0.116 2.762 6.070 1.00 0.00 C ATOM 337 O THR A 22 -0.710 1.686 6.034 1.00 0.00 O ATOM 338 CB THR A 22 -0.907 4.671 4.562 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.070 5.494 4.547 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.180 3.616 3.488 1.00 0.00 C ATOM 0 H THR A 22 -0.295 6.019 6.497 1.00 0.00 H new ATOM 0 HA THR A 22 -1.914 3.842 6.253 1.00 0.00 H new ATOM 0 HB THR A 22 0.048 5.155 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.159 5.919 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.183 4.089 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.402 2.853 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.150 3.153 3.671 1.00 0.00 H new ATOM 348 N LYS A 23 1.197 2.890 6.190 1.00 0.00 N ATOM 349 CA LYS A 23 2.057 1.723 6.293 1.00 0.00 C ATOM 350 C LYS A 23 1.776 1.003 7.612 1.00 0.00 C ATOM 351 O LYS A 23 1.460 -0.186 7.620 1.00 0.00 O ATOM 352 CB LYS A 23 3.523 2.120 6.108 1.00 0.00 C ATOM 353 CG LYS A 23 3.961 1.939 4.654 1.00 0.00 C ATOM 354 CD LYS A 23 5.291 2.647 4.389 1.00 0.00 C ATOM 355 CE LYS A 23 5.063 4.083 3.912 1.00 0.00 C ATOM 356 NZ LYS A 23 6.033 4.438 2.853 1.00 0.00 N ATOM 0 H LYS A 23 1.687 3.784 6.218 1.00 0.00 H new ATOM 0 HA LYS A 23 1.839 1.017 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.663 3.159 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.153 1.514 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.060 0.877 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.195 2.336 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.891 2.653 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.857 2.096 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.047 4.189 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.164 4.771 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.333 5.426 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.862 3.814 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.587 4.323 1.921 1.00 0.00 H new ATOM 370 N ASP A 24 1.903 1.752 8.698 1.00 0.00 N ATOM 371 CA ASP A 24 1.666 1.199 10.020 1.00 0.00 C ATOM 372 C ASP A 24 0.231 0.675 10.101 1.00 0.00 C ATOM 373 O ASP A 24 -0.017 -0.375 10.691 1.00 0.00 O ATOM 374 CB ASP A 24 1.841 2.266 11.103 1.00 0.00 C ATOM 375 CG ASP A 24 3.179 2.222 11.844 1.00 0.00 C ATOM 376 OD1 ASP A 24 4.111 1.594 11.297 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.239 2.819 12.941 1.00 0.00 O ATOM 0 H ASP A 24 2.167 2.737 8.689 1.00 0.00 H new ATOM 0 HA ASP A 24 2.386 0.397 10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.729 3.249 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.036 2.159 11.830 1.00 0.00 H new ATOM 382 N GLU A 25 -0.675 1.430 9.498 1.00 0.00 N ATOM 383 CA GLU A 25 -2.079 1.055 9.495 1.00 0.00 C ATOM 384 C GLU A 25 -2.241 -0.388 9.013 1.00 0.00 C ATOM 385 O GLU A 25 -2.986 -1.166 9.608 1.00 0.00 O ATOM 386 CB GLU A 25 -2.902 2.016 8.633 1.00 0.00 C ATOM 387 CG GLU A 25 -3.900 2.800 9.487 1.00 0.00 C ATOM 388 CD GLU A 25 -4.832 3.637 8.611 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.307 4.542 7.926 1.00 0.00 O ATOM 390 OE2 GLU A 25 -6.050 3.355 8.644 1.00 0.00 O ATOM 0 H GLU A 25 -0.465 2.300 9.008 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.455 1.122 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.237 2.708 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.436 1.456 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.487 2.109 10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.362 3.450 10.177 1.00 0.00 H new ATOM 397 N VAL A 26 -1.532 -0.703 7.939 1.00 0.00 N ATOM 398 CA VAL A 26 -1.588 -2.039 7.370 1.00 0.00 C ATOM 399 C VAL A 26 -0.831 -3.008 8.280 1.00 0.00 C ATOM 400 O VAL A 26 -1.309 -4.107 8.557 1.00 0.00 O ATOM 401 CB VAL A 26 -1.051 -2.021 5.938 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.280 -2.770 5.842 1.00 0.00 C ATOM 403 CG2 VAL A 26 -2.077 -2.598 4.960 1.00 0.00 C ATOM 0 H VAL A 26 -0.915 -0.056 7.448 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.620 -2.386 7.312 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.872 -0.982 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.640 -2.742 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.012 -2.296 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.137 -3.806 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.670 -2.573 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.303 -3.628 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.990 -2.004 4.998 1.00 0.00 H new ATOM 413 N ILE A 27 0.338 -2.566 8.721 1.00 0.00 N ATOM 414 CA ILE A 27 1.166 -3.381 9.594 1.00 0.00 C ATOM 415 C ILE A 27 0.311 -3.924 10.740 1.00 0.00 C ATOM 416 O ILE A 27 0.400 -5.102 11.081 1.00 0.00 O ATOM 417 CB ILE A 27 2.390 -2.591 10.061 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.236 -2.134 8.870 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.209 -3.397 11.070 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.357 -3.133 8.579 1.00 0.00 C ATOM 0 H ILE A 27 0.731 -1.654 8.490 1.00 0.00 H new ATOM 0 HA ILE A 27 1.558 -4.242 9.053 1.00 0.00 H new ATOM 0 HB ILE A 27 2.043 -1.693 10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.603 -2.026 7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.663 -1.153 9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.073 -2.813 11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.591 -3.629 11.937 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.547 -4.324 10.607 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.943 -2.785 7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.002 -3.220 9.453 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.926 -4.107 8.348 1.00 0.00 H new ATOM 432 N ALA A 28 -0.500 -3.039 11.301 1.00 0.00 N ATOM 433 CA ALA A 28 -1.371 -3.414 12.401 1.00 0.00 C ATOM 434 C ALA A 28 -2.581 -4.173 11.852 1.00 0.00 C ATOM 435 O ALA A 28 -3.069 -5.110 12.482 1.00 0.00 O ATOM 436 CB ALA A 28 -1.775 -2.163 13.185 1.00 0.00 C ATOM 0 H ALA A 28 -0.572 -2.063 11.014 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.850 -4.077 13.092 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.429 -2.446 14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.883 -1.677 13.579 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.302 -1.474 12.525 1.00 0.00 H new ATOM 442 N GLU A 29 -3.031 -3.740 10.684 1.00 0.00 N ATOM 443 CA GLU A 29 -4.174 -4.367 10.043 1.00 0.00 C ATOM 444 C GLU A 29 -3.864 -5.830 9.718 1.00 0.00 C ATOM 445 O GLU A 29 -4.382 -6.736 10.368 1.00 0.00 O ATOM 446 CB GLU A 29 -4.585 -3.601 8.784 1.00 0.00 C ATOM 447 CG GLU A 29 -5.969 -4.039 8.302 1.00 0.00 C ATOM 448 CD GLU A 29 -6.839 -2.829 7.958 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.669 -2.309 6.833 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.655 -2.451 8.826 1.00 0.00 O ATOM 0 H GLU A 29 -2.625 -2.962 10.164 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.015 -4.339 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.590 -2.531 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.851 -3.770 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.867 -4.679 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.456 -4.633 9.075 1.00 0.00 H new ATOM 457 N GLY A 30 -3.022 -6.013 8.712 1.00 0.00 N ATOM 458 CA GLY A 30 -2.637 -7.351 8.293 1.00 0.00 C ATOM 459 C GLY A 30 -1.331 -7.321 7.496 1.00 0.00 C ATOM 460 O GLY A 30 -0.291 -7.758 7.986 1.00 0.00 O ATOM 0 H GLY A 30 -2.595 -5.258 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.519 -7.990 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.429 -7.787 7.684 1.00 0.00 H new ATOM 464 N GLY A 31 -1.428 -6.802 6.282 1.00 0.00 N ATOM 465 CA GLY A 31 -0.266 -6.709 5.413 1.00 0.00 C ATOM 466 C GLY A 31 0.960 -6.224 6.187 1.00 0.00 C ATOM 467 O GLY A 31 0.838 -5.735 7.309 1.00 0.00 O ATOM 0 H GLY A 31 -2.293 -6.441 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.059 -7.684 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.476 -6.024 4.591 1.00 0.00 H new ATOM 471 N THR A 32 2.116 -6.375 5.556 1.00 0.00 N ATOM 472 CA THR A 32 3.365 -5.957 6.173 1.00 0.00 C ATOM 473 C THR A 32 4.183 -5.110 5.196 1.00 0.00 C ATOM 474 O THR A 32 3.760 -4.875 4.066 1.00 0.00 O ATOM 475 CB THR A 32 4.097 -7.211 6.651 1.00 0.00 C ATOM 476 OG1 THR A 32 3.060 -8.169 6.841 1.00 0.00 O ATOM 477 CG2 THR A 32 4.705 -7.038 8.046 1.00 0.00 C ATOM 0 H THR A 32 2.214 -6.780 4.625 1.00 0.00 H new ATOM 0 HA THR A 32 3.187 -5.318 7.038 1.00 0.00 H new ATOM 0 HB THR A 32 4.884 -7.464 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.448 -9.014 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.213 -7.957 8.338 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.421 -6.216 8.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.914 -6.817 8.763 1.00 0.00 H new ATOM 485 N ILE A 33 5.342 -4.675 5.669 1.00 0.00 N ATOM 486 CA ILE A 33 6.224 -3.859 4.852 1.00 0.00 C ATOM 487 C ILE A 33 7.641 -4.435 4.907 1.00 0.00 C ATOM 488 O ILE A 33 8.160 -4.714 5.986 1.00 0.00 O ATOM 489 CB ILE A 33 6.141 -2.391 5.276 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.684 -1.937 5.397 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.942 -1.500 4.324 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.092 -1.625 4.021 1.00 0.00 C ATOM 0 H ILE A 33 5.690 -4.872 6.607 1.00 0.00 H new ATOM 0 HA ILE A 33 5.909 -3.885 3.809 1.00 0.00 H new ATOM 0 HB ILE A 33 6.592 -2.294 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.096 -2.716 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.626 -1.052 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.867 -0.462 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.988 -1.807 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.543 -1.595 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.056 -1.305 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.668 -0.829 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.129 -2.519 3.398 1.00 0.00 H new ATOM 504 N THR A 34 8.226 -4.596 3.729 1.00 0.00 N ATOM 505 CA THR A 34 9.571 -5.134 3.630 1.00 0.00 C ATOM 506 C THR A 34 10.522 -4.086 3.047 1.00 0.00 C ATOM 507 O THR A 34 11.710 -4.075 3.365 1.00 0.00 O ATOM 508 CB THR A 34 9.507 -6.420 2.804 1.00 0.00 C ATOM 509 OG1 THR A 34 9.029 -5.992 1.532 1.00 0.00 O ATOM 510 CG2 THR A 34 8.427 -7.382 3.304 1.00 0.00 C ATOM 0 H THR A 34 7.793 -4.363 2.835 1.00 0.00 H new ATOM 0 HA THR A 34 9.971 -5.381 4.613 1.00 0.00 H new ATOM 0 HB THR A 34 10.477 -6.917 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.959 -6.764 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.423 -8.279 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.635 -7.657 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.453 -6.897 3.246 1.00 0.00 H new ATOM 518 N ASN A 35 9.965 -3.230 2.203 1.00 0.00 N ATOM 519 CA ASN A 35 10.748 -2.181 1.574 1.00 0.00 C ATOM 520 C ASN A 35 9.834 -1.002 1.235 1.00 0.00 C ATOM 521 O ASN A 35 8.617 -1.160 1.150 1.00 0.00 O ATOM 522 CB ASN A 35 11.387 -2.674 0.275 1.00 0.00 C ATOM 523 CG ASN A 35 12.665 -3.465 0.557 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.424 -3.165 1.463 1.00 0.00 O ATOM 525 ND2 ASN A 35 12.859 -4.491 -0.266 1.00 0.00 N ATOM 0 H ASN A 35 8.980 -3.242 1.940 1.00 0.00 H new ATOM 0 HA ASN A 35 11.532 -1.882 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.679 -3.301 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.616 -1.824 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.683 -5.082 -0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.183 -4.687 -1.005 1.00 0.00 H new ATOM 532 N GLU A 36 10.456 0.154 1.049 1.00 0.00 N ATOM 533 CA GLU A 36 9.713 1.358 0.720 1.00 0.00 C ATOM 534 C GLU A 36 10.369 2.081 -0.459 1.00 0.00 C ATOM 535 O GLU A 36 11.464 1.716 -0.883 1.00 0.00 O ATOM 536 CB GLU A 36 9.600 2.282 1.934 1.00 0.00 C ATOM 537 CG GLU A 36 10.788 3.244 2.004 1.00 0.00 C ATOM 538 CD GLU A 36 12.091 2.488 2.268 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.521 1.759 1.348 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.628 2.656 3.385 1.00 0.00 O ATOM 0 H GLU A 36 11.466 0.281 1.120 1.00 0.00 H new ATOM 0 HA GLU A 36 8.703 1.070 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.671 2.849 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.556 1.686 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.868 3.798 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.622 3.976 2.794 1.00 0.00 H new ATOM 547 N TYR A 37 9.672 3.092 -0.954 1.00 0.00 N ATOM 548 CA TYR A 37 10.172 3.870 -2.075 1.00 0.00 C ATOM 549 C TYR A 37 10.056 5.370 -1.798 1.00 0.00 C ATOM 550 O TYR A 37 9.017 5.974 -2.058 1.00 0.00 O ATOM 551 CB TYR A 37 9.281 3.513 -3.267 1.00 0.00 C ATOM 552 CG TYR A 37 9.384 2.050 -3.705 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.564 1.570 -4.234 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.296 1.211 -3.571 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.662 0.193 -4.646 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.393 -0.165 -3.983 1.00 0.00 C ATOM 557 CZ TYR A 37 9.571 -0.606 -4.501 1.00 0.00 C ATOM 558 OH TYR A 37 9.663 -1.905 -4.889 1.00 0.00 O ATOM 0 H TYR A 37 8.764 3.391 -0.599 1.00 0.00 H new ATOM 0 HA TYR A 37 11.223 3.648 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.244 3.733 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.544 4.153 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.415 2.227 -4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.372 1.587 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.580 -0.196 -5.060 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.550 -0.832 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 37 10.587 -2.214 -4.781 1.00 0.00 H new ATOM 568 N ASN A 38 11.138 5.928 -1.274 1.00 0.00 N ATOM 569 CA ASN A 38 11.170 7.346 -0.959 1.00 0.00 C ATOM 570 C ASN A 38 11.815 8.107 -2.118 1.00 0.00 C ATOM 571 O ASN A 38 12.986 8.475 -2.049 1.00 0.00 O ATOM 572 CB ASN A 38 11.998 7.611 0.300 1.00 0.00 C ATOM 573 CG ASN A 38 13.326 6.851 0.253 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.718 6.297 -0.760 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.992 6.856 1.404 1.00 0.00 N ATOM 0 H ASN A 38 11.998 5.424 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 38 10.145 7.678 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.190 8.680 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.433 7.309 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.889 6.376 1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.606 7.340 2.215 1.00 0.00 H new ATOM 582 N MET A 39 11.022 8.320 -3.158 1.00 0.00 N ATOM 583 CA MET A 39 11.501 9.031 -4.332 1.00 0.00 C ATOM 584 C MET A 39 10.791 10.377 -4.484 1.00 0.00 C ATOM 585 O MET A 39 9.694 10.568 -3.962 1.00 0.00 O ATOM 586 CB MET A 39 11.256 8.179 -5.579 1.00 0.00 C ATOM 587 CG MET A 39 12.561 7.565 -6.089 1.00 0.00 C ATOM 588 SD MET A 39 12.656 7.719 -7.864 1.00 0.00 S ATOM 589 CE MET A 39 13.349 6.126 -8.276 1.00 0.00 C ATOM 0 H MET A 39 10.051 8.013 -3.212 1.00 0.00 H new ATOM 0 HA MET A 39 12.568 9.217 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.543 7.387 -5.348 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.809 8.793 -6.361 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.412 8.064 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.614 6.514 -5.804 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.476 6.053 -9.356 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.317 6.013 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.678 5.338 -7.935 1.00 0.00 H new ATOM 599 N PRO A 40 11.463 11.300 -5.223 1.00 0.00 N ATOM 600 CA PRO A 40 10.909 12.624 -5.451 1.00 0.00 C ATOM 601 C PRO A 40 9.778 12.575 -6.480 1.00 0.00 C ATOM 602 O PRO A 40 9.051 13.550 -6.656 1.00 0.00 O ATOM 603 CB PRO A 40 12.087 13.471 -5.904 1.00 0.00 C ATOM 604 CG PRO A 40 13.155 12.491 -6.358 1.00 0.00 C ATOM 605 CD PRO A 40 12.765 11.110 -5.857 1.00 0.00 C ATOM 0 HA PRO A 40 10.451 13.048 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.799 14.138 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.453 14.098 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.238 12.493 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.129 12.779 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.706 10.394 -6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.498 10.724 -5.149 1.00 0.00 H new ATOM 613 N GLY A 41 9.665 11.427 -7.134 1.00 0.00 N ATOM 614 CA GLY A 41 8.635 11.237 -8.141 1.00 0.00 C ATOM 615 C GLY A 41 7.922 9.897 -7.950 1.00 0.00 C ATOM 616 O GLY A 41 7.109 9.498 -8.782 1.00 0.00 O ATOM 0 H GLY A 41 10.270 10.619 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.911 12.050 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.081 11.277 -9.135 1.00 0.00 H new ATOM 620 N MET A 42 8.252 9.240 -6.848 1.00 0.00 N ATOM 621 CA MET A 42 7.652 7.953 -6.536 1.00 0.00 C ATOM 622 C MET A 42 7.598 7.725 -5.024 1.00 0.00 C ATOM 623 O MET A 42 8.545 7.205 -4.436 1.00 0.00 O ATOM 624 CB MET A 42 8.470 6.837 -7.191 1.00 0.00 C ATOM 625 CG MET A 42 7.560 5.712 -7.690 1.00 0.00 C ATOM 626 SD MET A 42 7.907 5.360 -9.404 1.00 0.00 S ATOM 627 CE MET A 42 7.725 3.584 -9.400 1.00 0.00 C ATOM 0 H MET A 42 8.927 9.574 -6.160 1.00 0.00 H new ATOM 0 HA MET A 42 6.633 7.945 -6.922 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.044 7.243 -8.024 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.188 6.438 -6.474 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.713 4.816 -7.088 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.515 6.000 -7.574 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.909 3.197 -10.402 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.441 3.146 -8.705 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.713 3.323 -9.091 1.00 0.00 H new ATOM 637 N LYS A 43 6.479 8.127 -4.439 1.00 0.00 N ATOM 638 CA LYS A 43 6.288 7.973 -3.007 1.00 0.00 C ATOM 639 C LYS A 43 5.392 6.760 -2.742 1.00 0.00 C ATOM 640 O LYS A 43 4.208 6.912 -2.448 1.00 0.00 O ATOM 641 CB LYS A 43 5.760 9.271 -2.394 1.00 0.00 C ATOM 642 CG LYS A 43 6.874 10.027 -1.666 1.00 0.00 C ATOM 643 CD LYS A 43 7.144 11.378 -2.330 1.00 0.00 C ATOM 644 CE LYS A 43 8.204 12.166 -1.557 1.00 0.00 C ATOM 645 NZ LYS A 43 8.969 13.042 -2.473 1.00 0.00 N ATOM 0 H LYS A 43 5.696 8.559 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 43 7.241 7.779 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.339 9.902 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.953 9.046 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.594 10.180 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.785 9.429 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.477 11.223 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.220 11.955 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.726 12.767 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.882 11.477 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.970 12.761 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.590 12.951 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.884 14.030 -2.160 1.00 0.00 H new ATOM 659 N GLY A 44 5.993 5.585 -2.858 1.00 0.00 N ATOM 660 CA GLY A 44 5.265 4.348 -2.636 1.00 0.00 C ATOM 661 C GLY A 44 6.054 3.402 -1.728 1.00 0.00 C ATOM 662 O GLY A 44 7.075 3.789 -1.162 1.00 0.00 O ATOM 0 H GLY A 44 6.976 5.464 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.297 4.567 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.069 3.861 -3.591 1.00 0.00 H new ATOM 666 N PHE A 45 5.551 2.182 -1.618 1.00 0.00 N ATOM 667 CA PHE A 45 6.196 1.178 -0.788 1.00 0.00 C ATOM 668 C PHE A 45 5.862 -0.234 -1.275 1.00 0.00 C ATOM 669 O PHE A 45 4.891 -0.428 -2.006 1.00 0.00 O ATOM 670 CB PHE A 45 5.654 1.357 0.632 1.00 0.00 C ATOM 671 CG PHE A 45 4.242 0.804 0.833 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.063 -0.508 1.143 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.166 1.626 0.704 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.752 -1.021 1.329 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.855 1.112 0.891 1.00 0.00 C ATOM 676 CZ PHE A 45 1.676 -0.200 1.200 1.00 0.00 C ATOM 0 H PHE A 45 4.704 1.865 -2.090 1.00 0.00 H new ATOM 0 HA PHE A 45 7.278 1.300 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.329 0.865 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.656 2.418 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.918 -1.160 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.308 2.668 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.610 -2.063 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.000 1.764 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.679 -0.590 1.343 1.00 0.00 H new ATOM 686 N ALA A 46 6.683 -1.181 -0.850 1.00 0.00 N ATOM 687 CA ALA A 46 6.488 -2.569 -1.234 1.00 0.00 C ATOM 688 C ALA A 46 6.556 -3.453 0.013 1.00 0.00 C ATOM 689 O ALA A 46 7.246 -3.122 0.976 1.00 0.00 O ATOM 690 CB ALA A 46 7.528 -2.961 -2.284 1.00 0.00 C ATOM 0 H ALA A 46 7.486 -1.015 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 46 5.505 -2.707 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.381 -4.002 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.417 -2.324 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.528 -2.837 -1.869 1.00 0.00 H new ATOM 696 N GLY A 47 5.832 -4.561 -0.045 1.00 0.00 N ATOM 697 CA GLY A 47 5.802 -5.495 1.068 1.00 0.00 C ATOM 698 C GLY A 47 4.737 -6.572 0.851 1.00 0.00 C ATOM 699 O GLY A 47 4.426 -6.922 -0.286 1.00 0.00 O ATOM 0 H GLY A 47 5.261 -4.833 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.780 -5.963 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.597 -4.957 1.994 1.00 0.00 H new ATOM 703 N GLU A 48 4.208 -7.068 1.961 1.00 0.00 N ATOM 704 CA GLU A 48 3.185 -8.097 1.907 1.00 0.00 C ATOM 705 C GLU A 48 1.798 -7.477 2.092 1.00 0.00 C ATOM 706 O GLU A 48 1.596 -6.655 2.984 1.00 0.00 O ATOM 707 CB GLU A 48 3.445 -9.183 2.952 1.00 0.00 C ATOM 708 CG GLU A 48 3.839 -10.503 2.286 1.00 0.00 C ATOM 709 CD GLU A 48 4.638 -11.385 3.247 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.829 -11.064 3.455 1.00 0.00 O ATOM 711 OE2 GLU A 48 4.042 -12.361 3.751 1.00 0.00 O ATOM 0 H GLU A 48 4.469 -6.776 2.903 1.00 0.00 H new ATOM 0 HA GLU A 48 3.222 -8.568 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.238 -8.861 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.551 -9.330 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.943 -11.032 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.432 -10.302 1.394 1.00 0.00 H new ATOM 718 N LEU A 49 0.879 -7.898 1.236 1.00 0.00 N ATOM 719 CA LEU A 49 -0.483 -7.395 1.295 1.00 0.00 C ATOM 720 C LEU A 49 -1.457 -8.535 0.994 1.00 0.00 C ATOM 721 O LEU A 49 -1.059 -9.699 0.941 1.00 0.00 O ATOM 722 CB LEU A 49 -0.647 -6.186 0.371 1.00 0.00 C ATOM 723 CG LEU A 49 -0.461 -4.814 1.022 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.414 -3.910 0.151 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.811 -4.170 1.341 1.00 0.00 C ATOM 0 H LEU A 49 1.050 -8.581 0.498 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.713 -7.035 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.069 -6.278 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.642 -6.224 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 49 0.060 -4.953 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.531 -2.941 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.393 -4.370 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.058 -3.775 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.649 -3.196 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.381 -4.045 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.366 -4.809 2.027 1.00 0.00 H new ATOM 737 N THR A 50 -2.714 -8.163 0.805 1.00 0.00 N ATOM 738 CA THR A 50 -3.748 -9.141 0.511 1.00 0.00 C ATOM 739 C THR A 50 -4.881 -8.495 -0.288 1.00 0.00 C ATOM 740 O THR A 50 -4.815 -7.312 -0.623 1.00 0.00 O ATOM 741 CB THR A 50 -4.211 -9.753 1.836 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.404 -9.106 2.816 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.836 -11.230 1.960 1.00 0.00 C ATOM 0 H THR A 50 -3.040 -7.198 0.850 1.00 0.00 H new ATOM 0 HA THR A 50 -3.365 -9.944 -0.119 1.00 0.00 H new ATOM 0 HB THR A 50 -5.292 -9.644 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.638 -9.442 3.706 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.187 -11.615 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.300 -11.793 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.753 -11.337 1.901 1.00 0.00 H new ATOM 751 N PRO A 51 -5.923 -9.320 -0.579 1.00 0.00 N ATOM 752 CA PRO A 51 -7.069 -8.842 -1.333 1.00 0.00 C ATOM 753 C PRO A 51 -7.967 -7.959 -0.465 1.00 0.00 C ATOM 754 O PRO A 51 -8.720 -7.135 -0.982 1.00 0.00 O ATOM 755 CB PRO A 51 -7.768 -10.098 -1.826 1.00 0.00 C ATOM 756 CG PRO A 51 -7.259 -11.230 -0.948 1.00 0.00 C ATOM 757 CD PRO A 51 -6.036 -10.725 -0.200 1.00 0.00 C ATOM 0 HA PRO A 51 -6.785 -8.206 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.851 -9.999 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.541 -10.285 -2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.031 -11.547 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.004 -12.099 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.157 -10.836 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.143 -11.283 -0.479 1.00 0.00 H new ATOM 765 N GLN A 52 -7.858 -8.161 0.840 1.00 0.00 N ATOM 766 CA GLN A 52 -8.650 -7.393 1.785 1.00 0.00 C ATOM 767 C GLN A 52 -8.087 -5.977 1.923 1.00 0.00 C ATOM 768 O GLN A 52 -8.805 -4.998 1.729 1.00 0.00 O ATOM 769 CB GLN A 52 -8.712 -8.093 3.144 1.00 0.00 C ATOM 770 CG GLN A 52 -9.254 -7.152 4.221 1.00 0.00 C ATOM 771 CD GLN A 52 -8.557 -7.393 5.562 1.00 0.00 C ATOM 772 OE1 GLN A 52 -9.181 -7.565 6.595 1.00 0.00 O ATOM 773 NE2 GLN A 52 -7.228 -7.394 5.487 1.00 0.00 N ATOM 0 H GLN A 52 -7.233 -8.846 1.265 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.668 -7.322 1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.348 -8.976 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.717 -8.438 3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.107 -6.117 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.328 -7.302 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.768 -7.244 4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.670 -7.545 6.327 1.00 0.00 H new ATOM 782 N SER A 53 -6.806 -5.914 2.259 1.00 0.00 N ATOM 783 CA SER A 53 -6.139 -4.633 2.425 1.00 0.00 C ATOM 784 C SER A 53 -6.287 -3.797 1.153 1.00 0.00 C ATOM 785 O SER A 53 -6.442 -2.578 1.221 1.00 0.00 O ATOM 786 CB SER A 53 -4.659 -4.825 2.765 1.00 0.00 C ATOM 787 OG SER A 53 -4.440 -4.895 4.172 1.00 0.00 O ATOM 0 H SER A 53 -6.213 -6.728 2.421 1.00 0.00 H new ATOM 0 HA SER A 53 -6.610 -4.106 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.294 -5.739 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.081 -4.000 2.349 1.00 0.00 H new ATOM 0 HG SER A 53 -3.518 -5.177 4.346 1.00 0.00 H new ATOM 793 N LEU A 54 -6.235 -4.484 0.021 1.00 0.00 N ATOM 794 CA LEU A 54 -6.362 -3.819 -1.265 1.00 0.00 C ATOM 795 C LEU A 54 -7.683 -3.049 -1.308 1.00 0.00 C ATOM 796 O LEU A 54 -7.691 -1.819 -1.288 1.00 0.00 O ATOM 797 CB LEU A 54 -6.198 -4.825 -2.406 1.00 0.00 C ATOM 798 CG LEU A 54 -4.949 -4.656 -3.274 1.00 0.00 C ATOM 799 CD1 LEU A 54 -3.679 -4.944 -2.470 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.037 -5.519 -4.535 1.00 0.00 C ATOM 0 H LEU A 54 -6.107 -5.494 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.564 -3.089 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.188 -5.829 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.075 -4.761 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.896 -3.617 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.806 -4.817 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.616 -4.253 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.709 -5.968 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.137 -5.380 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.127 -6.568 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.910 -5.224 -5.118 1.00 0.00 H new ATOM 812 N THR A 55 -8.770 -3.805 -1.366 1.00 0.00 N ATOM 813 CA THR A 55 -10.094 -3.210 -1.412 1.00 0.00 C ATOM 814 C THR A 55 -10.155 -1.971 -0.516 1.00 0.00 C ATOM 815 O THR A 55 -10.903 -1.036 -0.793 1.00 0.00 O ATOM 816 CB THR A 55 -11.111 -4.287 -1.029 1.00 0.00 C ATOM 817 OG1 THR A 55 -10.904 -5.318 -1.990 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.555 -3.841 -1.266 1.00 0.00 C ATOM 0 H THR A 55 -8.760 -4.825 -1.382 1.00 0.00 H new ATOM 0 HA THR A 55 -10.334 -2.858 -2.416 1.00 0.00 H new ATOM 0 HB THR A 55 -10.981 -4.551 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.314 -6.003 -1.612 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.235 -4.642 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.765 -2.954 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.695 -3.608 -2.322 1.00 0.00 H new ATOM 826 N LYS A 56 -9.355 -2.006 0.541 1.00 0.00 N ATOM 827 CA LYS A 56 -9.307 -0.898 1.479 1.00 0.00 C ATOM 828 C LYS A 56 -8.877 0.371 0.741 1.00 0.00 C ATOM 829 O LYS A 56 -9.678 1.286 0.554 1.00 0.00 O ATOM 830 CB LYS A 56 -8.418 -1.247 2.674 1.00 0.00 C ATOM 831 CG LYS A 56 -8.865 -0.493 3.929 1.00 0.00 C ATOM 832 CD LYS A 56 -8.496 0.989 3.840 1.00 0.00 C ATOM 833 CE LYS A 56 -6.986 1.169 3.678 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.548 2.446 4.286 1.00 0.00 N ATOM 0 H LYS A 56 -8.736 -2.784 0.768 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.297 -0.705 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.455 -2.321 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.382 -0.998 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.943 -0.596 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.398 -0.935 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.013 1.446 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.833 1.506 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.462 0.337 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.723 1.154 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.520 2.553 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.034 3.238 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.781 2.446 5.300 1.00 0.00 H new ATOM 848 N PHE A 57 -7.614 0.387 0.342 1.00 0.00 N ATOM 849 CA PHE A 57 -7.068 1.529 -0.370 1.00 0.00 C ATOM 850 C PHE A 57 -7.250 1.371 -1.881 1.00 0.00 C ATOM 851 O PHE A 57 -6.674 2.127 -2.662 1.00 0.00 O ATOM 852 CB PHE A 57 -5.573 1.582 -0.052 1.00 0.00 C ATOM 853 CG PHE A 57 -4.850 0.245 -0.231 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.593 -0.227 -1.481 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.467 -0.472 0.858 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.922 -1.468 -1.647 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.796 -1.713 0.692 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.539 -2.185 -0.558 1.00 0.00 C ATOM 0 H PHE A 57 -6.953 -0.374 0.499 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.582 2.439 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.102 2.327 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.443 1.919 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.899 0.342 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.673 -0.098 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.716 -1.842 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.490 -2.282 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.031 -3.129 -0.685 1.00 0.00 H new ATOM 868 N GLN A 58 -8.054 0.383 -2.247 1.00 0.00 N ATOM 869 CA GLN A 58 -8.319 0.116 -3.651 1.00 0.00 C ATOM 870 C GLN A 58 -9.555 0.889 -4.114 1.00 0.00 C ATOM 871 O GLN A 58 -9.478 1.690 -5.046 1.00 0.00 O ATOM 872 CB GLN A 58 -8.487 -1.384 -3.902 1.00 0.00 C ATOM 873 CG GLN A 58 -7.154 -2.027 -4.289 1.00 0.00 C ATOM 874 CD GLN A 58 -7.375 -3.281 -5.136 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.389 -3.955 -5.042 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.374 -3.557 -5.967 1.00 0.00 N ATOM 0 H GLN A 58 -8.530 -0.242 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.462 0.455 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.880 -1.865 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.216 -1.544 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.549 -1.311 -4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.596 -2.286 -3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.554 -2.952 -5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.427 -4.374 -6.575 1.00 0.00 H new ATOM 885 N GLY A 59 -10.666 0.625 -3.443 1.00 0.00 N ATOM 886 CA GLY A 59 -11.917 1.286 -3.773 1.00 0.00 C ATOM 887 C GLY A 59 -11.792 2.804 -3.619 1.00 0.00 C ATOM 888 O GLY A 59 -12.422 3.560 -4.356 1.00 0.00 O ATOM 0 H GLY A 59 -10.726 -0.039 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.202 1.043 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.711 0.915 -3.124 1.00 0.00 H new ATOM 892 N LEU A 60 -10.974 3.203 -2.655 1.00 0.00 N ATOM 893 CA LEU A 60 -10.758 4.616 -2.395 1.00 0.00 C ATOM 894 C LEU A 60 -9.646 5.135 -3.308 1.00 0.00 C ATOM 895 O LEU A 60 -9.435 6.342 -3.411 1.00 0.00 O ATOM 896 CB LEU A 60 -10.493 4.852 -0.907 1.00 0.00 C ATOM 897 CG LEU A 60 -9.764 6.150 -0.554 1.00 0.00 C ATOM 898 CD1 LEU A 60 -10.723 7.341 -0.580 1.00 0.00 C ATOM 899 CD2 LEU A 60 -9.042 6.025 0.790 1.00 0.00 C ATOM 0 H LEU A 60 -10.453 2.572 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.656 5.188 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.448 4.840 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.909 4.015 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.003 6.332 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.180 8.251 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.152 7.441 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.522 7.181 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.532 6.961 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.767 5.807 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.312 5.217 0.737 1.00 0.00 H new ATOM 911 N GLN A 61 -8.965 4.197 -3.949 1.00 0.00 N ATOM 912 CA GLN A 61 -7.879 4.544 -4.851 1.00 0.00 C ATOM 913 C GLN A 61 -8.230 5.805 -5.643 1.00 0.00 C ATOM 914 O GLN A 61 -9.393 6.029 -5.976 1.00 0.00 O ATOM 915 CB GLN A 61 -7.551 3.381 -5.788 1.00 0.00 C ATOM 916 CG GLN A 61 -6.435 3.759 -6.763 1.00 0.00 C ATOM 917 CD GLN A 61 -5.406 2.633 -6.885 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.445 1.643 -6.173 1.00 0.00 O ATOM 919 NE2 GLN A 61 -4.487 2.839 -7.824 1.00 0.00 N ATOM 0 H GLN A 61 -9.144 3.197 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.989 4.748 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.249 2.512 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.444 3.095 -6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.861 3.974 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.943 4.670 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.513 3.691 -8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.756 2.145 -7.983 1.00 0.00 H new ATOM 928 N GLY A 62 -7.204 6.594 -5.922 1.00 0.00 N ATOM 929 CA GLY A 62 -7.390 7.827 -6.669 1.00 0.00 C ATOM 930 C GLY A 62 -7.493 9.029 -5.729 1.00 0.00 C ATOM 931 O GLY A 62 -7.502 10.174 -6.177 1.00 0.00 O ATOM 0 H GLY A 62 -6.241 6.404 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.556 7.969 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.293 7.756 -7.275 1.00 0.00 H new ATOM 935 N ASP A 63 -7.567 8.726 -4.441 1.00 0.00 N ATOM 936 CA ASP A 63 -7.669 9.768 -3.432 1.00 0.00 C ATOM 937 C ASP A 63 -6.386 9.791 -2.598 1.00 0.00 C ATOM 938 O ASP A 63 -5.950 10.851 -2.153 1.00 0.00 O ATOM 939 CB ASP A 63 -8.843 9.506 -2.487 1.00 0.00 C ATOM 940 CG ASP A 63 -9.727 10.722 -2.202 1.00 0.00 C ATOM 941 OD1 ASP A 63 -9.397 11.801 -2.740 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.711 10.545 -1.452 1.00 0.00 O ATOM 0 H ASP A 63 -7.558 7.775 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.823 10.719 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.463 8.717 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.452 9.130 -1.541 1.00 0.00 H new ATOM 947 N LEU A 64 -5.819 8.608 -2.411 1.00 0.00 N ATOM 948 CA LEU A 64 -4.595 8.480 -1.638 1.00 0.00 C ATOM 949 C LEU A 64 -3.702 7.415 -2.279 1.00 0.00 C ATOM 950 O LEU A 64 -2.714 6.988 -1.683 1.00 0.00 O ATOM 951 CB LEU A 64 -4.917 8.210 -0.168 1.00 0.00 C ATOM 952 CG LEU A 64 -5.465 6.818 0.155 1.00 0.00 C ATOM 953 CD1 LEU A 64 -6.279 6.266 -1.016 1.00 0.00 C ATOM 954 CD2 LEU A 64 -4.340 5.868 0.571 1.00 0.00 C ATOM 0 H LEU A 64 -6.184 7.730 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.035 9.415 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.010 8.366 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.643 8.951 0.166 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.142 6.905 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.657 5.276 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.116 6.932 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.644 6.196 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.757 4.886 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.619 5.779 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.841 6.261 1.457 1.00 0.00 H new ATOM 966 N ILE A 65 -4.081 7.017 -3.483 1.00 0.00 N ATOM 967 CA ILE A 65 -3.328 6.010 -4.210 1.00 0.00 C ATOM 968 C ILE A 65 -3.128 6.472 -5.655 1.00 0.00 C ATOM 969 O ILE A 65 -4.097 6.664 -6.389 1.00 0.00 O ATOM 970 CB ILE A 65 -4.005 4.643 -4.091 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.977 4.142 -2.645 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.381 3.635 -5.058 1.00 0.00 C ATOM 973 CD1 ILE A 65 -3.420 2.719 -2.568 1.00 0.00 C ATOM 0 H ILE A 65 -4.901 7.374 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.337 5.888 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.052 4.755 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.366 4.809 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.984 4.165 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.881 2.672 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.496 3.993 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.321 3.520 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.411 2.387 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.048 2.050 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.404 2.704 -2.962 1.00 0.00 H new ATOM 985 N ASP A 66 -1.866 6.639 -6.021 1.00 0.00 N ATOM 986 CA ASP A 66 -1.527 7.076 -7.364 1.00 0.00 C ATOM 987 C ASP A 66 -1.603 5.883 -8.319 1.00 0.00 C ATOM 988 O ASP A 66 -2.148 5.995 -9.416 1.00 0.00 O ATOM 989 CB ASP A 66 -0.104 7.635 -7.419 1.00 0.00 C ATOM 990 CG ASP A 66 0.030 8.995 -8.108 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.025 9.542 -8.494 1.00 0.00 O ATOM 992 OD2 ASP A 66 1.186 9.456 -8.234 1.00 0.00 O ATOM 0 H ASP A 66 -1.065 6.479 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.232 7.855 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.276 7.721 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.532 6.918 -7.937 1.00 0.00 H new ATOM 997 N SER A 67 -1.050 4.767 -7.865 1.00 0.00 N ATOM 998 CA SER A 67 -1.048 3.554 -8.665 1.00 0.00 C ATOM 999 C SER A 67 -0.968 2.327 -7.754 1.00 0.00 C ATOM 1000 O SER A 67 -0.326 2.368 -6.707 1.00 0.00 O ATOM 1001 CB SER A 67 0.113 3.552 -9.661 1.00 0.00 C ATOM 1002 OG SER A 67 -0.202 4.273 -10.849 1.00 0.00 O ATOM 0 H SER A 67 -0.601 4.678 -6.954 1.00 0.00 H new ATOM 0 HA SER A 67 -1.978 3.518 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.993 3.992 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.369 2.524 -9.918 1.00 0.00 H new ATOM 0 HG SER A 67 -0.897 4.936 -10.655 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.630 1.264 -8.189 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.643 0.028 -7.425 1.00 0.00 C ATOM 1010 C ILE A 68 -1.188 -1.125 -8.323 1.00 0.00 C ATOM 1011 O ILE A 68 -1.762 -1.350 -9.387 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.015 -0.194 -6.786 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.880 -0.873 -5.421 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.938 -0.973 -7.726 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.057 0.138 -4.286 1.00 0.00 C ATOM 0 H ILE A 68 -2.160 1.233 -9.060 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.938 0.085 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.476 0.779 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.625 -1.663 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.902 -1.347 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.907 -1.117 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.070 -0.414 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.495 -1.944 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.956 -0.370 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.295 0.913 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.046 0.592 -4.354 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.163 -1.825 -7.860 1.00 0.00 N ATOM 1028 CA GLU A 69 0.374 -2.949 -8.608 1.00 0.00 C ATOM 1029 C GLU A 69 0.389 -4.207 -7.738 1.00 0.00 C ATOM 1030 O GLU A 69 1.439 -4.607 -7.236 1.00 0.00 O ATOM 1031 CB GLU A 69 1.773 -2.634 -9.142 1.00 0.00 C ATOM 1032 CG GLU A 69 2.239 -3.708 -10.126 1.00 0.00 C ATOM 1033 CD GLU A 69 3.389 -3.195 -10.994 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.298 -2.561 -10.416 1.00 0.00 O ATOM 1035 OE2 GLU A 69 3.334 -3.447 -12.217 1.00 0.00 O ATOM 0 H GLU A 69 0.310 -1.636 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.273 -3.132 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.768 -1.662 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.476 -2.567 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.560 -4.594 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.406 -4.010 -10.761 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.787 -4.796 -7.585 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.922 -6.002 -6.784 1.00 0.00 C ATOM 1044 C GLU A 70 -0.218 -7.175 -7.467 1.00 0.00 C ATOM 1045 O GLU A 70 -0.455 -7.446 -8.643 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.395 -6.324 -6.521 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.026 -7.024 -7.726 1.00 0.00 C ATOM 1048 CD GLU A 70 -2.977 -8.545 -7.564 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.863 -9.068 -6.855 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -2.054 -9.148 -8.153 1.00 0.00 O ATOM 0 H GLU A 70 -1.656 -4.461 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.444 -5.829 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.480 -6.960 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.939 -5.405 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.061 -6.700 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.500 -6.734 -8.636 1.00 0.00 H new ATOM 1057 N ASP A 71 0.633 -7.840 -6.700 1.00 0.00 N ATOM 1058 CA ASP A 71 1.374 -8.979 -7.218 1.00 0.00 C ATOM 1059 C ASP A 71 1.104 -10.201 -6.337 1.00 0.00 C ATOM 1060 O ASP A 71 1.848 -11.179 -6.380 1.00 0.00 O ATOM 1061 CB ASP A 71 2.880 -8.709 -7.202 1.00 0.00 C ATOM 1062 CG ASP A 71 3.706 -9.600 -8.133 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.100 -10.145 -9.081 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.923 -9.716 -7.875 1.00 0.00 O ATOM 0 H ASP A 71 0.826 -7.613 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 71 1.049 -9.155 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.050 -7.667 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.246 -8.836 -6.183 1.00 0.00 H new ATOM 1069 N GLY A 72 0.036 -10.104 -5.558 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.342 -11.188 -4.668 1.00 0.00 C ATOM 1071 C GLY A 72 -0.622 -12.470 -5.454 1.00 0.00 C ATOM 1072 O GLY A 72 -1.185 -12.421 -6.547 1.00 0.00 O ATOM 0 H GLY A 72 -0.579 -9.291 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.456 -11.366 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.228 -10.905 -4.100 1.00 0.00 H new