USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -170:sc= -0.189 (180deg=-0.353) USER MOD Single : A 2 SER OG : rot -176:sc= -0.989 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= -0.0872 X(o=-0.087,f=-0.31) USER MOD Single : A 15 SER OG : rot 180:sc= -0.537 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000572 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0361) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.04 K(o=-1,f=-4.3!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -124:sc= -4.51! (180deg=-8.89!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 52 GLN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 53 SER OG : rot 140:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -3.88! C(o=-3.9!,f=-3.5!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 67 SER OG : rot 6:sc= 0.0752 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.123 -14.097 3.176 1.00 0.00 N ATOM 2 CA GLY A 1 3.270 -15.075 3.831 1.00 0.00 C ATOM 3 C GLY A 1 1.793 -14.785 3.558 1.00 0.00 C ATOM 4 O GLY A 1 0.954 -15.679 3.650 1.00 0.00 O ATOM 0 H1 GLY A 1 5.114 -14.408 3.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.845 -14.007 2.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.021 -13.176 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.519 -16.075 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.454 -15.062 4.905 1.00 0.00 H new ATOM 8 N SER A 2 1.521 -13.531 3.227 1.00 0.00 N ATOM 9 CA SER A 2 0.159 -13.112 2.939 1.00 0.00 C ATOM 10 C SER A 2 -0.300 -13.705 1.607 1.00 0.00 C ATOM 11 O SER A 2 0.020 -14.850 1.289 1.00 0.00 O ATOM 12 CB SER A 2 0.047 -11.586 2.907 1.00 0.00 C ATOM 13 OG SER A 2 0.868 -10.970 3.897 1.00 0.00 O ATOM 0 H SER A 2 2.220 -12.792 3.152 1.00 0.00 H new ATOM 0 HA SER A 2 -0.487 -13.480 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.334 -11.222 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.992 -11.295 3.065 1.00 0.00 H new ATOM 0 HG SER A 2 0.722 -10.001 3.886 1.00 0.00 H new ATOM 19 N ALA A 3 -1.044 -12.901 0.862 1.00 0.00 N ATOM 20 CA ALA A 3 -1.550 -13.332 -0.430 1.00 0.00 C ATOM 21 C ALA A 3 -0.567 -12.912 -1.525 1.00 0.00 C ATOM 22 O ALA A 3 -0.954 -12.748 -2.682 1.00 0.00 O ATOM 23 CB ALA A 3 -2.949 -12.753 -0.649 1.00 0.00 C ATOM 0 H ALA A 3 -1.309 -11.953 1.129 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.637 -14.418 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.329 -13.076 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.616 -13.105 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.900 -11.664 -0.623 1.00 0.00 H new ATOM 29 N GLY A 4 0.683 -12.749 -1.121 1.00 0.00 N ATOM 30 CA GLY A 4 1.725 -12.352 -2.053 1.00 0.00 C ATOM 31 C GLY A 4 2.240 -10.947 -1.734 1.00 0.00 C ATOM 32 O GLY A 4 1.876 -10.366 -0.712 1.00 0.00 O ATOM 0 H GLY A 4 0.999 -12.884 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.549 -13.064 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.337 -12.378 -3.071 1.00 0.00 H new ATOM 36 N LYS A 5 3.079 -10.441 -2.626 1.00 0.00 N ATOM 37 CA LYS A 5 3.648 -9.115 -2.451 1.00 0.00 C ATOM 38 C LYS A 5 2.946 -8.136 -3.395 1.00 0.00 C ATOM 39 O LYS A 5 2.566 -8.503 -4.506 1.00 0.00 O ATOM 40 CB LYS A 5 5.166 -9.157 -2.626 1.00 0.00 C ATOM 41 CG LYS A 5 5.845 -9.748 -1.388 1.00 0.00 C ATOM 42 CD LYS A 5 7.348 -9.922 -1.618 1.00 0.00 C ATOM 43 CE LYS A 5 7.993 -10.691 -0.463 1.00 0.00 C ATOM 44 NZ LYS A 5 9.015 -11.631 -0.973 1.00 0.00 N ATOM 0 H LYS A 5 3.379 -10.925 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 5 3.478 -8.757 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.418 -9.753 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.543 -8.150 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.678 -9.096 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.396 -10.712 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.517 -10.455 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.820 -8.945 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.451 -9.992 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.229 -11.239 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.443 -12.145 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.569 -12.310 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.753 -11.101 -1.479 1.00 0.00 H new ATOM 58 N PHE A 6 2.796 -6.909 -2.919 1.00 0.00 N ATOM 59 CA PHE A 6 2.148 -5.874 -3.706 1.00 0.00 C ATOM 60 C PHE A 6 3.006 -4.608 -3.761 1.00 0.00 C ATOM 61 O PHE A 6 3.935 -4.449 -2.970 1.00 0.00 O ATOM 62 CB PHE A 6 0.823 -5.549 -3.013 1.00 0.00 C ATOM 63 CG PHE A 6 -0.189 -6.696 -3.034 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.106 -7.874 -2.420 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.382 -6.539 -3.668 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.834 -8.939 -2.440 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.321 -7.604 -3.689 1.00 0.00 C ATOM 68 CZ PHE A 6 -2.027 -8.781 -3.074 1.00 0.00 C ATOM 0 H PHE A 6 3.112 -6.608 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 6 1.998 -6.223 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.024 -5.275 -1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.378 -4.677 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.054 -7.999 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.615 -5.604 -4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.601 -9.874 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.268 -7.480 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.741 -9.591 -3.089 1.00 0.00 H new ATOM 78 N ILE A 7 2.664 -3.742 -4.702 1.00 0.00 N ATOM 79 CA ILE A 7 3.391 -2.495 -4.871 1.00 0.00 C ATOM 80 C ILE A 7 2.400 -1.367 -5.166 1.00 0.00 C ATOM 81 O ILE A 7 1.924 -1.233 -6.293 1.00 0.00 O ATOM 82 CB ILE A 7 4.481 -2.649 -5.934 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.783 -4.126 -6.198 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.738 -1.867 -5.547 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.955 -4.281 -7.170 1.00 0.00 C ATOM 0 H ILE A 7 1.893 -3.878 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 7 3.911 -2.231 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 7 4.112 -2.224 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.017 -4.627 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.899 -4.614 -6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.497 -1.993 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.493 -0.810 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.121 -2.241 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.149 -5.340 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.709 -3.800 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.844 -3.813 -6.746 1.00 0.00 H new ATOM 97 N VAL A 8 2.118 -0.585 -4.135 1.00 0.00 N ATOM 98 CA VAL A 8 1.192 0.527 -4.270 1.00 0.00 C ATOM 99 C VAL A 8 1.962 1.844 -4.152 1.00 0.00 C ATOM 100 O VAL A 8 3.035 1.888 -3.552 1.00 0.00 O ATOM 101 CB VAL A 8 0.066 0.398 -3.242 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.259 -1.071 -2.966 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.418 1.135 -1.948 1.00 0.00 C ATOM 0 H VAL A 8 2.514 -0.699 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 8 0.720 0.514 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.825 0.865 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.062 -1.134 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.574 -1.554 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.627 -1.573 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.399 1.028 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.328 0.711 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.576 2.192 -2.163 1.00 0.00 H new ATOM 113 N ILE A 9 1.385 2.884 -4.733 1.00 0.00 N ATOM 114 CA ILE A 9 2.003 4.199 -4.700 1.00 0.00 C ATOM 115 C ILE A 9 0.959 5.239 -4.284 1.00 0.00 C ATOM 116 O ILE A 9 -0.230 4.935 -4.213 1.00 0.00 O ATOM 117 CB ILE A 9 2.679 4.507 -6.038 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.200 4.550 -5.887 1.00 0.00 C ATOM 119 CG2 ILE A 9 2.126 5.797 -6.648 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.798 3.144 -5.955 1.00 0.00 C ATOM 0 H ILE A 9 0.495 2.844 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 9 2.797 4.228 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 9 2.448 3.698 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.630 5.170 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.462 5.015 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.623 5.993 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.054 5.690 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.306 6.628 -5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.881 3.203 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.385 2.534 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.555 2.692 -6.917 1.00 0.00 H new ATOM 132 N PHE A 10 1.444 6.443 -4.021 1.00 0.00 N ATOM 133 CA PHE A 10 0.570 7.529 -3.614 1.00 0.00 C ATOM 134 C PHE A 10 0.831 8.785 -4.446 1.00 0.00 C ATOM 135 O PHE A 10 1.978 9.095 -4.765 1.00 0.00 O ATOM 136 CB PHE A 10 0.882 7.829 -2.147 1.00 0.00 C ATOM 137 CG PHE A 10 1.087 6.582 -1.285 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.191 5.560 -1.343 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.166 6.493 -0.462 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.381 4.402 -0.545 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.356 5.335 0.337 1.00 0.00 C ATOM 142 CZ PHE A 10 1.460 4.313 0.278 1.00 0.00 C ATOM 0 H PHE A 10 2.432 6.690 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.471 7.241 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.780 8.445 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.067 8.419 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.666 5.630 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.878 7.303 -0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.331 3.591 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.212 5.265 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.606 3.431 0.885 1.00 0.00 H new ATOM 152 N LYS A 11 -0.252 9.475 -4.774 1.00 0.00 N ATOM 153 CA LYS A 11 -0.154 10.691 -5.564 1.00 0.00 C ATOM 154 C LYS A 11 0.861 11.635 -4.915 1.00 0.00 C ATOM 155 O LYS A 11 1.378 11.350 -3.836 1.00 0.00 O ATOM 156 CB LYS A 11 -1.537 11.316 -5.759 1.00 0.00 C ATOM 157 CG LYS A 11 -2.183 11.647 -4.413 1.00 0.00 C ATOM 158 CD LYS A 11 -3.642 12.073 -4.595 1.00 0.00 C ATOM 159 CE LYS A 11 -3.739 13.368 -5.404 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.121 13.573 -5.892 1.00 0.00 N ATOM 0 H LYS A 11 -1.202 9.215 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 11 0.213 10.466 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.449 12.223 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.176 10.629 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.133 10.777 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.625 12.446 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.195 11.282 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.108 12.214 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.436 14.213 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.051 13.328 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.169 14.456 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.397 12.775 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.770 13.632 -5.082 1.00 0.00 H new ATOM 174 N ASN A 12 1.117 12.739 -5.601 1.00 0.00 N ATOM 175 CA ASN A 12 2.061 13.726 -5.105 1.00 0.00 C ATOM 176 C ASN A 12 1.310 14.775 -4.283 1.00 0.00 C ATOM 177 O ASN A 12 1.648 15.957 -4.322 1.00 0.00 O ATOM 178 CB ASN A 12 2.764 14.444 -6.260 1.00 0.00 C ATOM 179 CG ASN A 12 4.269 14.545 -6.007 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.925 13.593 -5.619 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.778 15.750 -6.247 1.00 0.00 N ATOM 0 H ASN A 12 0.687 12.972 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 12 2.803 13.208 -4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.583 13.907 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.344 15.443 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.774 15.920 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.172 16.504 -6.571 1.00 0.00 H new ATOM 188 N ASP A 13 0.306 14.305 -3.558 1.00 0.00 N ATOM 189 CA ASP A 13 -0.496 15.188 -2.728 1.00 0.00 C ATOM 190 C ASP A 13 -0.489 14.671 -1.288 1.00 0.00 C ATOM 191 O ASP A 13 -0.355 15.450 -0.345 1.00 0.00 O ATOM 192 CB ASP A 13 -1.947 15.231 -3.208 1.00 0.00 C ATOM 193 CG ASP A 13 -2.826 16.275 -2.519 1.00 0.00 C ATOM 194 OD1 ASP A 13 -3.092 16.086 -1.312 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.214 17.238 -3.214 1.00 0.00 O ATOM 0 H ASP A 13 0.029 13.324 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.068 16.189 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.953 15.424 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.392 14.247 -3.058 1.00 0.00 H new ATOM 200 N VAL A 14 -0.637 13.360 -1.163 1.00 0.00 N ATOM 201 CA VAL A 14 -0.650 12.730 0.146 1.00 0.00 C ATOM 202 C VAL A 14 0.401 13.393 1.038 1.00 0.00 C ATOM 203 O VAL A 14 1.392 13.929 0.543 1.00 0.00 O ATOM 204 CB VAL A 14 -0.446 11.221 0.003 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.548 10.906 -1.118 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.006 10.599 1.326 1.00 0.00 C ATOM 0 H VAL A 14 -0.749 12.717 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.618 12.870 0.626 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.405 10.778 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.675 9.826 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.169 11.298 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.509 11.369 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.143 9.526 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.948 11.050 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.751 10.778 2.089 1.00 0.00 H new ATOM 216 N SER A 15 0.150 13.337 2.338 1.00 0.00 N ATOM 217 CA SER A 15 1.063 13.925 3.303 1.00 0.00 C ATOM 218 C SER A 15 2.092 12.887 3.750 1.00 0.00 C ATOM 219 O SER A 15 1.899 11.689 3.550 1.00 0.00 O ATOM 220 CB SER A 15 0.304 14.477 4.513 1.00 0.00 C ATOM 221 OG SER A 15 0.115 13.487 5.520 1.00 0.00 O ATOM 0 H SER A 15 -0.673 12.893 2.745 1.00 0.00 H new ATOM 0 HA SER A 15 1.581 14.755 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.853 15.320 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.666 14.856 4.191 1.00 0.00 H new ATOM 0 HG SER A 15 -0.371 13.878 6.276 1.00 0.00 H new ATOM 227 N GLU A 16 3.166 13.383 4.348 1.00 0.00 N ATOM 228 CA GLU A 16 4.227 12.513 4.825 1.00 0.00 C ATOM 229 C GLU A 16 3.712 11.620 5.956 1.00 0.00 C ATOM 230 O GLU A 16 3.958 10.415 5.960 1.00 0.00 O ATOM 231 CB GLU A 16 5.441 13.326 5.278 1.00 0.00 C ATOM 232 CG GLU A 16 6.543 12.412 5.816 1.00 0.00 C ATOM 233 CD GLU A 16 7.378 11.829 4.675 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.204 12.591 4.127 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.171 10.633 4.374 1.00 0.00 O ATOM 0 H GLU A 16 3.324 14.377 4.513 1.00 0.00 H new ATOM 0 HA GLU A 16 4.546 11.875 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.824 13.910 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.141 14.034 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.187 12.973 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.099 11.603 6.396 1.00 0.00 H new ATOM 242 N ASP A 17 3.008 12.246 6.886 1.00 0.00 N ATOM 243 CA ASP A 17 2.458 11.523 8.020 1.00 0.00 C ATOM 244 C ASP A 17 1.486 10.454 7.515 1.00 0.00 C ATOM 245 O ASP A 17 1.465 9.337 8.027 1.00 0.00 O ATOM 246 CB ASP A 17 1.686 12.461 8.951 1.00 0.00 C ATOM 247 CG ASP A 17 1.368 11.886 10.332 1.00 0.00 C ATOM 248 OD1 ASP A 17 0.528 10.961 10.382 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.972 12.383 11.307 1.00 0.00 O ATOM 0 H ASP A 17 2.805 13.246 6.878 1.00 0.00 H new ATOM 0 HA ASP A 17 3.287 11.074 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.264 13.376 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.750 12.740 8.466 1.00 0.00 H new ATOM 254 N LYS A 18 0.703 10.837 6.516 1.00 0.00 N ATOM 255 CA LYS A 18 -0.268 9.926 5.935 1.00 0.00 C ATOM 256 C LYS A 18 0.460 8.712 5.354 1.00 0.00 C ATOM 257 O LYS A 18 0.049 7.573 5.572 1.00 0.00 O ATOM 258 CB LYS A 18 -1.149 10.658 4.921 1.00 0.00 C ATOM 259 CG LYS A 18 -2.571 10.837 5.458 1.00 0.00 C ATOM 260 CD LYS A 18 -3.579 10.959 4.313 1.00 0.00 C ATOM 261 CE LYS A 18 -5.010 10.776 4.820 1.00 0.00 C ATOM 262 NZ LYS A 18 -5.384 9.344 4.814 1.00 0.00 N ATOM 0 H LYS A 18 0.722 11.766 6.095 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.947 9.553 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.717 11.633 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.177 10.097 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.834 9.989 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.617 11.728 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.480 11.935 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.361 10.211 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.098 11.176 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.699 11.340 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.359 9.238 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.320 8.972 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.737 8.814 5.432 1.00 0.00 H new ATOM 276 N ILE A 19 1.529 8.997 4.626 1.00 0.00 N ATOM 277 CA ILE A 19 2.320 7.943 4.012 1.00 0.00 C ATOM 278 C ILE A 19 2.748 6.942 5.087 1.00 0.00 C ATOM 279 O ILE A 19 2.431 5.756 4.998 1.00 0.00 O ATOM 280 CB ILE A 19 3.488 8.539 3.225 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.347 8.248 1.730 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.828 8.052 3.780 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.405 9.001 0.922 1.00 0.00 C ATOM 0 H ILE A 19 1.867 9.943 4.447 1.00 0.00 H new ATOM 0 HA ILE A 19 1.724 7.393 3.283 1.00 0.00 H new ATOM 0 HB ILE A 19 3.464 9.622 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.444 7.177 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.352 8.538 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.642 8.491 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.920 8.353 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.878 6.965 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.282 8.776 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.290 10.073 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.399 8.691 1.246 1.00 0.00 H new ATOM 295 N ARG A 20 3.464 7.455 6.077 1.00 0.00 N ATOM 296 CA ARG A 20 3.940 6.621 7.168 1.00 0.00 C ATOM 297 C ARG A 20 2.766 5.908 7.841 1.00 0.00 C ATOM 298 O ARG A 20 2.919 4.800 8.354 1.00 0.00 O ATOM 299 CB ARG A 20 4.689 7.452 8.210 1.00 0.00 C ATOM 300 CG ARG A 20 5.960 8.063 7.615 1.00 0.00 C ATOM 301 CD ARG A 20 7.168 7.804 8.516 1.00 0.00 C ATOM 302 NE ARG A 20 8.247 8.768 8.206 1.00 0.00 N ATOM 303 CZ ARG A 20 9.522 8.618 8.589 1.00 0.00 C ATOM 304 NH1 ARG A 20 9.886 7.541 9.299 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.433 9.545 8.263 1.00 0.00 N ATOM 0 H ARG A 20 3.726 8.438 6.146 1.00 0.00 H new ATOM 0 HA ARG A 20 4.625 5.884 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.040 8.245 8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.948 6.825 9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.142 7.641 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.824 9.136 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.877 7.895 9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.527 6.785 8.372 1.00 0.00 H new ATOM 0 HE ARG A 20 8.005 9.599 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.192 6.836 9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.857 7.427 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.156 10.365 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.404 9.431 8.555 1.00 0.00 H new ATOM 319 N GLU A 21 1.620 6.572 7.819 1.00 0.00 N ATOM 320 CA GLU A 21 0.420 6.015 8.421 1.00 0.00 C ATOM 321 C GLU A 21 -0.056 4.796 7.628 1.00 0.00 C ATOM 322 O GLU A 21 -0.005 3.671 8.122 1.00 0.00 O ATOM 323 CB GLU A 21 -0.683 7.070 8.521 1.00 0.00 C ATOM 324 CG GLU A 21 -0.449 7.996 9.715 1.00 0.00 C ATOM 325 CD GLU A 21 -1.659 7.999 10.652 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.770 8.264 10.144 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.446 7.738 11.856 1.00 0.00 O ATOM 0 H GLU A 21 1.497 7.491 7.394 1.00 0.00 H new ATOM 0 HA GLU A 21 0.661 5.692 9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.715 7.656 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.652 6.580 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.438 7.674 10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.255 9.009 9.362 1.00 0.00 H new ATOM 334 N THR A 22 -0.507 5.062 6.411 1.00 0.00 N ATOM 335 CA THR A 22 -0.992 4.002 5.544 1.00 0.00 C ATOM 336 C THR A 22 -0.087 2.773 5.648 1.00 0.00 C ATOM 337 O THR A 22 -0.561 1.640 5.574 1.00 0.00 O ATOM 338 CB THR A 22 -1.096 4.562 4.124 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.039 5.624 4.237 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.755 3.580 3.153 1.00 0.00 C ATOM 0 H THR A 22 -0.547 5.997 6.005 1.00 0.00 H new ATOM 0 HA THR A 22 -1.983 3.664 5.848 1.00 0.00 H new ATOM 0 HB THR A 22 -0.100 4.817 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.165 6.044 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.804 4.027 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.168 2.663 3.109 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.763 3.350 3.497 1.00 0.00 H new ATOM 348 N LYS A 23 1.199 3.038 5.817 1.00 0.00 N ATOM 349 CA LYS A 23 2.175 1.967 5.932 1.00 0.00 C ATOM 350 C LYS A 23 1.946 1.212 7.244 1.00 0.00 C ATOM 351 O LYS A 23 1.774 -0.006 7.242 1.00 0.00 O ATOM 352 CB LYS A 23 3.595 2.517 5.779 1.00 0.00 C ATOM 353 CG LYS A 23 3.952 2.710 4.304 1.00 0.00 C ATOM 354 CD LYS A 23 5.442 3.012 4.136 1.00 0.00 C ATOM 355 CE LYS A 23 5.669 4.489 3.808 1.00 0.00 C ATOM 356 NZ LYS A 23 7.056 4.709 3.339 1.00 0.00 N ATOM 0 H LYS A 23 1.589 3.979 5.877 1.00 0.00 H new ATOM 0 HA LYS A 23 2.048 1.248 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.679 3.468 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.306 1.833 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.694 1.812 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.362 3.527 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.975 2.753 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.855 2.392 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.964 4.810 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.477 5.098 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.224 5.728 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.724 4.329 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.196 4.225 2.429 1.00 0.00 H new ATOM 370 N ASP A 24 1.953 1.967 8.332 1.00 0.00 N ATOM 371 CA ASP A 24 1.748 1.386 9.647 1.00 0.00 C ATOM 372 C ASP A 24 0.347 0.773 9.717 1.00 0.00 C ATOM 373 O ASP A 24 0.164 -0.304 10.281 1.00 0.00 O ATOM 374 CB ASP A 24 1.855 2.448 10.743 1.00 0.00 C ATOM 375 CG ASP A 24 3.183 2.464 11.501 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.756 1.365 11.665 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.596 3.575 11.899 1.00 0.00 O ATOM 0 H ASP A 24 2.098 2.977 8.330 1.00 0.00 H new ATOM 0 HA ASP A 24 2.516 0.629 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.699 3.429 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.048 2.293 11.458 1.00 0.00 H new ATOM 382 N GLU A 25 -0.605 1.488 9.136 1.00 0.00 N ATOM 383 CA GLU A 25 -1.985 1.029 9.126 1.00 0.00 C ATOM 384 C GLU A 25 -2.058 -0.418 8.633 1.00 0.00 C ATOM 385 O GLU A 25 -2.789 -1.232 9.196 1.00 0.00 O ATOM 386 CB GLU A 25 -2.860 1.945 8.268 1.00 0.00 C ATOM 387 CG GLU A 25 -3.563 2.996 9.130 1.00 0.00 C ATOM 388 CD GLU A 25 -4.714 3.653 8.365 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.406 4.456 7.458 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.874 3.336 8.704 1.00 0.00 O ATOM 0 H GLU A 25 -0.449 2.381 8.669 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.368 1.065 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.246 2.439 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.602 1.351 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.945 2.530 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.846 3.757 9.439 1.00 0.00 H new ATOM 397 N VAL A 26 -1.291 -0.694 7.589 1.00 0.00 N ATOM 398 CA VAL A 26 -1.261 -2.028 7.015 1.00 0.00 C ATOM 399 C VAL A 26 -0.550 -2.978 7.981 1.00 0.00 C ATOM 400 O VAL A 26 -0.974 -4.119 8.160 1.00 0.00 O ATOM 401 CB VAL A 26 -0.611 -1.988 5.630 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.804 -2.566 5.672 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.473 -2.719 4.599 1.00 0.00 C ATOM 0 H VAL A 26 -0.686 -0.016 7.126 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.274 -2.405 6.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.537 -0.944 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.243 -2.526 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.415 -1.983 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.764 -3.602 6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.989 -2.676 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.594 -3.760 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.452 -2.243 4.540 1.00 0.00 H new ATOM 413 N ILE A 27 0.519 -2.472 8.580 1.00 0.00 N ATOM 414 CA ILE A 27 1.292 -3.261 9.523 1.00 0.00 C ATOM 415 C ILE A 27 0.365 -3.784 10.624 1.00 0.00 C ATOM 416 O ILE A 27 0.300 -4.988 10.865 1.00 0.00 O ATOM 417 CB ILE A 27 2.480 -2.454 10.050 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.350 -1.944 8.900 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.287 -3.265 11.064 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.497 -2.914 8.609 1.00 0.00 C ATOM 0 H ILE A 27 0.867 -1.525 8.430 1.00 0.00 H new ATOM 0 HA ILE A 27 1.723 -4.132 9.029 1.00 0.00 H new ATOM 0 HB ILE A 27 2.094 -1.579 10.573 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.740 -1.818 8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.753 -0.963 9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.125 -2.668 11.423 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.648 -3.535 11.905 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.664 -4.171 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.100 -2.528 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.119 -3.019 9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.090 -3.887 8.334 1.00 0.00 H new ATOM 432 N ALA A 28 -0.327 -2.851 11.262 1.00 0.00 N ATOM 433 CA ALA A 28 -1.245 -3.203 12.331 1.00 0.00 C ATOM 434 C ALA A 28 -2.407 -4.015 11.754 1.00 0.00 C ATOM 435 O ALA A 28 -2.919 -4.922 12.408 1.00 0.00 O ATOM 436 CB ALA A 28 -1.719 -1.930 13.037 1.00 0.00 C ATOM 0 H ALA A 28 -0.270 -1.853 11.059 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.746 -3.824 13.075 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.408 -2.194 13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.860 -1.404 13.454 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.227 -1.284 12.321 1.00 0.00 H new ATOM 442 N GLU A 29 -2.786 -3.661 10.535 1.00 0.00 N ATOM 443 CA GLU A 29 -3.877 -4.347 9.862 1.00 0.00 C ATOM 444 C GLU A 29 -3.488 -5.795 9.560 1.00 0.00 C ATOM 445 O GLU A 29 -3.981 -6.721 10.203 1.00 0.00 O ATOM 446 CB GLU A 29 -4.282 -3.610 8.584 1.00 0.00 C ATOM 447 CG GLU A 29 -5.521 -4.248 7.954 1.00 0.00 C ATOM 448 CD GLU A 29 -6.763 -3.388 8.195 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.859 -2.828 9.309 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.590 -3.310 7.261 1.00 0.00 O ATOM 0 H GLU A 29 -2.358 -2.909 9.996 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.741 -4.355 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.483 -2.563 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.457 -3.628 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.364 -4.375 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.676 -5.242 8.373 1.00 0.00 H new ATOM 457 N GLY A 30 -2.606 -5.946 8.583 1.00 0.00 N ATOM 458 CA GLY A 30 -2.144 -7.266 8.188 1.00 0.00 C ATOM 459 C GLY A 30 -0.877 -7.172 7.336 1.00 0.00 C ATOM 460 O GLY A 30 0.205 -7.545 7.783 1.00 0.00 O ATOM 0 H GLY A 30 -2.199 -5.176 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.946 -7.866 9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.927 -7.776 7.627 1.00 0.00 H new ATOM 464 N GLY A 31 -1.056 -6.670 6.123 1.00 0.00 N ATOM 465 CA GLY A 31 0.060 -6.522 5.203 1.00 0.00 C ATOM 466 C GLY A 31 1.302 -6.000 5.928 1.00 0.00 C ATOM 467 O GLY A 31 1.207 -5.500 7.047 1.00 0.00 O ATOM 0 H GLY A 31 -1.956 -6.361 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.283 -7.482 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.213 -5.836 4.402 1.00 0.00 H new ATOM 471 N THR A 32 2.438 -6.134 5.259 1.00 0.00 N ATOM 472 CA THR A 32 3.698 -5.682 5.825 1.00 0.00 C ATOM 473 C THR A 32 4.528 -4.954 4.766 1.00 0.00 C ATOM 474 O THR A 32 4.149 -4.913 3.596 1.00 0.00 O ATOM 475 CB THR A 32 4.408 -6.896 6.426 1.00 0.00 C ATOM 476 OG1 THR A 32 3.385 -7.881 6.532 1.00 0.00 O ATOM 477 CG2 THR A 32 4.851 -6.660 7.872 1.00 0.00 C ATOM 0 H THR A 32 2.512 -6.549 4.330 1.00 0.00 H new ATOM 0 HA THR A 32 3.536 -4.955 6.621 1.00 0.00 H new ATOM 0 HB THR A 32 5.277 -7.145 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.760 -8.703 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.349 -7.553 8.250 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.541 -5.817 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.979 -6.442 8.489 1.00 0.00 H new ATOM 485 N ILE A 33 5.644 -4.399 5.214 1.00 0.00 N ATOM 486 CA ILE A 33 6.531 -3.674 4.320 1.00 0.00 C ATOM 487 C ILE A 33 7.967 -4.154 4.534 1.00 0.00 C ATOM 488 O ILE A 33 8.451 -4.193 5.664 1.00 0.00 O ATOM 489 CB ILE A 33 6.354 -2.164 4.495 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.913 -1.823 4.878 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.810 -1.409 3.245 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.651 -0.321 4.742 1.00 0.00 C ATOM 0 H ILE A 33 5.955 -4.437 6.185 1.00 0.00 H new ATOM 0 HA ILE A 33 6.276 -3.882 3.281 1.00 0.00 H new ATOM 0 HB ILE A 33 6.992 -1.838 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.223 -2.376 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.721 -2.138 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.673 -0.338 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.863 -1.617 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.219 -1.733 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.619 -0.105 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.326 0.227 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.820 -0.014 3.710 1.00 0.00 H new ATOM 504 N THR A 34 8.610 -4.508 3.430 1.00 0.00 N ATOM 505 CA THR A 34 9.982 -4.984 3.484 1.00 0.00 C ATOM 506 C THR A 34 10.919 -3.991 2.791 1.00 0.00 C ATOM 507 O THR A 34 12.079 -3.855 3.175 1.00 0.00 O ATOM 508 CB THR A 34 10.021 -6.385 2.871 1.00 0.00 C ATOM 509 OG1 THR A 34 11.331 -6.859 3.171 1.00 0.00 O ATOM 510 CG2 THR A 34 9.976 -6.357 1.342 1.00 0.00 C ATOM 0 H THR A 34 8.206 -4.475 2.494 1.00 0.00 H new ATOM 0 HA THR A 34 10.336 -5.054 4.513 1.00 0.00 H new ATOM 0 HB THR A 34 9.182 -6.969 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.442 -7.764 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.006 -7.377 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.056 -5.873 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.834 -5.801 0.963 1.00 0.00 H new ATOM 518 N ASN A 35 10.379 -3.323 1.782 1.00 0.00 N ATOM 519 CA ASN A 35 11.151 -2.347 1.032 1.00 0.00 C ATOM 520 C ASN A 35 10.228 -1.216 0.575 1.00 0.00 C ATOM 521 O ASN A 35 9.365 -1.420 -0.279 1.00 0.00 O ATOM 522 CB ASN A 35 11.777 -2.979 -0.212 1.00 0.00 C ATOM 523 CG ASN A 35 12.446 -4.313 0.128 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.166 -4.444 1.103 1.00 0.00 O ATOM 525 ND2 ASN A 35 12.169 -5.291 -0.730 1.00 0.00 N ATOM 0 H ASN A 35 9.416 -3.439 1.466 1.00 0.00 H new ATOM 0 HA ASN A 35 11.941 -1.970 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.010 -3.136 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.513 -2.298 -0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.568 -6.219 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.557 -5.113 -1.527 1.00 0.00 H new ATOM 532 N GLU A 36 10.441 -0.048 1.162 1.00 0.00 N ATOM 533 CA GLU A 36 9.639 1.116 0.824 1.00 0.00 C ATOM 534 C GLU A 36 10.363 1.976 -0.214 1.00 0.00 C ATOM 535 O GLU A 36 11.552 1.786 -0.464 1.00 0.00 O ATOM 536 CB GLU A 36 9.304 1.932 2.074 1.00 0.00 C ATOM 537 CG GLU A 36 10.423 2.923 2.399 1.00 0.00 C ATOM 538 CD GLU A 36 11.712 2.190 2.780 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.438 1.793 1.843 1.00 0.00 O ATOM 540 OE2 GLU A 36 11.942 2.043 4.000 1.00 0.00 O ATOM 0 H GLU A 36 11.157 0.118 1.869 1.00 0.00 H new ATOM 0 HA GLU A 36 8.699 0.773 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.369 2.471 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.150 1.262 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.607 3.565 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.113 3.571 3.219 1.00 0.00 H new ATOM 547 N TYR A 37 9.613 2.906 -0.791 1.00 0.00 N ATOM 548 CA TYR A 37 10.168 3.796 -1.796 1.00 0.00 C ATOM 549 C TYR A 37 10.044 5.257 -1.364 1.00 0.00 C ATOM 550 O TYR A 37 9.074 5.931 -1.709 1.00 0.00 O ATOM 551 CB TYR A 37 9.334 3.577 -3.060 1.00 0.00 C ATOM 552 CG TYR A 37 9.506 2.193 -3.688 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.771 1.667 -3.862 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.398 1.470 -4.080 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.933 0.364 -4.454 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.561 0.167 -4.671 1.00 0.00 C ATOM 557 CZ TYR A 37 9.820 -0.321 -4.829 1.00 0.00 C ATOM 558 OH TYR A 37 9.973 -1.552 -5.388 1.00 0.00 O ATOM 0 H TYR A 37 8.627 3.061 -0.581 1.00 0.00 H new ATOM 0 HA TYR A 37 11.226 3.586 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.282 3.727 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.603 4.334 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.638 2.232 -3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.409 1.881 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.916 -0.059 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.702 -0.410 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 37 9.093 -1.924 -5.605 1.00 0.00 H new ATOM 568 N ASN A 38 11.039 5.706 -0.612 1.00 0.00 N ATOM 569 CA ASN A 38 11.052 7.076 -0.129 1.00 0.00 C ATOM 570 C ASN A 38 11.834 7.951 -1.110 1.00 0.00 C ATOM 571 O ASN A 38 12.975 8.325 -0.842 1.00 0.00 O ATOM 572 CB ASN A 38 11.736 7.171 1.237 1.00 0.00 C ATOM 573 CG ASN A 38 13.044 6.378 1.252 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.658 6.124 0.229 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.434 6.002 2.466 1.00 0.00 N ATOM 0 H ASN A 38 11.841 5.145 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 38 10.019 7.412 -0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.937 8.216 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.067 6.791 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.295 5.467 2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.872 6.248 3.281 1.00 0.00 H new ATOM 582 N MET A 39 11.189 8.253 -2.228 1.00 0.00 N ATOM 583 CA MET A 39 11.809 9.077 -3.251 1.00 0.00 C ATOM 584 C MET A 39 11.038 10.384 -3.444 1.00 0.00 C ATOM 585 O MET A 39 9.947 10.551 -2.902 1.00 0.00 O ATOM 586 CB MET A 39 11.848 8.307 -4.573 1.00 0.00 C ATOM 587 CG MET A 39 13.254 7.769 -4.852 1.00 0.00 C ATOM 588 SD MET A 39 13.163 6.058 -5.355 1.00 0.00 S ATOM 589 CE MET A 39 14.864 5.574 -5.116 1.00 0.00 C ATOM 0 H MET A 39 10.243 7.941 -2.447 1.00 0.00 H new ATOM 0 HA MET A 39 12.823 9.319 -2.931 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.139 7.480 -4.538 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.536 8.960 -5.388 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.731 8.361 -5.633 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.872 7.862 -3.959 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.985 4.525 -5.385 1.00 0.00 H new ATOM 0 HE2 MET A 39 15.509 6.187 -5.746 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.139 5.714 -4.071 1.00 0.00 H new ATOM 599 N PRO A 40 11.653 11.302 -4.238 1.00 0.00 N ATOM 600 CA PRO A 40 11.036 12.589 -4.510 1.00 0.00 C ATOM 601 C PRO A 40 9.884 12.446 -5.507 1.00 0.00 C ATOM 602 O PRO A 40 8.735 12.740 -5.180 1.00 0.00 O ATOM 603 CB PRO A 40 12.164 13.464 -5.030 1.00 0.00 C ATOM 604 CG PRO A 40 13.264 12.511 -5.467 1.00 0.00 C ATOM 605 CD PRO A 40 12.945 11.138 -4.897 1.00 0.00 C ATOM 0 HA PRO A 40 10.581 13.032 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.827 14.080 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.520 14.143 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.323 12.469 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.234 12.857 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.896 10.384 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.711 10.814 -4.192 1.00 0.00 H new ATOM 613 N GLY A 41 10.231 11.994 -6.703 1.00 0.00 N ATOM 614 CA GLY A 41 9.241 11.808 -7.750 1.00 0.00 C ATOM 615 C GLY A 41 8.480 10.493 -7.558 1.00 0.00 C ATOM 616 O GLY A 41 7.578 10.176 -8.331 1.00 0.00 O ATOM 0 H GLY A 41 11.185 11.751 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.540 12.642 -7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.731 11.810 -8.724 1.00 0.00 H new ATOM 620 N MET A 42 8.875 9.765 -6.525 1.00 0.00 N ATOM 621 CA MET A 42 8.243 8.491 -6.222 1.00 0.00 C ATOM 622 C MET A 42 7.881 8.398 -4.739 1.00 0.00 C ATOM 623 O MET A 42 8.695 8.723 -3.876 1.00 0.00 O ATOM 624 CB MET A 42 9.192 7.350 -6.589 1.00 0.00 C ATOM 625 CG MET A 42 8.514 6.354 -7.532 1.00 0.00 C ATOM 626 SD MET A 42 7.168 5.537 -6.693 1.00 0.00 S ATOM 627 CE MET A 42 6.608 4.447 -7.991 1.00 0.00 C ATOM 0 H MET A 42 9.625 10.032 -5.887 1.00 0.00 H new ATOM 0 HA MET A 42 7.326 8.414 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.086 7.754 -7.063 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.516 6.836 -5.684 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.141 6.873 -8.415 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.239 5.617 -7.878 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.549 4.622 -8.181 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.177 4.641 -8.900 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.755 3.411 -7.685 1.00 0.00 H new ATOM 637 N LYS A 43 6.658 7.952 -4.487 1.00 0.00 N ATOM 638 CA LYS A 43 6.179 7.811 -3.123 1.00 0.00 C ATOM 639 C LYS A 43 5.308 6.558 -3.020 1.00 0.00 C ATOM 640 O LYS A 43 4.092 6.627 -3.195 1.00 0.00 O ATOM 641 CB LYS A 43 5.473 9.091 -2.669 1.00 0.00 C ATOM 642 CG LYS A 43 6.467 10.076 -2.052 1.00 0.00 C ATOM 643 CD LYS A 43 6.015 11.521 -2.271 1.00 0.00 C ATOM 644 CE LYS A 43 5.200 12.028 -1.080 1.00 0.00 C ATOM 645 NZ LYS A 43 4.971 13.486 -1.192 1.00 0.00 N ATOM 0 H LYS A 43 5.985 7.684 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 43 7.015 7.675 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.974 9.557 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.700 8.845 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.564 9.879 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.452 9.929 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.886 12.160 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.416 11.585 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.244 11.506 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.726 11.807 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.416 13.814 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.886 13.981 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.450 13.689 -2.069 1.00 0.00 H new ATOM 659 N GLY A 44 5.963 5.442 -2.737 1.00 0.00 N ATOM 660 CA GLY A 44 5.263 4.176 -2.608 1.00 0.00 C ATOM 661 C GLY A 44 6.044 3.204 -1.721 1.00 0.00 C ATOM 662 O GLY A 44 7.003 3.598 -1.058 1.00 0.00 O ATOM 0 H GLY A 44 6.971 5.388 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.273 4.345 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.116 3.736 -3.594 1.00 0.00 H new ATOM 666 N PHE A 45 5.606 1.955 -1.736 1.00 0.00 N ATOM 667 CA PHE A 45 6.252 0.924 -0.941 1.00 0.00 C ATOM 668 C PHE A 45 5.919 -0.470 -1.475 1.00 0.00 C ATOM 669 O PHE A 45 4.932 -0.647 -2.187 1.00 0.00 O ATOM 670 CB PHE A 45 5.711 1.054 0.484 1.00 0.00 C ATOM 671 CG PHE A 45 4.270 0.567 0.650 1.00 0.00 C ATOM 672 CD1 PHE A 45 3.234 1.401 0.368 1.00 0.00 C ATOM 673 CD2 PHE A 45 4.026 -0.701 1.078 1.00 0.00 C ATOM 674 CE1 PHE A 45 1.896 0.949 0.521 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.689 -1.152 1.232 1.00 0.00 C ATOM 676 CZ PHE A 45 1.651 -0.318 0.950 1.00 0.00 C ATOM 0 H PHE A 45 4.810 1.632 -2.287 1.00 0.00 H new ATOM 0 HA PHE A 45 7.334 1.049 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.354 0.489 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.768 2.099 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.428 2.407 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.849 -1.364 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.073 1.612 0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.495 -2.158 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.634 -0.662 1.067 1.00 0.00 H new ATOM 686 N ALA A 46 6.762 -1.425 -1.111 1.00 0.00 N ATOM 687 CA ALA A 46 6.570 -2.799 -1.545 1.00 0.00 C ATOM 688 C ALA A 46 6.667 -3.729 -0.335 1.00 0.00 C ATOM 689 O ALA A 46 7.555 -3.574 0.503 1.00 0.00 O ATOM 690 CB ALA A 46 7.596 -3.141 -2.627 1.00 0.00 C ATOM 0 H ALA A 46 7.580 -1.275 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 46 5.580 -2.929 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.452 -4.171 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.466 -2.471 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.602 -3.025 -2.224 1.00 0.00 H new ATOM 696 N GLY A 47 5.742 -4.676 -0.280 1.00 0.00 N ATOM 697 CA GLY A 47 5.714 -5.633 0.813 1.00 0.00 C ATOM 698 C GLY A 47 4.647 -6.704 0.576 1.00 0.00 C ATOM 699 O GLY A 47 4.290 -6.988 -0.566 1.00 0.00 O ATOM 0 H GLY A 47 5.006 -4.801 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.692 -6.104 0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.512 -5.114 1.750 1.00 0.00 H new ATOM 703 N GLU A 48 4.169 -7.271 1.674 1.00 0.00 N ATOM 704 CA GLU A 48 3.151 -8.305 1.601 1.00 0.00 C ATOM 705 C GLU A 48 1.774 -7.718 1.915 1.00 0.00 C ATOM 706 O GLU A 48 1.563 -7.162 2.992 1.00 0.00 O ATOM 707 CB GLU A 48 3.480 -9.467 2.541 1.00 0.00 C ATOM 708 CG GLU A 48 4.415 -10.471 1.865 1.00 0.00 C ATOM 709 CD GLU A 48 3.618 -11.559 1.141 1.00 0.00 C ATOM 710 OE1 GLU A 48 2.412 -11.674 1.442 1.00 0.00 O ATOM 711 OE2 GLU A 48 4.236 -12.251 0.303 1.00 0.00 O ATOM 0 H GLU A 48 4.468 -7.034 2.620 1.00 0.00 H new ATOM 0 HA GLU A 48 3.133 -8.698 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.947 -9.084 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.560 -9.967 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.059 -9.953 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.066 -10.927 2.611 1.00 0.00 H new ATOM 718 N LEU A 49 0.872 -7.861 0.955 1.00 0.00 N ATOM 719 CA LEU A 49 -0.480 -7.352 1.117 1.00 0.00 C ATOM 720 C LEU A 49 -1.477 -8.500 0.948 1.00 0.00 C ATOM 721 O LEU A 49 -1.085 -9.666 0.907 1.00 0.00 O ATOM 722 CB LEU A 49 -0.727 -6.178 0.168 1.00 0.00 C ATOM 723 CG LEU A 49 -0.476 -4.783 0.746 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.891 -4.710 1.427 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.640 -3.706 -0.329 1.00 0.00 C ATOM 0 H LEU A 49 1.050 -8.322 0.063 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.619 -6.954 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.092 -6.306 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.760 -6.226 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.228 -4.590 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.044 -3.708 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.933 -5.437 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.672 -4.933 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.456 -2.725 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.073 -3.884 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.654 -3.741 -0.728 1.00 0.00 H new ATOM 737 N THR A 50 -2.746 -8.130 0.853 1.00 0.00 N ATOM 738 CA THR A 50 -3.801 -9.115 0.690 1.00 0.00 C ATOM 739 C THR A 50 -5.015 -8.486 0.002 1.00 0.00 C ATOM 740 O THR A 50 -4.974 -7.324 -0.396 1.00 0.00 O ATOM 741 CB THR A 50 -4.119 -9.701 2.066 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.171 -9.086 2.933 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.794 -11.194 2.158 1.00 0.00 C ATOM 0 H THR A 50 -3.067 -7.162 0.886 1.00 0.00 H new ATOM 0 HA THR A 50 -3.484 -9.930 0.040 1.00 0.00 H new ATOM 0 HB THR A 50 -5.174 -9.545 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.307 -9.409 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.039 -11.559 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.379 -11.740 1.418 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.732 -11.348 1.966 1.00 0.00 H new ATOM 751 N PRO A 51 -6.093 -9.305 -0.122 1.00 0.00 N ATOM 752 CA PRO A 51 -7.317 -8.841 -0.755 1.00 0.00 C ATOM 753 C PRO A 51 -8.091 -7.902 0.171 1.00 0.00 C ATOM 754 O PRO A 51 -8.824 -7.031 -0.294 1.00 0.00 O ATOM 755 CB PRO A 51 -8.087 -10.106 -1.097 1.00 0.00 C ATOM 756 CG PRO A 51 -7.490 -11.205 -0.231 1.00 0.00 C ATOM 757 CD PRO A 51 -6.178 -10.688 0.337 1.00 0.00 C ATOM 0 HA PRO A 51 -7.129 -8.250 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.151 -9.983 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.991 -10.347 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.175 -11.472 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.322 -12.107 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.168 -10.745 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.333 -11.276 -0.021 1.00 0.00 H new ATOM 765 N GLN A 52 -7.902 -8.110 1.467 1.00 0.00 N ATOM 766 CA GLN A 52 -8.574 -7.293 2.461 1.00 0.00 C ATOM 767 C GLN A 52 -7.994 -5.876 2.464 1.00 0.00 C ATOM 768 O GLN A 52 -8.708 -4.908 2.205 1.00 0.00 O ATOM 769 CB GLN A 52 -8.477 -7.928 3.850 1.00 0.00 C ATOM 770 CG GLN A 52 -9.813 -7.839 4.588 1.00 0.00 C ATOM 771 CD GLN A 52 -9.602 -7.806 6.103 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.231 -7.053 6.828 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.683 -8.663 6.540 1.00 0.00 N ATOM 0 H GLN A 52 -7.293 -8.833 1.850 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.630 -7.232 2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.178 -8.972 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.703 -7.426 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.348 -6.943 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.437 -8.693 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.193 -9.266 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.469 -8.717 7.536 1.00 0.00 H new ATOM 782 N SER A 53 -6.705 -5.800 2.761 1.00 0.00 N ATOM 783 CA SER A 53 -6.021 -4.519 2.801 1.00 0.00 C ATOM 784 C SER A 53 -6.303 -3.735 1.519 1.00 0.00 C ATOM 785 O SER A 53 -6.503 -2.521 1.560 1.00 0.00 O ATOM 786 CB SER A 53 -4.514 -4.705 2.990 1.00 0.00 C ATOM 787 OG SER A 53 -4.098 -4.384 4.314 1.00 0.00 O ATOM 0 H SER A 53 -6.116 -6.605 2.976 1.00 0.00 H new ATOM 0 HA SER A 53 -6.400 -3.956 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.245 -5.737 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.979 -4.075 2.279 1.00 0.00 H new ATOM 0 HG SER A 53 -3.426 -5.032 4.612 1.00 0.00 H new ATOM 793 N LEU A 54 -6.311 -4.459 0.410 1.00 0.00 N ATOM 794 CA LEU A 54 -6.565 -3.846 -0.883 1.00 0.00 C ATOM 795 C LEU A 54 -7.853 -3.023 -0.808 1.00 0.00 C ATOM 796 O LEU A 54 -7.811 -1.794 -0.830 1.00 0.00 O ATOM 797 CB LEU A 54 -6.576 -4.907 -1.986 1.00 0.00 C ATOM 798 CG LEU A 54 -5.278 -5.063 -2.780 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.557 -5.587 -4.190 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.489 -3.752 -2.802 1.00 0.00 C ATOM 0 H LEU A 54 -6.146 -5.465 0.380 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.761 -3.157 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.820 -5.869 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.379 -4.669 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.657 -5.805 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.617 -5.689 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.047 -6.559 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.206 -4.887 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.571 -3.890 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.092 -2.972 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.242 -3.459 -1.782 1.00 0.00 H new ATOM 812 N THR A 55 -8.967 -3.735 -0.720 1.00 0.00 N ATOM 813 CA THR A 55 -10.265 -3.085 -0.643 1.00 0.00 C ATOM 814 C THR A 55 -10.172 -1.806 0.193 1.00 0.00 C ATOM 815 O THR A 55 -10.905 -0.849 -0.048 1.00 0.00 O ATOM 816 CB THR A 55 -11.269 -4.099 -0.090 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.293 -5.134 -1.069 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.701 -3.562 -0.081 1.00 0.00 C ATOM 0 H THR A 55 -8.998 -4.754 -0.700 1.00 0.00 H new ATOM 0 HA THR A 55 -10.608 -2.769 -1.628 1.00 0.00 H new ATOM 0 HB THR A 55 -10.980 -4.378 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.918 -5.835 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.372 -4.321 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.751 -2.668 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.003 -3.313 -1.098 1.00 0.00 H new ATOM 826 N LYS A 56 -9.263 -1.832 1.157 1.00 0.00 N ATOM 827 CA LYS A 56 -9.065 -0.686 2.028 1.00 0.00 C ATOM 828 C LYS A 56 -8.704 0.537 1.182 1.00 0.00 C ATOM 829 O LYS A 56 -9.511 1.454 1.035 1.00 0.00 O ATOM 830 CB LYS A 56 -8.035 -1.010 3.112 1.00 0.00 C ATOM 831 CG LYS A 56 -8.312 -0.212 4.388 1.00 0.00 C ATOM 832 CD LYS A 56 -7.368 0.986 4.501 1.00 0.00 C ATOM 833 CE LYS A 56 -5.927 0.529 4.738 1.00 0.00 C ATOM 834 NZ LYS A 56 -4.973 1.569 4.294 1.00 0.00 N ATOM 0 H LYS A 56 -8.656 -2.628 1.354 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.987 -0.446 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.059 -2.077 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.034 -0.782 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.346 0.134 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.192 -0.857 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.419 1.581 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.688 1.630 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.776 0.317 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.740 -0.399 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.000 1.242 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.106 1.752 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.141 2.445 4.828 1.00 0.00 H new ATOM 848 N PHE A 57 -7.492 0.510 0.648 1.00 0.00 N ATOM 849 CA PHE A 57 -7.014 1.604 -0.180 1.00 0.00 C ATOM 850 C PHE A 57 -7.291 1.334 -1.660 1.00 0.00 C ATOM 851 O PHE A 57 -6.697 1.966 -2.532 1.00 0.00 O ATOM 852 CB PHE A 57 -5.503 1.701 0.035 1.00 0.00 C ATOM 853 CG PHE A 57 -4.778 0.356 -0.027 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.342 -0.127 -1.221 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.569 -0.357 1.113 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.669 -1.376 -1.278 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.896 -1.606 1.056 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.461 -2.089 -0.139 1.00 0.00 C ATOM 0 H PHE A 57 -6.826 -0.253 0.773 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.524 2.528 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.081 2.365 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.313 2.160 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.508 0.439 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.915 0.027 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.322 -1.760 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.730 -2.172 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.950 -3.039 -0.183 1.00 0.00 H new ATOM 868 N GLN A 58 -8.193 0.393 -1.898 1.00 0.00 N ATOM 869 CA GLN A 58 -8.554 0.031 -3.257 1.00 0.00 C ATOM 870 C GLN A 58 -9.727 0.887 -3.741 1.00 0.00 C ATOM 871 O GLN A 58 -9.706 1.401 -4.857 1.00 0.00 O ATOM 872 CB GLN A 58 -8.885 -1.460 -3.358 1.00 0.00 C ATOM 873 CG GLN A 58 -7.695 -2.250 -3.904 1.00 0.00 C ATOM 874 CD GLN A 58 -8.156 -3.330 -4.885 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.204 -3.936 -4.732 1.00 0.00 O ATOM 876 NE2 GLN A 58 -7.318 -3.536 -5.896 1.00 0.00 N ATOM 0 H GLN A 58 -8.684 -0.129 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.698 0.224 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.160 -1.843 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.749 -1.601 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.003 -1.572 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.151 -2.711 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.457 -2.993 -5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.536 -4.237 -6.604 1.00 0.00 H new ATOM 885 N GLY A 59 -10.723 1.012 -2.875 1.00 0.00 N ATOM 886 CA GLY A 59 -11.902 1.797 -3.200 1.00 0.00 C ATOM 887 C GLY A 59 -11.631 3.292 -3.022 1.00 0.00 C ATOM 888 O GLY A 59 -12.144 4.114 -3.781 1.00 0.00 O ATOM 0 H GLY A 59 -10.737 0.583 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.203 1.598 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.732 1.495 -2.561 1.00 0.00 H new ATOM 892 N LEU A 60 -10.826 3.600 -2.016 1.00 0.00 N ATOM 893 CA LEU A 60 -10.481 4.982 -1.731 1.00 0.00 C ATOM 894 C LEU A 60 -9.368 5.432 -2.679 1.00 0.00 C ATOM 895 O LEU A 60 -9.166 6.628 -2.881 1.00 0.00 O ATOM 896 CB LEU A 60 -10.133 5.152 -0.250 1.00 0.00 C ATOM 897 CG LEU A 60 -9.305 6.388 0.107 1.00 0.00 C ATOM 898 CD1 LEU A 60 -10.208 7.588 0.397 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.352 6.092 1.266 1.00 0.00 C ATOM 0 H LEU A 60 -10.403 2.916 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.336 5.633 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.062 5.184 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.588 4.267 0.079 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.691 6.650 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.594 8.453 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.809 7.813 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.866 7.355 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.775 6.987 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.927 5.791 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.674 5.287 0.983 1.00 0.00 H new ATOM 911 N GLN A 61 -8.675 4.450 -3.235 1.00 0.00 N ATOM 912 CA GLN A 61 -7.588 4.731 -4.158 1.00 0.00 C ATOM 913 C GLN A 61 -7.952 5.906 -5.066 1.00 0.00 C ATOM 914 O GLN A 61 -9.120 6.096 -5.403 1.00 0.00 O ATOM 915 CB GLN A 61 -7.234 3.489 -4.981 1.00 0.00 C ATOM 916 CG GLN A 61 -6.743 3.879 -6.376 1.00 0.00 C ATOM 917 CD GLN A 61 -6.023 2.711 -7.050 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.994 1.596 -6.555 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.444 3.026 -8.206 1.00 0.00 N ATOM 0 H GLN A 61 -8.845 3.459 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.707 5.006 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.463 2.915 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.108 2.843 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.588 4.192 -6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.069 4.733 -6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.506 3.979 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.938 2.315 -8.734 1.00 0.00 H new ATOM 928 N GLY A 62 -6.931 6.664 -5.438 1.00 0.00 N ATOM 929 CA GLY A 62 -7.129 7.816 -6.301 1.00 0.00 C ATOM 930 C GLY A 62 -6.981 9.121 -5.516 1.00 0.00 C ATOM 931 O GLY A 62 -6.714 10.172 -6.097 1.00 0.00 O ATOM 0 H GLY A 62 -5.964 6.503 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.405 7.793 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.120 7.770 -6.753 1.00 0.00 H new ATOM 935 N ASP A 63 -7.160 9.011 -4.208 1.00 0.00 N ATOM 936 CA ASP A 63 -7.050 10.170 -3.338 1.00 0.00 C ATOM 937 C ASP A 63 -5.770 10.058 -2.508 1.00 0.00 C ATOM 938 O ASP A 63 -5.197 11.070 -2.107 1.00 0.00 O ATOM 939 CB ASP A 63 -8.235 10.248 -2.372 1.00 0.00 C ATOM 940 CG ASP A 63 -8.548 11.650 -1.846 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.509 12.588 -2.671 1.00 0.00 O ATOM 942 OD2 ASP A 63 -8.820 11.752 -0.630 1.00 0.00 O ATOM 0 H ASP A 63 -7.380 8.138 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.036 11.062 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.120 9.859 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.036 9.594 -1.523 1.00 0.00 H new ATOM 947 N LEU A 64 -5.359 8.820 -2.277 1.00 0.00 N ATOM 948 CA LEU A 64 -4.157 8.564 -1.501 1.00 0.00 C ATOM 949 C LEU A 64 -3.332 7.476 -2.193 1.00 0.00 C ATOM 950 O LEU A 64 -2.318 7.028 -1.660 1.00 0.00 O ATOM 951 CB LEU A 64 -4.514 8.236 -0.050 1.00 0.00 C ATOM 952 CG LEU A 64 -5.090 6.840 0.199 1.00 0.00 C ATOM 953 CD1 LEU A 64 -5.950 6.383 -0.981 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.980 5.838 0.521 1.00 0.00 C ATOM 0 H LEU A 64 -5.836 7.984 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.535 9.458 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.618 8.352 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.236 8.973 0.302 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.741 6.890 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.347 5.388 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.775 7.081 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.341 6.353 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.417 4.854 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.284 5.784 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.447 6.160 1.416 1.00 0.00 H new ATOM 966 N ILE A 65 -3.797 7.084 -3.370 1.00 0.00 N ATOM 967 CA ILE A 65 -3.116 6.057 -4.139 1.00 0.00 C ATOM 968 C ILE A 65 -3.030 6.496 -5.603 1.00 0.00 C ATOM 969 O ILE A 65 -4.053 6.687 -6.258 1.00 0.00 O ATOM 970 CB ILE A 65 -3.794 4.701 -3.942 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.720 4.258 -2.480 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.206 3.651 -4.889 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.689 3.142 -2.296 1.00 0.00 C ATOM 0 H ILE A 65 -4.637 7.459 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.094 5.929 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.849 4.807 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.456 5.109 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.700 3.911 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.706 2.696 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.354 3.969 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.140 3.540 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.657 2.846 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.969 2.284 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.706 3.500 -2.602 1.00 0.00 H new ATOM 985 N ASP A 66 -1.799 6.642 -6.072 1.00 0.00 N ATOM 986 CA ASP A 66 -1.567 7.055 -7.446 1.00 0.00 C ATOM 987 C ASP A 66 -1.692 5.839 -8.367 1.00 0.00 C ATOM 988 O ASP A 66 -2.358 5.904 -9.399 1.00 0.00 O ATOM 989 CB ASP A 66 -0.161 7.635 -7.617 1.00 0.00 C ATOM 990 CG ASP A 66 -0.096 8.958 -8.382 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.089 9.714 -8.294 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.942 9.183 -9.039 1.00 0.00 O ATOM 0 H ASP A 66 -0.953 6.482 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.305 7.817 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.278 7.781 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.457 6.902 -8.135 1.00 0.00 H new ATOM 997 N SER A 67 -1.041 4.759 -7.960 1.00 0.00 N ATOM 998 CA SER A 67 -1.072 3.531 -8.735 1.00 0.00 C ATOM 999 C SER A 67 -1.069 2.320 -7.799 1.00 0.00 C ATOM 1000 O SER A 67 -0.596 2.408 -6.668 1.00 0.00 O ATOM 1001 CB SER A 67 0.115 3.459 -9.699 1.00 0.00 C ATOM 1002 OG SER A 67 -0.042 4.343 -10.805 1.00 0.00 O ATOM 0 H SER A 67 -0.489 4.709 -7.104 1.00 0.00 H new ATOM 0 HA SER A 67 -1.988 3.523 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.032 3.707 -9.164 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.225 2.438 -10.064 1.00 0.00 H new ATOM 0 HG SER A 67 -0.848 4.886 -10.678 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.604 1.219 -8.307 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.669 -0.007 -7.530 1.00 0.00 C ATOM 1010 C ILE A 68 -1.230 -1.183 -8.404 1.00 0.00 C ATOM 1011 O ILE A 68 -1.884 -1.503 -9.396 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.061 -0.180 -6.918 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.975 -0.812 -5.527 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.975 -0.976 -7.853 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.769 0.004 -4.505 1.00 0.00 C ATOM 0 H ILE A 68 -1.996 1.151 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.979 0.038 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.505 0.808 -6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.360 -1.831 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.932 -0.876 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.958 -1.085 -7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.073 -0.448 -8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.545 -1.962 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.692 -0.466 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.366 1.016 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.816 0.045 -4.806 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.126 -1.796 -8.004 1.00 0.00 N ATOM 1028 CA GLU A 69 0.409 -2.931 -8.739 1.00 0.00 C ATOM 1029 C GLU A 69 0.308 -4.204 -7.896 1.00 0.00 C ATOM 1030 O GLU A 69 1.315 -4.699 -7.392 1.00 0.00 O ATOM 1031 CB GLU A 69 1.852 -2.672 -9.173 1.00 0.00 C ATOM 1032 CG GLU A 69 2.168 -3.391 -10.486 1.00 0.00 C ATOM 1033 CD GLU A 69 3.651 -3.263 -10.839 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.185 -2.150 -10.647 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.217 -4.281 -11.293 1.00 0.00 O ATOM 0 H GLU A 69 0.413 -1.529 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.187 -3.069 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.012 -1.601 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.536 -3.011 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.900 -4.444 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.562 -2.972 -11.289 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.914 -4.696 -7.770 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.159 -5.903 -6.997 1.00 0.00 C ATOM 1044 C GLU A 70 -0.524 -7.113 -7.686 1.00 0.00 C ATOM 1045 O GLU A 70 -0.691 -7.305 -8.889 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.657 -6.119 -6.778 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.338 -4.825 -6.329 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.674 -4.630 -7.051 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -5.255 -5.660 -7.457 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -5.083 -3.456 -7.180 1.00 0.00 O ATOM 0 H GLU A 70 -1.746 -4.282 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.696 -5.784 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.116 -6.474 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.810 -6.894 -6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.503 -4.851 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.684 -3.977 -6.531 1.00 0.00 H new ATOM 1057 N ASP A 71 0.192 -7.897 -6.892 1.00 0.00 N ATOM 1058 CA ASP A 71 0.851 -9.083 -7.411 1.00 0.00 C ATOM 1059 C ASP A 71 0.615 -10.253 -6.454 1.00 0.00 C ATOM 1060 O ASP A 71 1.439 -11.162 -6.363 1.00 0.00 O ATOM 1061 CB ASP A 71 2.361 -8.865 -7.529 1.00 0.00 C ATOM 1062 CG ASP A 71 3.040 -9.641 -8.659 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.294 -10.233 -9.469 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.289 -9.626 -8.688 1.00 0.00 O ATOM 0 H ASP A 71 0.330 -7.734 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 71 0.438 -9.294 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.549 -7.801 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.828 -9.145 -6.585 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.513 -10.191 -5.762 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.868 -11.234 -4.815 1.00 0.00 C ATOM 1071 C GLY A 72 -1.376 -12.483 -5.539 1.00 0.00 C ATOM 1072 O GLY A 72 -2.079 -12.380 -6.542 1.00 0.00 O ATOM 0 H GLY A 72 -1.193 -9.435 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.000 -11.489 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.636 -10.866 -4.135 1.00 0.00 H new ATOM 1076 N ILE A 73 -1.001 -13.634 -5.001 1.00 0.00 N ATOM 1077 CA ILE A 73 -1.409 -14.900 -5.583 1.00 0.00 C ATOM 1078 C ILE A 73 -1.590 -15.934 -4.469 1.00 0.00 C ATOM 1079 O ILE A 73 -1.010 -15.799 -3.392 1.00 0.00 O ATOM 1080 CB ILE A 73 -0.423 -15.335 -6.669 1.00 0.00 C ATOM 1081 CG1 ILE A 73 -0.733 -14.644 -7.999 1.00 0.00 C ATOM 1082 CG2 ILE A 73 -0.393 -16.858 -6.808 1.00 0.00 C ATOM 1083 CD1 ILE A 73 0.427 -13.748 -8.436 1.00 0.00 C ATOM 0 H ILE A 73 -0.419 -13.716 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.372 -14.795 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 73 0.576 -15.021 -6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.926 -15.394 -8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.640 -14.048 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.316 -17.138 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.087 -17.304 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.386 -17.219 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.180 -13.269 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.602 -12.984 -7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.327 -14.351 -8.558 1.00 0.00 H new ATOM 1095 N VAL A 74 -2.397 -16.941 -4.765 1.00 0.00 N ATOM 1096 CA VAL A 74 -2.662 -17.997 -3.802 1.00 0.00 C ATOM 1097 C VAL A 74 -2.126 -19.323 -4.346 1.00 0.00 C ATOM 1098 O VAL A 74 -2.899 -20.209 -4.706 1.00 0.00 O ATOM 1099 CB VAL A 74 -4.156 -18.045 -3.476 1.00 0.00 C ATOM 1100 CG1 VAL A 74 -4.479 -19.225 -2.557 1.00 0.00 C ATOM 1101 CG2 VAL A 74 -4.625 -16.726 -2.860 1.00 0.00 C ATOM 0 H VAL A 74 -2.877 -17.049 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.145 -17.797 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.698 -18.190 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.547 -19.236 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.199 -20.157 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.921 -19.124 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.690 -16.787 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.072 -16.538 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.447 -15.912 -3.563 1.00 0.00 H new ATOM 1111 N THR A 75 -0.804 -19.419 -4.387 1.00 0.00 N ATOM 1112 CA THR A 75 -0.156 -20.621 -4.880 1.00 0.00 C ATOM 1113 C THR A 75 1.363 -20.500 -4.750 1.00 0.00 C ATOM 1114 O THR A 75 1.924 -19.425 -4.962 1.00 0.00 O ATOM 1115 CB THR A 75 -0.626 -20.856 -6.317 1.00 0.00 C ATOM 1116 OG1 THR A 75 -0.611 -22.275 -6.460 1.00 0.00 O ATOM 1117 CG2 THR A 75 0.388 -20.368 -7.353 1.00 0.00 C ATOM 0 H THR A 75 -0.165 -18.683 -4.086 1.00 0.00 H new ATOM 0 HA THR A 75 -0.433 -21.492 -4.285 1.00 0.00 H new ATOM 0 HB THR A 75 -1.578 -20.349 -6.474 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.904 -22.516 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.005 -20.559 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.553 -19.298 -7.225 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.330 -20.899 -7.218 1.00 0.00 H new ATOM 1125 N THR A 76 1.987 -21.615 -4.401 1.00 0.00 N ATOM 1126 CA THR A 76 3.431 -21.647 -4.241 1.00 0.00 C ATOM 1127 C THR A 76 4.120 -21.137 -5.508 1.00 0.00 C ATOM 1128 O THR A 76 3.665 -21.406 -6.618 1.00 0.00 O ATOM 1129 CB THR A 76 3.833 -23.075 -3.863 1.00 0.00 C ATOM 1130 OG1 THR A 76 3.519 -23.168 -2.477 1.00 0.00 O ATOM 1131 CG2 THR A 76 5.347 -23.290 -3.918 1.00 0.00 C ATOM 0 H THR A 76 1.519 -22.504 -4.224 1.00 0.00 H new ATOM 0 HA THR A 76 3.755 -20.980 -3.442 1.00 0.00 H new ATOM 0 HB THR A 76 3.342 -23.781 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.746 -24.063 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.579 -24.319 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.705 -23.097 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.837 -22.608 -3.223 1.00 0.00 H new ATOM 1139 N GLN A 77 5.207 -20.409 -5.299 1.00 0.00 N ATOM 1140 CA GLN A 77 5.963 -19.857 -6.410 1.00 0.00 C ATOM 1141 C GLN A 77 7.274 -20.625 -6.593 1.00 0.00 C ATOM 1142 O GLN A 77 7.983 -20.424 -7.578 1.00 0.00 O ATOM 1143 CB GLN A 77 6.228 -18.364 -6.207 1.00 0.00 C ATOM 1144 CG GLN A 77 7.196 -18.132 -5.045 1.00 0.00 C ATOM 1145 CD GLN A 77 6.567 -17.231 -3.979 1.00 0.00 C ATOM 1146 OE1 GLN A 77 5.621 -16.502 -4.226 1.00 0.00 O ATOM 1147 NE2 GLN A 77 7.146 -17.322 -2.785 1.00 0.00 N ATOM 0 H GLN A 77 5.582 -20.189 -4.376 1.00 0.00 H new ATOM 0 HA GLN A 77 5.369 -19.967 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.642 -17.937 -7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.288 -17.848 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.473 -19.088 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.113 -17.676 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.935 -17.954 -2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.801 -16.760 -2.007 1.00 0.00 H new TER 1156 GLN A 77