USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= 0.0639 K(o=0.069,f=-3.6!) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0.00561 USER MOD Set 2.1: A 62 ASN : amide:sc= -1.12 K(o=-2.7,f=-2!) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.696 K(o=-2.7,f=-0.89) USER MOD Set 2.3: A 65 ASN : amide:sc= -2.23 K(o=-2.7,f=-0.89) USER MOD Set 3.1: A 1 MET CE :methyl 176:sc= -1.85 (180deg=-1.77) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.18 K(o=1.2,f=-1.2) USER MOD Single : A 7 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.3!) USER MOD Single : A 9 ASN : amide:sc= -9.01! C(o=-9!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.082) USER MOD Single : A 18 GLN : amide:sc= 0.786 K(o=0.79,f=-0.36) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.728 K(o=-0.73,f=-4.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -151:sc= 1.71 USER MOD Single : A 40 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0239 (180deg=-0.305) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc=-0.00837 (180deg=-0.104) USER MOD Single : A 76 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= 1.27 (180deg=0.395) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD Single : A 91 ASN : amide:sc= -3.22! K(o=-3.2!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.372 4.439 6.810 1.00 1.70 N ATOM 2 CA MET A 1 12.549 3.233 7.649 1.00 1.61 C ATOM 3 C MET A 1 12.325 1.963 6.825 1.00 0.88 C ATOM 4 O MET A 1 13.206 1.552 6.076 1.00 1.16 O ATOM 5 CB MET A 1 11.584 3.268 8.843 1.00 2.50 C ATOM 6 CG MET A 1 11.676 2.046 9.752 1.00 2.77 C ATOM 7 SD MET A 1 10.193 1.823 10.754 1.00 2.91 S ATOM 8 CE MET A 1 10.005 0.041 10.701 1.00 2.61 C ATOM 0 H1 MET A 1 12.528 5.290 7.388 1.00 1.70 H new ATOM 0 H2 MET A 1 13.057 4.421 6.028 1.00 1.70 H new ATOM 0 H3 MET A 1 11.406 4.455 6.424 1.00 1.70 H new ATOM 0 HA MET A 1 13.572 3.224 8.024 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.784 4.163 9.433 1.00 2.50 H new ATOM 0 HB3 MET A 1 10.564 3.354 8.470 1.00 2.50 H new ATOM 0 HG2 MET A 1 11.838 1.156 9.144 1.00 2.77 H new ATOM 0 HG3 MET A 1 12.542 2.147 10.406 1.00 2.77 H new ATOM 0 HE1 MET A 1 9.170 -0.256 11.335 1.00 2.61 H new ATOM 0 HE2 MET A 1 9.812 -0.274 9.676 1.00 2.61 H new ATOM 0 HE3 MET A 1 10.919 -0.432 11.060 1.00 2.61 H new ATOM 20 N THR A 2 11.137 1.369 6.959 1.00 0.65 N ATOM 21 CA THR A 2 10.787 0.119 6.284 1.00 1.13 C ATOM 22 C THR A 2 9.293 -0.135 6.407 1.00 1.10 C ATOM 23 O THR A 2 8.519 0.278 5.560 1.00 1.86 O ATOM 24 CB THR A 2 11.538 -1.088 6.866 1.00 1.75 C ATOM 25 OG1 THR A 2 11.839 -0.861 8.250 1.00 2.36 O ATOM 26 CG2 THR A 2 12.805 -1.363 6.079 1.00 2.63 C ATOM 0 H THR A 2 10.388 1.744 7.541 1.00 0.65 H new ATOM 0 HA THR A 2 11.076 0.231 5.239 1.00 1.13 H new ATOM 0 HB THR A 2 10.897 -1.966 6.789 1.00 1.75 H new ATOM 0 HG1 THR A 2 12.316 -1.636 8.612 1.00 2.36 H new ATOM 0 HG21 THR A 2 13.321 -2.222 6.509 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.550 -1.575 5.041 1.00 2.63 H new ATOM 0 HG23 THR A 2 13.456 -0.490 6.121 1.00 2.63 H new ATOM 34 N CYS A 3 8.883 -0.792 7.483 1.00 0.81 N ATOM 35 CA CYS A 3 7.470 -0.875 7.819 1.00 0.69 C ATOM 36 C CYS A 3 6.944 0.539 8.038 1.00 0.65 C ATOM 37 O CYS A 3 5.779 0.842 7.784 1.00 0.79 O ATOM 38 CB CYS A 3 7.259 -1.740 9.066 1.00 0.76 C ATOM 39 SG CYS A 3 5.524 -1.902 9.591 1.00 0.70 S ATOM 0 H CYS A 3 9.505 -1.272 8.134 1.00 0.81 H new ATOM 0 HA CYS A 3 6.922 -1.346 7.003 1.00 0.69 H new ATOM 0 HB2 CYS A 3 7.661 -2.735 8.874 1.00 0.76 H new ATOM 0 HB3 CYS A 3 7.836 -1.316 9.888 1.00 0.76 H new ATOM 44 N GLY A 4 7.845 1.410 8.471 1.00 0.57 N ATOM 45 CA GLY A 4 7.519 2.815 8.607 1.00 0.56 C ATOM 46 C GLY A 4 7.393 3.489 7.257 1.00 0.51 C ATOM 47 O GLY A 4 6.622 4.434 7.092 1.00 0.53 O ATOM 0 H GLY A 4 8.801 1.167 8.732 1.00 0.57 H new ATOM 0 HA2 GLY A 4 6.584 2.921 9.156 1.00 0.56 H new ATOM 0 HA3 GLY A 4 8.291 3.314 9.193 1.00 0.56 H new ATOM 51 N GLN A 5 8.135 2.981 6.275 1.00 0.52 N ATOM 52 CA GLN A 5 8.089 3.531 4.929 1.00 0.51 C ATOM 53 C GLN A 5 6.818 3.041 4.243 1.00 0.46 C ATOM 54 O GLN A 5 6.213 3.753 3.444 1.00 0.52 O ATOM 55 CB GLN A 5 9.361 3.152 4.136 1.00 0.60 C ATOM 56 CG GLN A 5 9.267 1.881 3.309 1.00 0.62 C ATOM 57 CD GLN A 5 10.589 1.529 2.658 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.654 1.857 3.183 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.538 0.846 1.528 1.00 0.96 N ATOM 0 H GLN A 5 8.772 2.192 6.389 1.00 0.52 H new ATOM 0 HA GLN A 5 8.065 4.620 4.972 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.612 3.978 3.471 1.00 0.60 H new ATOM 0 HB3 GLN A 5 10.187 3.046 4.839 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.946 1.057 3.946 1.00 0.62 H new ATOM 0 HG3 GLN A 5 8.505 2.005 2.539 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.636 0.593 1.125 1.00 0.96 H new ATOM 0 HE22 GLN A 5 11.401 0.571 1.059 1.00 0.96 H new ATOM 68 N VAL A 6 6.403 1.824 4.599 1.00 0.43 N ATOM 69 CA VAL A 6 5.127 1.273 4.152 1.00 0.44 C ATOM 70 C VAL A 6 3.991 2.127 4.686 1.00 0.44 C ATOM 71 O VAL A 6 3.032 2.431 3.976 1.00 0.49 O ATOM 72 CB VAL A 6 4.906 -0.165 4.676 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.673 -0.796 4.058 1.00 1.02 C ATOM 74 CG2 VAL A 6 6.117 -1.040 4.443 1.00 1.12 C ATOM 0 H VAL A 6 6.939 1.198 5.201 1.00 0.43 H new ATOM 0 HA VAL A 6 5.146 1.262 3.062 1.00 0.44 H new ATOM 0 HB VAL A 6 4.750 -0.088 5.752 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.547 -1.806 4.448 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.795 -0.199 4.306 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.789 -0.837 2.975 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.921 -2.042 4.825 1.00 1.12 H new ATOM 0 HG22 VAL A 6 6.327 -1.094 3.375 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.977 -0.616 4.961 1.00 1.12 H new ATOM 84 N GLN A 7 4.106 2.495 5.956 1.00 0.47 N ATOM 85 CA GLN A 7 3.121 3.335 6.606 1.00 0.54 C ATOM 86 C GLN A 7 2.971 4.645 5.843 1.00 0.58 C ATOM 87 O GLN A 7 1.864 5.118 5.632 1.00 0.70 O ATOM 88 CB GLN A 7 3.530 3.605 8.057 1.00 0.66 C ATOM 89 CG GLN A 7 2.459 4.307 8.875 1.00 0.98 C ATOM 90 CD GLN A 7 1.230 3.441 9.109 1.00 1.27 C ATOM 91 OE1 GLN A 7 0.112 3.946 9.210 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.431 2.139 9.229 1.00 1.69 N ATOM 0 H GLN A 7 4.882 2.219 6.557 1.00 0.47 H new ATOM 0 HA GLN A 7 2.161 2.819 6.608 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.778 2.658 8.537 1.00 0.66 H new ATOM 0 HB3 GLN A 7 4.435 4.212 8.063 1.00 0.66 H new ATOM 0 HG2 GLN A 7 2.878 4.601 9.837 1.00 0.98 H new ATOM 0 HG3 GLN A 7 2.160 5.222 8.364 1.00 0.98 H new ATOM 0 HE21 GLN A 7 2.373 1.758 9.139 1.00 1.69 H new ATOM 0 HE22 GLN A 7 0.644 1.516 9.412 1.00 1.69 H new ATOM 101 N GLY A 8 4.093 5.198 5.387 1.00 0.60 N ATOM 102 CA GLY A 8 4.063 6.445 4.637 1.00 0.70 C ATOM 103 C GLY A 8 3.310 6.333 3.317 1.00 0.66 C ATOM 104 O GLY A 8 3.005 7.343 2.681 1.00 0.82 O ATOM 0 H GLY A 8 5.024 4.805 5.523 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.598 7.218 5.249 1.00 0.70 H new ATOM 0 HA3 GLY A 8 5.085 6.767 4.439 1.00 0.70 H new ATOM 108 N ASN A 9 3.024 5.105 2.905 1.00 0.58 N ATOM 109 CA ASN A 9 2.181 4.853 1.744 1.00 0.63 C ATOM 110 C ASN A 9 0.711 4.957 2.157 1.00 0.62 C ATOM 111 O ASN A 9 0.004 5.889 1.768 1.00 0.78 O ATOM 112 CB ASN A 9 2.488 3.453 1.170 1.00 0.75 C ATOM 113 CG ASN A 9 1.635 3.067 -0.033 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.488 3.468 -0.165 1.00 1.86 O ATOM 115 ND2 ASN A 9 2.201 2.265 -0.920 1.00 1.86 N ATOM 0 H ASN A 9 3.367 4.261 3.363 1.00 0.58 H new ATOM 0 HA ASN A 9 2.385 5.594 0.971 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.539 3.413 0.883 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.344 2.711 1.956 1.00 0.75 H new ATOM 0 HD21 ASN A 9 1.678 1.964 -1.742 1.00 1.86 H new ATOM 0 HD22 ASN A 9 3.160 1.948 -0.781 1.00 1.86 H new ATOM 122 N LEU A 10 0.282 4.035 3.008 1.00 0.56 N ATOM 123 CA LEU A 10 -1.136 3.871 3.302 1.00 0.66 C ATOM 124 C LEU A 10 -1.659 4.877 4.321 1.00 0.65 C ATOM 125 O LEU A 10 -2.838 5.221 4.292 1.00 0.72 O ATOM 126 CB LEU A 10 -1.412 2.450 3.782 1.00 0.89 C ATOM 127 CG LEU A 10 -1.089 1.363 2.757 1.00 1.00 C ATOM 128 CD1 LEU A 10 -1.559 0.006 3.249 1.00 1.45 C ATOM 129 CD2 LEU A 10 -1.724 1.694 1.418 1.00 1.73 C ATOM 0 H LEU A 10 0.894 3.390 3.507 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.671 4.061 2.371 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.830 2.265 4.685 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.463 2.371 4.058 1.00 0.89 H new ATOM 0 HG LEU A 10 -0.008 1.322 2.627 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -1.320 -0.754 2.505 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -1.058 -0.234 4.187 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.637 0.030 3.409 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -1.485 0.911 0.698 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -2.806 1.762 1.535 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -1.338 2.648 1.058 1.00 1.73 H new ATOM 141 N ALA A 11 -0.798 5.365 5.211 1.00 0.62 N ATOM 142 CA ALA A 11 -1.226 6.309 6.245 1.00 0.69 C ATOM 143 C ALA A 11 -1.741 7.593 5.616 1.00 0.63 C ATOM 144 O ALA A 11 -2.577 8.289 6.186 1.00 0.72 O ATOM 145 CB ALA A 11 -0.083 6.625 7.201 1.00 0.77 C ATOM 0 H ALA A 11 0.193 5.126 5.239 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.033 5.842 6.810 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.427 7.328 7.959 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.253 5.707 7.683 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.744 7.066 6.646 1.00 0.77 H new ATOM 151 N GLN A 12 -1.255 7.880 4.421 1.00 0.56 N ATOM 152 CA GLN A 12 -1.619 9.095 3.716 1.00 0.53 C ATOM 153 C GLN A 12 -2.957 8.935 3.006 1.00 0.52 C ATOM 154 O GLN A 12 -3.666 9.913 2.773 1.00 0.60 O ATOM 155 CB GLN A 12 -0.523 9.447 2.718 1.00 0.56 C ATOM 156 CG GLN A 12 0.834 9.661 3.371 1.00 0.52 C ATOM 157 CD GLN A 12 0.874 10.907 4.236 1.00 1.30 C ATOM 158 OE1 GLN A 12 0.533 10.874 5.418 1.00 2.18 O ATOM 159 NE2 GLN A 12 1.319 12.009 3.660 1.00 1.88 N ATOM 0 H GLN A 12 -0.602 7.282 3.916 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.723 9.904 4.439 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.442 8.649 1.980 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -0.807 10.351 2.180 1.00 0.56 H new ATOM 0 HG2 GLN A 12 1.081 8.792 3.980 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.598 9.735 2.597 1.00 0.52 H new ATOM 0 HE21 GLN A 12 1.592 11.996 2.677 1.00 1.88 H new ATOM 0 HE22 GLN A 12 1.390 12.873 4.198 1.00 1.88 H new ATOM 168 N CYS A 13 -3.305 7.703 2.675 1.00 0.52 N ATOM 169 CA CYS A 13 -4.581 7.428 2.028 1.00 0.56 C ATOM 170 C CYS A 13 -5.609 6.922 3.010 1.00 0.53 C ATOM 171 O CYS A 13 -6.768 6.808 2.660 1.00 0.56 O ATOM 172 CB CYS A 13 -4.421 6.431 0.880 1.00 0.69 C ATOM 173 SG CYS A 13 -4.011 7.205 -0.707 1.00 1.23 S ATOM 0 H CYS A 13 -2.727 6.880 2.842 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.936 8.375 1.620 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.640 5.716 1.138 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.346 5.866 0.770 1.00 0.69 H new ATOM 178 N ILE A 14 -5.194 6.633 4.237 1.00 0.58 N ATOM 179 CA ILE A 14 -6.128 6.182 5.271 1.00 0.67 C ATOM 180 C ILE A 14 -7.287 7.170 5.420 1.00 0.67 C ATOM 181 O ILE A 14 -8.440 6.765 5.603 1.00 0.77 O ATOM 182 CB ILE A 14 -5.412 5.995 6.633 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.875 4.565 6.750 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.336 6.339 7.798 1.00 1.04 C ATOM 185 CD1 ILE A 14 -4.090 4.305 8.020 1.00 1.11 C ATOM 0 H ILE A 14 -4.223 6.701 4.543 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.525 5.216 4.958 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.570 6.685 6.679 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.712 3.868 6.703 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -4.237 4.356 5.891 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -5.804 6.197 8.739 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -6.655 7.378 7.715 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.210 5.688 7.774 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.744 3.271 8.029 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.232 4.976 8.061 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.729 4.481 8.885 1.00 1.11 H new ATOM 197 N GLY A 15 -6.985 8.463 5.294 1.00 0.66 N ATOM 198 CA GLY A 15 -8.014 9.485 5.374 1.00 0.76 C ATOM 199 C GLY A 15 -8.837 9.593 4.111 1.00 0.86 C ATOM 200 O GLY A 15 -9.329 10.661 3.744 1.00 1.45 O ATOM 0 H GLY A 15 -6.042 8.819 5.137 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.673 9.264 6.213 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.547 10.448 5.580 1.00 0.76 H new ATOM 204 N PHE A 16 -8.968 8.464 3.465 1.00 0.61 N ATOM 205 CA PHE A 16 -9.792 8.281 2.296 1.00 0.60 C ATOM 206 C PHE A 16 -10.178 6.813 2.253 1.00 0.60 C ATOM 207 O PHE A 16 -11.322 6.449 2.021 1.00 0.69 O ATOM 208 CB PHE A 16 -8.965 8.681 1.088 1.00 0.59 C ATOM 209 CG PHE A 16 -9.300 7.957 -0.191 1.00 0.62 C ATOM 210 CD1 PHE A 16 -8.668 6.767 -0.510 1.00 0.71 C ATOM 211 CD2 PHE A 16 -10.252 8.457 -1.066 1.00 0.73 C ATOM 212 CE1 PHE A 16 -8.971 6.091 -1.674 1.00 0.85 C ATOM 213 CE2 PHE A 16 -10.559 7.784 -2.233 1.00 0.86 C ATOM 214 CZ PHE A 16 -9.914 6.643 -2.563 1.00 0.91 C ATOM 0 H PHE A 16 -8.485 7.612 3.749 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.698 8.887 2.310 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.088 9.751 0.923 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -7.913 8.512 1.317 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -7.927 6.362 0.163 1.00 0.71 H new ATOM 0 HD2 PHE A 16 -10.759 9.382 -0.833 1.00 0.73 H new ATOM 0 HE1 PHE A 16 -8.491 5.150 -1.901 1.00 0.85 H new ATOM 0 HE2 PHE A 16 -11.323 8.174 -2.889 1.00 0.86 H new ATOM 0 HZ PHE A 16 -10.121 6.156 -3.505 1.00 0.91 H new ATOM 224 N LEU A 17 -9.166 6.004 2.508 1.00 0.56 N ATOM 225 CA LEU A 17 -9.262 4.572 2.710 1.00 0.67 C ATOM 226 C LEU A 17 -10.479 4.229 3.569 1.00 0.79 C ATOM 227 O LEU A 17 -11.353 3.460 3.163 1.00 0.87 O ATOM 228 CB LEU A 17 -7.969 4.157 3.426 1.00 0.74 C ATOM 229 CG LEU A 17 -7.459 2.750 3.182 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.165 2.535 1.705 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.213 2.489 4.011 1.00 1.43 C ATOM 0 H LEU A 17 -8.208 6.346 2.583 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.382 4.046 1.763 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.184 4.855 3.136 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.123 4.278 4.498 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.234 2.046 3.485 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.800 1.520 1.551 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.077 2.685 1.127 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.407 3.247 1.378 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.858 1.475 3.825 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.436 3.202 3.734 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.449 2.603 5.069 1.00 1.43 H new ATOM 243 N GLN A 18 -10.521 4.824 4.754 1.00 0.87 N ATOM 244 CA GLN A 18 -11.602 4.627 5.687 1.00 1.07 C ATOM 245 C GLN A 18 -12.794 5.516 5.339 1.00 1.09 C ATOM 246 O GLN A 18 -13.847 5.030 4.938 1.00 1.20 O ATOM 247 CB GLN A 18 -11.065 4.984 7.059 1.00 1.25 C ATOM 248 CG GLN A 18 -11.768 4.337 8.224 1.00 1.08 C ATOM 249 CD GLN A 18 -13.173 4.857 8.469 1.00 1.33 C ATOM 250 OE1 GLN A 18 -13.361 5.839 9.180 1.00 1.73 O ATOM 251 NE2 GLN A 18 -14.167 4.185 7.913 1.00 2.00 N ATOM 0 H GLN A 18 -9.797 5.460 5.089 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.952 3.595 5.655 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -10.010 4.712 7.098 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -11.120 6.066 7.180 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -11.815 3.261 8.054 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -11.173 4.491 9.124 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -13.969 3.373 7.328 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -15.131 4.478 8.069 1.00 2.00 H new ATOM 260 N LYS A 19 -12.601 6.820 5.512 1.00 1.06 N ATOM 261 CA LYS A 19 -13.663 7.813 5.303 1.00 1.21 C ATOM 262 C LYS A 19 -14.271 7.728 3.901 1.00 1.34 C ATOM 263 O LYS A 19 -15.450 7.405 3.738 1.00 2.08 O ATOM 264 CB LYS A 19 -13.123 9.229 5.523 1.00 1.41 C ATOM 265 CG LYS A 19 -12.451 9.443 6.871 1.00 1.98 C ATOM 266 CD LYS A 19 -12.166 10.917 7.116 1.00 2.69 C ATOM 267 CE LYS A 19 -11.294 11.508 6.020 1.00 3.29 C ATOM 268 NZ LYS A 19 -11.106 12.973 6.184 1.00 4.09 N ATOM 0 H LYS A 19 -11.709 7.223 5.800 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.445 7.590 6.029 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -12.407 9.459 4.733 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -13.945 9.938 5.424 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -13.091 9.057 7.665 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -11.519 8.878 6.910 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -13.106 11.466 7.169 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -11.671 11.037 8.080 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -10.322 11.015 6.026 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -11.747 11.308 5.049 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -10.505 13.334 5.416 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -12.031 13.447 6.153 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -10.650 13.164 7.099 1.00 4.09 H new ATOM 282 N GLY A 20 -13.459 8.021 2.895 1.00 1.18 N ATOM 283 CA GLY A 20 -13.946 8.067 1.530 1.00 1.47 C ATOM 284 C GLY A 20 -14.000 9.486 1.000 1.00 1.29 C ATOM 285 O GLY A 20 -14.996 10.186 1.179 1.00 1.99 O ATOM 0 H GLY A 20 -12.466 8.229 3.000 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.298 7.465 0.892 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -14.941 7.623 1.484 1.00 1.47 H new ATOM 289 N GLY A 21 -12.923 9.917 0.353 1.00 1.10 N ATOM 290 CA GLY A 21 -12.853 11.277 -0.145 1.00 1.37 C ATOM 291 C GLY A 21 -11.965 11.405 -1.367 1.00 1.26 C ATOM 292 O GLY A 21 -12.405 11.161 -2.488 1.00 1.79 O ATOM 0 H GLY A 21 -12.097 9.348 0.165 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -13.857 11.622 -0.392 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -12.477 11.930 0.643 1.00 1.37 H new ATOM 296 N VAL A 22 -10.708 11.762 -1.149 1.00 1.14 N ATOM 297 CA VAL A 22 -9.777 11.989 -2.246 1.00 1.00 C ATOM 298 C VAL A 22 -8.383 11.484 -1.884 1.00 0.82 C ATOM 299 O VAL A 22 -7.996 11.487 -0.714 1.00 0.87 O ATOM 300 CB VAL A 22 -9.705 13.494 -2.614 1.00 1.11 C ATOM 301 CG1 VAL A 22 -9.233 14.319 -1.426 1.00 1.92 C ATOM 302 CG2 VAL A 22 -8.806 13.724 -3.821 1.00 1.28 C ATOM 0 H VAL A 22 -10.308 11.901 -0.221 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.145 11.435 -3.109 1.00 1.00 H new ATOM 0 HB VAL A 22 -10.711 13.820 -2.879 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.190 15.371 -1.708 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -9.929 14.193 -0.596 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -8.241 13.984 -1.122 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -8.776 14.788 -4.055 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -7.799 13.373 -3.597 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.199 13.176 -4.677 1.00 1.28 H new ATOM 312 N VAL A 23 -7.648 11.026 -2.888 1.00 0.71 N ATOM 313 CA VAL A 23 -6.266 10.613 -2.706 1.00 0.58 C ATOM 314 C VAL A 23 -5.330 11.796 -2.935 1.00 0.54 C ATOM 315 O VAL A 23 -5.310 12.383 -4.018 1.00 0.58 O ATOM 316 CB VAL A 23 -5.887 9.467 -3.665 1.00 0.58 C ATOM 317 CG1 VAL A 23 -4.402 9.140 -3.577 1.00 0.51 C ATOM 318 CG2 VAL A 23 -6.725 8.234 -3.367 1.00 0.69 C ATOM 0 H VAL A 23 -7.991 10.931 -3.844 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.162 10.253 -1.683 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.094 9.795 -4.684 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.167 8.328 -4.265 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -3.819 10.022 -3.843 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.156 8.836 -2.560 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -6.448 7.432 -4.051 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -6.548 7.913 -2.340 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -7.781 8.472 -3.496 1.00 0.69 H new ATOM 328 N PRO A 24 -4.557 12.171 -1.907 1.00 0.54 N ATOM 329 CA PRO A 24 -3.612 13.284 -1.991 1.00 0.58 C ATOM 330 C PRO A 24 -2.338 12.909 -2.748 1.00 0.55 C ATOM 331 O PRO A 24 -1.938 11.741 -2.767 1.00 0.47 O ATOM 332 CB PRO A 24 -3.291 13.573 -0.523 1.00 0.67 C ATOM 333 CG PRO A 24 -3.459 12.262 0.165 1.00 0.81 C ATOM 334 CD PRO A 24 -4.555 11.541 -0.574 1.00 0.59 C ATOM 0 HA PRO A 24 -4.025 14.134 -2.534 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.276 13.954 -0.407 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -3.963 14.326 -0.111 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -2.532 11.689 0.144 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -3.723 12.403 1.213 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -4.357 10.471 -0.638 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -5.517 11.658 -0.075 1.00 0.59 H new ATOM 342 N PRO A 25 -1.667 13.904 -3.361 1.00 0.65 N ATOM 343 CA PRO A 25 -0.388 13.698 -4.061 1.00 0.67 C ATOM 344 C PRO A 25 0.710 13.232 -3.108 1.00 0.66 C ATOM 345 O PRO A 25 1.796 12.830 -3.524 1.00 0.71 O ATOM 346 CB PRO A 25 -0.051 15.083 -4.629 1.00 0.81 C ATOM 347 CG PRO A 25 -1.334 15.842 -4.604 1.00 1.03 C ATOM 348 CD PRO A 25 -2.109 15.305 -3.436 1.00 0.81 C ATOM 0 HA PRO A 25 -0.462 12.925 -4.826 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.711 15.579 -4.028 1.00 0.81 H new ATOM 0 HB3 PRO A 25 0.341 15.007 -5.643 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.153 16.911 -4.494 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -1.886 15.706 -5.534 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -1.884 15.849 -2.518 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.184 15.381 -3.596 1.00 0.81 H new ATOM 356 N SER A 26 0.393 13.259 -1.825 1.00 0.68 N ATOM 357 CA SER A 26 1.317 12.857 -0.782 1.00 0.73 C ATOM 358 C SER A 26 1.284 11.353 -0.677 1.00 0.65 C ATOM 359 O SER A 26 2.319 10.686 -0.674 1.00 0.68 O ATOM 360 CB SER A 26 0.902 13.480 0.548 1.00 0.83 C ATOM 361 OG SER A 26 0.627 14.860 0.393 1.00 0.91 O ATOM 0 H SER A 26 -0.517 13.562 -1.477 1.00 0.68 H new ATOM 0 HA SER A 26 2.325 13.195 -1.022 1.00 0.73 H new ATOM 0 HB2 SER A 26 0.019 12.970 0.934 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.696 13.343 1.282 1.00 0.83 H new ATOM 0 HG SER A 26 0.361 15.240 1.257 1.00 0.91 H new ATOM 367 N CYS A 27 0.067 10.832 -0.619 1.00 0.58 N ATOM 368 CA CYS A 27 -0.155 9.406 -0.659 1.00 0.55 C ATOM 369 C CYS A 27 0.460 8.843 -1.920 1.00 0.47 C ATOM 370 O CYS A 27 1.268 7.928 -1.863 1.00 0.48 O ATOM 371 CB CYS A 27 -1.645 9.092 -0.637 1.00 0.57 C ATOM 372 SG CYS A 27 -1.994 7.309 -0.645 1.00 0.74 S ATOM 0 H CYS A 27 -0.785 11.387 -0.543 1.00 0.58 H new ATOM 0 HA CYS A 27 0.308 8.953 0.218 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.092 9.540 0.250 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.121 9.554 -1.502 1.00 0.57 H new ATOM 377 N CYS A 28 0.111 9.441 -3.056 1.00 0.42 N ATOM 378 CA CYS A 28 0.579 8.948 -4.338 1.00 0.40 C ATOM 379 C CYS A 28 2.095 8.904 -4.424 1.00 0.45 C ATOM 380 O CYS A 28 2.657 8.018 -5.067 1.00 0.50 O ATOM 381 CB CYS A 28 -0.001 9.750 -5.496 1.00 0.45 C ATOM 382 SG CYS A 28 -1.478 8.976 -6.202 1.00 1.40 S ATOM 0 H CYS A 28 -0.491 10.263 -3.110 1.00 0.42 H new ATOM 0 HA CYS A 28 0.218 7.923 -4.420 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.250 10.753 -5.150 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.755 9.859 -6.273 1.00 0.45 H new ATOM 387 N THR A 29 2.752 9.841 -3.764 1.00 0.51 N ATOM 388 CA THR A 29 4.197 9.843 -3.716 1.00 0.58 C ATOM 389 C THR A 29 4.712 8.649 -2.901 1.00 0.54 C ATOM 390 O THR A 29 5.677 7.987 -3.289 1.00 0.56 O ATOM 391 CB THR A 29 4.729 11.165 -3.121 1.00 0.72 C ATOM 392 OG1 THR A 29 4.382 12.259 -3.982 1.00 0.79 O ATOM 393 CG2 THR A 29 6.237 11.119 -2.930 1.00 0.77 C ATOM 0 H THR A 29 2.307 10.606 -3.257 1.00 0.51 H new ATOM 0 HA THR A 29 4.566 9.754 -4.738 1.00 0.58 H new ATOM 0 HB THR A 29 4.268 11.306 -2.143 1.00 0.72 H new ATOM 0 HG1 THR A 29 3.535 12.652 -3.686 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.580 12.065 -2.510 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.493 10.306 -2.251 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.721 10.953 -3.893 1.00 0.77 H new ATOM 401 N GLY A 30 4.040 8.366 -1.790 1.00 0.54 N ATOM 402 CA GLY A 30 4.419 7.241 -0.954 1.00 0.57 C ATOM 403 C GLY A 30 4.067 5.908 -1.590 1.00 0.47 C ATOM 404 O GLY A 30 4.802 4.927 -1.445 1.00 0.51 O ATOM 0 H GLY A 30 3.237 8.897 -1.453 1.00 0.54 H new ATOM 0 HA2 GLY A 30 5.491 7.278 -0.763 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.920 7.324 0.011 1.00 0.57 H new ATOM 408 N VAL A 31 2.942 5.875 -2.297 1.00 0.41 N ATOM 409 CA VAL A 31 2.510 4.671 -2.995 1.00 0.44 C ATOM 410 C VAL A 31 3.530 4.279 -4.057 1.00 0.39 C ATOM 411 O VAL A 31 4.101 3.190 -4.003 1.00 0.40 O ATOM 412 CB VAL A 31 1.121 4.843 -3.658 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.676 3.550 -4.320 1.00 0.68 C ATOM 414 CG2 VAL A 31 0.081 5.293 -2.648 1.00 0.65 C ATOM 0 H VAL A 31 2.312 6.671 -2.401 1.00 0.41 H new ATOM 0 HA VAL A 31 2.430 3.883 -2.246 1.00 0.44 H new ATOM 0 HB VAL A 31 1.215 5.615 -4.421 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.302 3.694 -4.779 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.398 3.266 -5.086 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.612 2.761 -3.571 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -0.883 5.405 -3.144 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.003 4.549 -1.856 1.00 0.65 H new ATOM 0 HG23 VAL A 31 0.381 6.249 -2.218 1.00 0.65 H new ATOM 424 N LYS A 32 3.793 5.182 -4.998 1.00 0.40 N ATOM 425 CA LYS A 32 4.747 4.898 -6.067 1.00 0.46 C ATOM 426 C LYS A 32 6.148 4.692 -5.500 1.00 0.44 C ATOM 427 O LYS A 32 7.040 4.198 -6.184 1.00 0.49 O ATOM 428 CB LYS A 32 4.751 6.009 -7.121 1.00 0.58 C ATOM 429 CG LYS A 32 5.206 7.365 -6.604 1.00 1.05 C ATOM 430 CD LYS A 32 5.187 8.410 -7.709 1.00 1.14 C ATOM 431 CE LYS A 32 3.798 8.557 -8.307 1.00 1.31 C ATOM 432 NZ LYS A 32 3.778 9.503 -9.453 1.00 1.54 N ATOM 0 H LYS A 32 3.365 6.107 -5.043 1.00 0.40 H new ATOM 0 HA LYS A 32 4.432 3.976 -6.555 1.00 0.46 H new ATOM 0 HB2 LYS A 32 5.401 5.711 -7.943 1.00 0.58 H new ATOM 0 HB3 LYS A 32 3.746 6.109 -7.530 1.00 0.58 H new ATOM 0 HG2 LYS A 32 4.556 7.683 -5.788 1.00 1.05 H new ATOM 0 HG3 LYS A 32 6.213 7.282 -6.196 1.00 1.05 H new ATOM 0 HD2 LYS A 32 5.517 9.369 -7.311 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.894 8.129 -8.490 1.00 1.14 H new ATOM 0 HE2 LYS A 32 3.441 7.581 -8.637 1.00 1.31 H new ATOM 0 HE3 LYS A 32 3.108 8.905 -7.538 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.811 9.572 -9.829 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.093 10.441 -9.134 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.416 9.158 -10.199 1.00 1.54 H new ATOM 446 N ASN A 33 6.335 5.065 -4.244 1.00 0.41 N ATOM 447 CA ASN A 33 7.577 4.781 -3.550 1.00 0.44 C ATOM 448 C ASN A 33 7.625 3.299 -3.199 1.00 0.39 C ATOM 449 O ASN A 33 8.443 2.569 -3.730 1.00 0.46 O ATOM 450 CB ASN A 33 7.707 5.641 -2.285 1.00 0.52 C ATOM 451 CG ASN A 33 9.069 5.534 -1.614 1.00 1.19 C ATOM 452 OD1 ASN A 33 9.751 4.512 -1.697 1.00 2.11 O ATOM 453 ND2 ASN A 33 9.469 6.595 -0.932 1.00 1.58 N ATOM 0 H ASN A 33 5.642 5.565 -3.686 1.00 0.41 H new ATOM 0 HA ASN A 33 8.415 5.026 -4.202 1.00 0.44 H new ATOM 0 HB2 ASN A 33 7.519 6.683 -2.543 1.00 0.52 H new ATOM 0 HB3 ASN A 33 6.936 5.345 -1.573 1.00 0.52 H new ATOM 0 HD21 ASN A 33 10.369 6.584 -0.453 1.00 1.58 H new ATOM 0 HD22 ASN A 33 8.877 7.424 -0.885 1.00 1.58 H new ATOM 460 N ILE A 34 6.713 2.854 -2.340 1.00 0.36 N ATOM 461 CA ILE A 34 6.665 1.455 -1.912 1.00 0.40 C ATOM 462 C ILE A 34 6.590 0.479 -3.091 1.00 0.48 C ATOM 463 O ILE A 34 6.989 -0.680 -2.973 1.00 0.57 O ATOM 464 CB ILE A 34 5.503 1.250 -0.904 1.00 0.48 C ATOM 465 CG1 ILE A 34 6.051 1.371 0.521 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.775 -0.082 -1.091 1.00 0.65 C ATOM 467 CD1 ILE A 34 7.089 2.465 0.680 1.00 0.58 C ATOM 0 H ILE A 34 5.992 3.444 -1.923 1.00 0.36 H new ATOM 0 HA ILE A 34 7.603 1.226 -1.406 1.00 0.40 H new ATOM 0 HB ILE A 34 4.761 2.026 -1.091 1.00 0.48 H new ATOM 0 HG12 ILE A 34 5.224 1.564 1.204 1.00 0.61 H new ATOM 0 HG13 ILE A 34 6.491 0.418 0.814 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.974 -0.165 -0.356 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.353 -0.128 -2.095 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.479 -0.903 -0.955 1.00 0.65 H new ATOM 0 HD11 ILE A 34 7.433 2.493 1.714 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.934 2.263 0.022 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.647 3.426 0.418 1.00 0.58 H new ATOM 479 N LEU A 35 6.122 0.948 -4.234 1.00 0.56 N ATOM 480 CA LEU A 35 6.133 0.125 -5.429 1.00 0.79 C ATOM 481 C LEU A 35 7.403 0.320 -6.246 1.00 0.93 C ATOM 482 O LEU A 35 8.251 -0.570 -6.323 1.00 1.31 O ATOM 483 CB LEU A 35 4.912 0.415 -6.303 1.00 1.04 C ATOM 484 CG LEU A 35 3.596 -0.209 -5.836 1.00 1.16 C ATOM 485 CD1 LEU A 35 3.844 -1.387 -4.901 1.00 1.36 C ATOM 486 CD2 LEU A 35 2.702 0.825 -5.175 1.00 1.93 C ATOM 0 H LEU A 35 5.734 1.883 -4.359 1.00 0.56 H new ATOM 0 HA LEU A 35 6.100 -0.912 -5.096 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.779 1.495 -6.362 1.00 1.04 H new ATOM 0 HB3 LEU A 35 5.120 0.064 -7.314 1.00 1.04 H new ATOM 0 HG LEU A 35 3.080 -0.585 -6.719 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.890 -1.809 -4.586 1.00 1.36 H new ATOM 0 HD12 LEU A 35 4.424 -2.149 -5.422 1.00 1.36 H new ATOM 0 HD13 LEU A 35 4.396 -1.046 -4.025 1.00 1.36 H new ATOM 0 HD21 LEU A 35 1.774 0.352 -4.854 1.00 1.93 H new ATOM 0 HD22 LEU A 35 3.213 1.247 -4.310 1.00 1.93 H new ATOM 0 HD23 LEU A 35 2.477 1.619 -5.887 1.00 1.93 H new ATOM 498 N ASN A 36 7.526 1.484 -6.851 1.00 0.89 N ATOM 499 CA ASN A 36 8.619 1.755 -7.779 1.00 1.06 C ATOM 500 C ASN A 36 9.907 2.129 -7.053 1.00 1.01 C ATOM 501 O ASN A 36 10.958 1.527 -7.276 1.00 1.13 O ATOM 502 CB ASN A 36 8.232 2.885 -8.735 1.00 1.21 C ATOM 503 CG ASN A 36 9.183 2.989 -9.910 1.00 1.58 C ATOM 504 OD1 ASN A 36 10.190 3.698 -9.859 1.00 2.45 O ATOM 505 ND2 ASN A 36 8.862 2.282 -10.978 1.00 1.81 N ATOM 0 H ASN A 36 6.882 2.264 -6.720 1.00 0.89 H new ATOM 0 HA ASN A 36 8.800 0.838 -8.339 1.00 1.06 H new ATOM 0 HB2 ASN A 36 7.220 2.717 -9.102 1.00 1.21 H new ATOM 0 HB3 ASN A 36 8.222 3.830 -8.193 1.00 1.21 H new ATOM 0 HD21 ASN A 36 9.458 2.309 -11.806 1.00 1.81 H new ATOM 0 HD22 ASN A 36 8.018 1.709 -10.975 1.00 1.81 H new ATOM 512 N SER A 37 9.815 3.116 -6.172 1.00 0.90 N ATOM 513 CA SER A 37 10.996 3.683 -5.525 1.00 0.98 C ATOM 514 C SER A 37 11.579 2.755 -4.457 1.00 0.84 C ATOM 515 O SER A 37 12.688 2.983 -3.973 1.00 0.94 O ATOM 516 CB SER A 37 10.657 5.046 -4.921 1.00 1.05 C ATOM 517 OG SER A 37 10.128 5.918 -5.911 1.00 1.55 O ATOM 0 H SER A 37 8.934 3.543 -5.887 1.00 0.90 H new ATOM 0 HA SER A 37 11.761 3.804 -6.292 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.934 4.922 -4.115 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.552 5.487 -4.482 1.00 1.05 H new ATOM 0 HG SER A 37 9.916 6.784 -5.504 1.00 1.55 H new ATOM 523 N SER A 38 10.841 1.717 -4.089 1.00 0.67 N ATOM 524 CA SER A 38 11.351 0.720 -3.171 1.00 0.58 C ATOM 525 C SER A 38 12.435 -0.081 -3.894 1.00 0.67 C ATOM 526 O SER A 38 12.176 -0.677 -4.934 1.00 1.22 O ATOM 527 CB SER A 38 10.201 -0.172 -2.688 1.00 0.54 C ATOM 528 OG SER A 38 9.561 -0.831 -3.771 1.00 1.43 O ATOM 0 H SER A 38 9.889 1.547 -4.414 1.00 0.67 H new ATOM 0 HA SER A 38 11.790 1.185 -2.288 1.00 0.58 H new ATOM 0 HB2 SER A 38 10.584 -0.912 -1.986 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.473 0.433 -2.148 1.00 0.54 H new ATOM 0 HG SER A 38 8.622 -0.996 -3.545 1.00 1.43 H new ATOM 534 N ARG A 39 13.660 -0.052 -3.385 1.00 0.87 N ATOM 535 CA ARG A 39 14.779 -0.628 -4.121 1.00 1.08 C ATOM 536 C ARG A 39 15.268 -1.948 -3.537 1.00 0.84 C ATOM 537 O ARG A 39 15.322 -2.958 -4.234 1.00 1.22 O ATOM 538 CB ARG A 39 15.943 0.366 -4.187 1.00 1.40 C ATOM 539 CG ARG A 39 17.197 -0.210 -4.834 1.00 1.90 C ATOM 540 CD ARG A 39 18.125 0.880 -5.351 1.00 2.25 C ATOM 541 NE ARG A 39 18.472 1.868 -4.331 1.00 2.89 N ATOM 542 CZ ARG A 39 19.624 2.538 -4.315 1.00 3.60 C ATOM 543 NH1 ARG A 39 20.597 2.222 -5.163 1.00 3.87 N ATOM 544 NH2 ARG A 39 19.823 3.502 -3.423 1.00 4.47 N ATOM 0 H ARG A 39 13.902 0.356 -2.482 1.00 0.87 H new ATOM 0 HA ARG A 39 14.407 -0.839 -5.124 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.627 1.247 -4.746 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.184 0.699 -3.177 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.729 -0.825 -4.108 1.00 1.90 H new ATOM 0 HG3 ARG A 39 16.912 -0.864 -5.658 1.00 1.90 H new ATOM 0 HD2 ARG A 39 19.038 0.422 -5.730 1.00 2.25 H new ATOM 0 HD3 ARG A 39 17.649 1.386 -6.191 1.00 2.25 H new ATOM 0 HE ARG A 39 17.795 2.055 -3.591 1.00 2.89 H new ATOM 0 HH11 ARG A 39 20.465 1.463 -5.831 1.00 3.87 H new ATOM 0 HH12 ARG A 39 21.476 2.739 -5.146 1.00 3.87 H new ATOM 0 HH21 ARG A 39 19.093 3.731 -2.748 1.00 4.47 H new ATOM 0 HH22 ARG A 39 20.706 4.013 -3.413 1.00 4.47 H new ATOM 558 N THR A 40 15.624 -1.938 -2.264 1.00 0.62 N ATOM 559 CA THR A 40 16.354 -3.049 -1.676 1.00 0.70 C ATOM 560 C THR A 40 15.433 -4.163 -1.189 1.00 0.75 C ATOM 561 O THR A 40 14.210 -4.103 -1.346 1.00 0.61 O ATOM 562 CB THR A 40 17.226 -2.561 -0.508 1.00 0.88 C ATOM 563 OG1 THR A 40 16.399 -2.062 0.553 1.00 1.59 O ATOM 564 CG2 THR A 40 18.170 -1.469 -0.980 1.00 1.25 C ATOM 0 H THR A 40 15.420 -1.175 -1.619 1.00 0.62 H new ATOM 0 HA THR A 40 16.984 -3.460 -2.465 1.00 0.70 H new ATOM 0 HB THR A 40 17.812 -3.402 -0.136 1.00 0.88 H new ATOM 0 HG1 THR A 40 15.787 -1.384 0.199 1.00 1.59 H new ATOM 0 HG21 THR A 40 18.783 -1.131 -0.144 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.814 -1.860 -1.767 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.592 -0.631 -1.368 1.00 1.25 H new ATOM 572 N THR A 41 16.034 -5.181 -0.590 1.00 1.03 N ATOM 573 CA THR A 41 15.285 -6.282 -0.019 1.00 1.16 C ATOM 574 C THR A 41 14.455 -5.789 1.157 1.00 1.04 C ATOM 575 O THR A 41 13.284 -6.140 1.298 1.00 0.97 O ATOM 576 CB THR A 41 16.224 -7.397 0.455 1.00 1.58 C ATOM 577 OG1 THR A 41 17.160 -7.715 -0.584 1.00 1.79 O ATOM 578 CG2 THR A 41 15.436 -8.641 0.835 1.00 1.73 C ATOM 0 H THR A 41 17.046 -5.264 -0.488 1.00 1.03 H new ATOM 0 HA THR A 41 14.629 -6.682 -0.792 1.00 1.16 H new ATOM 0 HB THR A 41 16.761 -7.046 1.336 1.00 1.58 H new ATOM 0 HG1 THR A 41 17.760 -8.427 -0.277 1.00 1.79 H new ATOM 0 HG21 THR A 41 16.123 -9.419 1.168 1.00 1.73 H new ATOM 0 HG22 THR A 41 14.742 -8.400 1.640 1.00 1.73 H new ATOM 0 HG23 THR A 41 14.878 -8.997 -0.031 1.00 1.73 H new ATOM 586 N ALA A 42 15.057 -4.937 1.979 1.00 1.12 N ATOM 587 CA ALA A 42 14.356 -4.344 3.109 1.00 1.18 C ATOM 588 C ALA A 42 13.278 -3.383 2.621 1.00 0.98 C ATOM 589 O ALA A 42 12.423 -2.944 3.383 1.00 1.13 O ATOM 590 CB ALA A 42 15.336 -3.631 4.027 1.00 1.41 C ATOM 0 H ALA A 42 16.029 -4.642 1.883 1.00 1.12 H new ATOM 0 HA ALA A 42 13.874 -5.141 3.676 1.00 1.18 H new ATOM 0 HB1 ALA A 42 14.796 -3.193 4.866 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.070 -4.345 4.400 1.00 1.41 H new ATOM 0 HB3 ALA A 42 15.846 -2.843 3.473 1.00 1.41 H new ATOM 596 N ASP A 43 13.326 -3.070 1.335 1.00 0.74 N ATOM 597 CA ASP A 43 12.317 -2.223 0.722 1.00 0.67 C ATOM 598 C ASP A 43 11.112 -3.034 0.281 1.00 0.64 C ATOM 599 O ASP A 43 9.982 -2.671 0.579 1.00 0.93 O ATOM 600 CB ASP A 43 12.880 -1.482 -0.490 1.00 0.63 C ATOM 601 CG ASP A 43 13.617 -0.210 -0.142 1.00 1.00 C ATOM 602 OD1 ASP A 43 12.967 0.759 0.296 1.00 1.72 O ATOM 603 OD2 ASP A 43 14.846 -0.162 -0.356 1.00 1.18 O ATOM 0 H ASP A 43 14.054 -3.391 0.696 1.00 0.74 H new ATOM 0 HA ASP A 43 12.010 -1.501 1.478 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.556 -2.146 -1.028 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.062 -1.242 -1.169 1.00 0.63 H new ATOM 608 N ARG A 44 11.349 -4.135 -0.424 1.00 0.54 N ATOM 609 CA ARG A 44 10.257 -4.859 -1.071 1.00 0.61 C ATOM 610 C ARG A 44 9.882 -6.155 -0.357 1.00 0.67 C ATOM 611 O ARG A 44 8.798 -6.688 -0.576 1.00 0.93 O ATOM 612 CB ARG A 44 10.587 -5.125 -2.539 1.00 0.76 C ATOM 613 CG ARG A 44 10.594 -3.853 -3.367 1.00 1.39 C ATOM 614 CD ARG A 44 10.754 -4.128 -4.852 1.00 1.53 C ATOM 615 NE ARG A 44 10.629 -2.899 -5.635 1.00 1.70 N ATOM 616 CZ ARG A 44 11.068 -2.753 -6.884 1.00 2.01 C ATOM 617 NH1 ARG A 44 11.641 -3.771 -7.515 1.00 2.34 N ATOM 618 NH2 ARG A 44 10.938 -1.583 -7.500 1.00 2.70 N ATOM 0 H ARG A 44 12.274 -4.543 -0.562 1.00 0.54 H new ATOM 0 HA ARG A 44 9.380 -4.214 -1.010 1.00 0.61 H new ATOM 0 HB2 ARG A 44 11.562 -5.607 -2.608 1.00 0.76 H new ATOM 0 HB3 ARG A 44 9.858 -5.821 -2.953 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.665 -3.309 -3.199 1.00 1.39 H new ATOM 0 HG3 ARG A 44 11.406 -3.208 -3.030 1.00 1.39 H new ATOM 0 HD2 ARG A 44 11.727 -4.583 -5.037 1.00 1.53 H new ATOM 0 HD3 ARG A 44 10.000 -4.846 -5.175 1.00 1.53 H new ATOM 0 HE ARG A 44 10.175 -2.099 -5.194 1.00 1.70 H new ATOM 0 HH11 ARG A 44 11.746 -4.669 -7.043 1.00 2.34 H new ATOM 0 HH12 ARG A 44 11.976 -3.655 -8.471 1.00 2.34 H new ATOM 0 HH21 ARG A 44 10.502 -0.798 -7.016 1.00 2.70 H new ATOM 0 HH22 ARG A 44 11.274 -1.470 -8.456 1.00 2.70 H new ATOM 632 N ARG A 45 10.747 -6.662 0.501 1.00 0.66 N ATOM 633 CA ARG A 45 10.416 -7.863 1.254 1.00 0.72 C ATOM 634 C ARG A 45 9.901 -7.491 2.636 1.00 0.76 C ATOM 635 O ARG A 45 9.130 -8.229 3.249 1.00 1.28 O ATOM 636 CB ARG A 45 11.626 -8.794 1.367 1.00 0.88 C ATOM 637 CG ARG A 45 11.277 -10.171 1.910 1.00 1.16 C ATOM 638 CD ARG A 45 10.365 -10.929 0.958 1.00 1.34 C ATOM 639 NE ARG A 45 11.028 -11.232 -0.310 1.00 1.99 N ATOM 640 CZ ARG A 45 10.647 -10.740 -1.491 1.00 2.61 C ATOM 641 NH1 ARG A 45 9.600 -9.927 -1.575 1.00 2.84 N ATOM 642 NH2 ARG A 45 11.309 -11.067 -2.591 1.00 3.54 N ATOM 0 H ARG A 45 11.669 -6.271 0.694 1.00 0.66 H new ATOM 0 HA ARG A 45 9.632 -8.396 0.717 1.00 0.72 H new ATOM 0 HB2 ARG A 45 12.084 -8.904 0.384 1.00 0.88 H new ATOM 0 HB3 ARG A 45 12.371 -8.333 2.016 1.00 0.88 H new ATOM 0 HG2 ARG A 45 12.191 -10.742 2.072 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.789 -10.068 2.879 1.00 1.16 H new ATOM 0 HD2 ARG A 45 10.041 -11.857 1.428 1.00 1.34 H new ATOM 0 HD3 ARG A 45 9.469 -10.338 0.767 1.00 1.34 H new ATOM 0 HE ARG A 45 11.832 -11.859 -0.291 1.00 1.99 H new ATOM 0 HH11 ARG A 45 9.081 -9.675 -0.734 1.00 2.84 H new ATOM 0 HH12 ARG A 45 9.315 -9.555 -2.481 1.00 2.84 H new ATOM 0 HH21 ARG A 45 12.111 -11.695 -2.536 1.00 3.54 H new ATOM 0 HH22 ARG A 45 11.017 -10.691 -3.493 1.00 3.54 H new ATOM 656 N ALA A 46 10.317 -6.336 3.124 1.00 0.51 N ATOM 657 CA ALA A 46 9.819 -5.844 4.395 1.00 0.53 C ATOM 658 C ALA A 46 8.520 -5.080 4.190 1.00 0.44 C ATOM 659 O ALA A 46 7.706 -4.957 5.108 1.00 0.53 O ATOM 660 CB ALA A 46 10.857 -4.969 5.078 1.00 0.64 C ATOM 0 H ALA A 46 10.993 -5.726 2.664 1.00 0.51 H new ATOM 0 HA ALA A 46 9.620 -6.697 5.043 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.462 -4.611 6.029 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.762 -5.550 5.256 1.00 0.64 H new ATOM 0 HB3 ALA A 46 11.092 -4.118 4.439 1.00 0.64 H new ATOM 666 N VAL A 47 8.313 -4.583 2.974 1.00 0.35 N ATOM 667 CA VAL A 47 7.114 -3.820 2.677 1.00 0.38 C ATOM 668 C VAL A 47 5.885 -4.713 2.677 1.00 0.42 C ATOM 669 O VAL A 47 4.860 -4.342 3.221 1.00 0.50 O ATOM 670 CB VAL A 47 7.198 -3.054 1.334 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.234 -3.993 0.139 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.036 -2.092 1.205 1.00 0.70 C ATOM 0 H VAL A 47 8.954 -4.695 2.189 1.00 0.35 H new ATOM 0 HA VAL A 47 7.029 -3.079 3.471 1.00 0.38 H new ATOM 0 HB VAL A 47 8.134 -2.495 1.339 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.293 -3.410 -0.780 1.00 0.50 H new ATOM 0 HG12 VAL A 47 8.106 -4.643 0.213 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.329 -4.600 0.126 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.108 -1.560 0.256 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.099 -2.647 1.240 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.064 -1.375 2.026 1.00 0.70 H new ATOM 682 N CYS A 48 5.995 -5.897 2.097 1.00 0.44 N ATOM 683 CA CYS A 48 4.868 -6.816 2.033 1.00 0.56 C ATOM 684 C CYS A 48 4.545 -7.358 3.421 1.00 0.59 C ATOM 685 O CYS A 48 3.383 -7.573 3.766 1.00 0.68 O ATOM 686 CB CYS A 48 5.173 -7.949 1.052 1.00 0.68 C ATOM 687 SG CYS A 48 6.796 -8.740 1.287 1.00 1.78 S ATOM 0 H CYS A 48 6.851 -6.245 1.664 1.00 0.44 H new ATOM 0 HA CYS A 48 3.990 -6.280 1.672 1.00 0.56 H new ATOM 0 HB2 CYS A 48 4.397 -8.709 1.143 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.118 -7.557 0.036 1.00 0.68 H new ATOM 692 N SER A 49 5.585 -7.554 4.216 1.00 0.59 N ATOM 693 CA SER A 49 5.435 -8.004 5.589 1.00 0.73 C ATOM 694 C SER A 49 4.712 -6.950 6.432 1.00 0.73 C ATOM 695 O SER A 49 3.896 -7.281 7.296 1.00 0.96 O ATOM 696 CB SER A 49 6.815 -8.314 6.172 1.00 0.84 C ATOM 697 OG SER A 49 6.724 -8.851 7.481 1.00 1.41 O ATOM 0 H SER A 49 6.552 -7.406 3.929 1.00 0.59 H new ATOM 0 HA SER A 49 4.828 -8.909 5.604 1.00 0.73 H new ATOM 0 HB2 SER A 49 7.333 -9.021 5.524 1.00 0.84 H new ATOM 0 HB3 SER A 49 7.414 -7.403 6.193 1.00 0.84 H new ATOM 0 HG SER A 49 7.624 -9.038 7.821 1.00 1.41 H new ATOM 703 N CYS A 50 4.999 -5.681 6.172 1.00 0.57 N ATOM 704 CA CYS A 50 4.348 -4.599 6.897 1.00 0.60 C ATOM 705 C CYS A 50 3.004 -4.259 6.266 1.00 0.55 C ATOM 706 O CYS A 50 2.039 -3.965 6.972 1.00 0.59 O ATOM 707 CB CYS A 50 5.232 -3.359 6.936 1.00 0.63 C ATOM 708 SG CYS A 50 4.493 -1.962 7.844 1.00 1.11 S ATOM 0 H CYS A 50 5.673 -5.378 5.470 1.00 0.57 H new ATOM 0 HA CYS A 50 4.181 -4.938 7.919 1.00 0.60 H new ATOM 0 HB2 CYS A 50 6.185 -3.617 7.397 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.447 -3.044 5.915 1.00 0.63 H new ATOM 713 N LEU A 51 2.950 -4.299 4.931 1.00 0.51 N ATOM 714 CA LEU A 51 1.712 -4.096 4.194 1.00 0.55 C ATOM 715 C LEU A 51 0.606 -4.977 4.767 1.00 0.63 C ATOM 716 O LEU A 51 -0.557 -4.589 4.803 1.00 0.63 O ATOM 717 CB LEU A 51 1.917 -4.426 2.710 1.00 0.66 C ATOM 718 CG LEU A 51 0.677 -4.290 1.821 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.232 -2.839 1.726 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.956 -4.852 0.440 1.00 1.33 C ATOM 0 H LEU A 51 3.762 -4.473 4.339 1.00 0.51 H new ATOM 0 HA LEU A 51 1.421 -3.050 4.290 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.697 -3.774 2.316 1.00 0.66 H new ATOM 0 HB3 LEU A 51 2.287 -5.448 2.632 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.133 -4.862 2.275 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.650 -2.770 1.089 1.00 1.33 H new ATOM 0 HD12 LEU A 51 -0.009 -2.466 2.722 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.036 -2.239 1.299 1.00 1.33 H new ATOM 0 HD21 LEU A 51 0.066 -4.749 -0.181 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.782 -4.305 -0.015 1.00 1.33 H new ATOM 0 HD23 LEU A 51 1.221 -5.906 0.523 1.00 1.33 H new ATOM 732 N LYS A 52 0.999 -6.165 5.219 1.00 0.80 N ATOM 733 CA LYS A 52 0.087 -7.106 5.856 1.00 0.99 C ATOM 734 C LYS A 52 -0.687 -6.456 7.008 1.00 0.92 C ATOM 735 O LYS A 52 -1.898 -6.641 7.132 1.00 1.02 O ATOM 736 CB LYS A 52 0.876 -8.319 6.360 1.00 1.32 C ATOM 737 CG LYS A 52 0.072 -9.259 7.242 1.00 1.40 C ATOM 738 CD LYS A 52 0.884 -10.481 7.646 1.00 1.78 C ATOM 739 CE LYS A 52 1.208 -11.352 6.444 1.00 1.79 C ATOM 740 NZ LYS A 52 -0.015 -11.948 5.847 1.00 2.30 N ATOM 0 H LYS A 52 1.960 -6.501 5.153 1.00 0.80 H new ATOM 0 HA LYS A 52 -0.645 -7.427 5.115 1.00 0.99 H new ATOM 0 HB2 LYS A 52 1.252 -8.876 5.502 1.00 1.32 H new ATOM 0 HB3 LYS A 52 1.744 -7.968 6.918 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -0.257 -8.728 8.136 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -0.826 -9.577 6.712 1.00 1.40 H new ATOM 0 HD2 LYS A 52 1.809 -10.163 8.127 1.00 1.78 H new ATOM 0 HD3 LYS A 52 0.327 -11.063 8.380 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.726 -10.756 5.692 1.00 1.79 H new ATOM 0 HE3 LYS A 52 1.890 -12.147 6.745 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 0.254 -12.710 5.193 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -0.616 -12.336 6.602 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.540 -11.216 5.328 1.00 2.30 H new ATOM 754 N ALA A 53 0.008 -5.690 7.841 1.00 0.88 N ATOM 755 CA ALA A 53 -0.639 -5.018 8.962 1.00 0.95 C ATOM 756 C ALA A 53 -1.346 -3.758 8.496 1.00 0.91 C ATOM 757 O ALA A 53 -2.458 -3.473 8.920 1.00 1.10 O ATOM 758 CB ALA A 53 0.367 -4.668 10.046 1.00 1.06 C ATOM 0 H ALA A 53 1.011 -5.520 7.763 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.374 -5.707 9.378 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.144 -4.168 10.869 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.839 -5.580 10.412 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.128 -4.005 9.635 1.00 1.06 H new ATOM 764 N ALA A 54 -0.699 -3.020 7.610 1.00 0.79 N ATOM 765 CA ALA A 54 -1.235 -1.753 7.128 1.00 0.87 C ATOM 766 C ALA A 54 -2.532 -1.955 6.343 1.00 0.94 C ATOM 767 O ALA A 54 -3.492 -1.205 6.513 1.00 1.16 O ATOM 768 CB ALA A 54 -0.194 -1.034 6.285 1.00 0.89 C ATOM 0 H ALA A 54 0.202 -3.276 7.207 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.475 -1.134 7.992 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.604 -0.089 5.929 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.693 -0.841 6.889 1.00 0.89 H new ATOM 0 HB3 ALA A 54 0.076 -1.656 5.432 1.00 0.89 H new ATOM 774 N ALA A 55 -2.567 -2.984 5.505 1.00 0.88 N ATOM 775 CA ALA A 55 -3.753 -3.286 4.710 1.00 0.97 C ATOM 776 C ALA A 55 -4.779 -4.051 5.537 1.00 0.96 C ATOM 777 O ALA A 55 -5.919 -4.245 5.113 1.00 1.07 O ATOM 778 CB ALA A 55 -3.379 -4.077 3.468 1.00 1.11 C ATOM 0 H ALA A 55 -1.787 -3.625 5.358 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.199 -2.342 4.398 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -4.277 -4.292 2.889 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -2.687 -3.494 2.860 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -2.904 -5.013 3.762 1.00 1.11 H new ATOM 784 N GLY A 56 -4.360 -4.494 6.712 1.00 0.96 N ATOM 785 CA GLY A 56 -5.261 -5.184 7.608 1.00 1.05 C ATOM 786 C GLY A 56 -5.723 -4.288 8.737 1.00 0.99 C ATOM 787 O GLY A 56 -6.577 -4.673 9.534 1.00 1.08 O ATOM 0 H GLY A 56 -3.408 -4.387 7.062 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.126 -5.541 7.050 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -4.763 -6.061 8.020 1.00 1.05 H new ATOM 791 N ALA A 57 -5.167 -3.082 8.794 1.00 0.98 N ATOM 792 CA ALA A 57 -5.498 -2.125 9.845 1.00 1.11 C ATOM 793 C ALA A 57 -6.853 -1.473 9.574 1.00 1.10 C ATOM 794 O ALA A 57 -7.442 -0.839 10.451 1.00 1.53 O ATOM 795 CB ALA A 57 -4.414 -1.059 9.952 1.00 1.34 C ATOM 0 H ALA A 57 -4.481 -2.742 8.120 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.557 -2.663 10.791 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -4.675 -0.353 10.740 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.461 -1.532 10.189 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -4.330 -0.529 9.003 1.00 1.34 H new ATOM 801 N VAL A 58 -7.328 -1.649 8.341 1.00 0.89 N ATOM 802 CA VAL A 58 -8.596 -1.088 7.873 1.00 1.10 C ATOM 803 C VAL A 58 -9.777 -1.493 8.760 1.00 1.08 C ATOM 804 O VAL A 58 -10.342 -2.580 8.631 1.00 1.78 O ATOM 805 CB VAL A 58 -8.851 -1.498 6.411 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.872 -0.771 5.504 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.720 -3.005 6.225 1.00 2.36 C ATOM 0 H VAL A 58 -6.837 -2.192 7.630 1.00 0.89 H new ATOM 0 HA VAL A 58 -8.513 -0.003 7.933 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.872 -1.220 6.148 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -8.052 -1.060 4.469 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -8.009 0.305 5.609 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.852 -1.036 5.783 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -8.906 -3.260 5.182 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.714 -3.320 6.502 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.446 -3.514 6.858 1.00 2.36 H new ATOM 817 N ARG A 59 -10.119 -0.614 9.689 1.00 0.92 N ATOM 818 CA ARG A 59 -11.286 -0.797 10.531 1.00 1.16 C ATOM 819 C ARG A 59 -12.388 0.120 10.031 1.00 1.18 C ATOM 820 O ARG A 59 -12.440 1.299 10.381 1.00 1.83 O ATOM 821 CB ARG A 59 -10.946 -0.488 11.993 1.00 1.63 C ATOM 822 CG ARG A 59 -12.068 -0.786 12.979 1.00 2.16 C ATOM 823 CD ARG A 59 -12.397 -2.271 13.033 1.00 2.64 C ATOM 824 NE ARG A 59 -13.336 -2.674 11.985 1.00 3.01 N ATOM 825 CZ ARG A 59 -13.436 -3.918 11.513 1.00 3.85 C ATOM 826 NH1 ARG A 59 -12.624 -4.869 11.962 1.00 4.30 N ATOM 827 NH2 ARG A 59 -14.348 -4.210 10.591 1.00 4.65 N ATOM 0 H ARG A 59 -9.597 0.242 9.878 1.00 0.92 H new ATOM 0 HA ARG A 59 -11.620 -1.833 10.482 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -10.066 -1.065 12.278 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -10.677 0.565 12.076 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -11.779 -0.442 13.972 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -12.959 -0.227 12.694 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -11.477 -2.848 12.934 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -12.821 -2.511 14.008 1.00 2.64 H new ATOM 0 HE ARG A 59 -13.951 -1.961 11.592 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -11.922 -4.649 12.669 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -12.702 -5.819 11.600 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -14.973 -3.483 10.243 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -14.423 -5.162 10.231 1.00 4.65 H new ATOM 841 N GLY A 60 -13.237 -0.421 9.177 1.00 1.26 N ATOM 842 CA GLY A 60 -14.227 0.389 8.509 1.00 1.50 C ATOM 843 C GLY A 60 -13.782 0.721 7.105 1.00 1.68 C ATOM 844 O GLY A 60 -14.076 1.798 6.587 1.00 2.01 O ATOM 0 H GLY A 60 -13.258 -1.411 8.934 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -15.179 -0.142 8.479 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -14.392 1.308 9.071 1.00 1.50 H new ATOM 848 N ILE A 61 -13.043 -0.204 6.498 1.00 1.67 N ATOM 849 CA ILE A 61 -12.503 0.005 5.165 1.00 1.93 C ATOM 850 C ILE A 61 -13.609 0.198 4.147 1.00 1.67 C ATOM 851 O ILE A 61 -14.672 -0.430 4.216 1.00 2.21 O ATOM 852 CB ILE A 61 -11.607 -1.174 4.698 1.00 2.53 C ATOM 853 CG1 ILE A 61 -10.939 -0.854 3.354 1.00 3.45 C ATOM 854 CG2 ILE A 61 -12.427 -2.450 4.564 1.00 2.78 C ATOM 855 CD1 ILE A 61 -10.141 0.431 3.348 1.00 3.54 C ATOM 0 H ILE A 61 -12.806 -1.106 6.912 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.894 0.907 5.229 1.00 1.93 H new ATOM 0 HB ILE A 61 -10.834 -1.322 5.452 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -10.280 -1.679 3.083 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -11.708 -0.794 2.584 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -11.781 -3.265 4.236 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -12.868 -2.702 5.529 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -13.220 -2.298 3.832 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -9.702 0.582 2.362 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.797 1.268 3.586 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -9.347 0.370 4.092 1.00 3.54 H new ATOM 867 N ASN A 62 -13.361 1.086 3.218 1.00 1.52 N ATOM 868 CA ASN A 62 -14.199 1.180 2.037 1.00 1.54 C ATOM 869 C ASN A 62 -13.610 0.295 0.956 1.00 1.47 C ATOM 870 O ASN A 62 -12.503 0.546 0.489 1.00 1.53 O ATOM 871 CB ASN A 62 -14.318 2.620 1.534 1.00 1.94 C ATOM 872 CG ASN A 62 -15.297 3.448 2.344 1.00 2.79 C ATOM 873 OD1 ASN A 62 -16.254 2.923 2.910 1.00 3.22 O ATOM 874 ND2 ASN A 62 -15.083 4.751 2.380 1.00 3.41 N ATOM 0 H ASN A 62 -12.591 1.754 3.251 1.00 1.52 H new ATOM 0 HA ASN A 62 -15.205 0.849 2.295 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -13.336 3.093 1.566 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -14.634 2.610 0.491 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -15.723 5.359 2.890 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -14.277 5.149 1.897 1.00 3.41 H new ATOM 881 N PRO A 63 -14.332 -0.762 0.555 1.00 1.67 N ATOM 882 CA PRO A 63 -13.840 -1.731 -0.429 1.00 1.87 C ATOM 883 C PRO A 63 -13.442 -1.059 -1.734 1.00 1.64 C ATOM 884 O PRO A 63 -12.512 -1.487 -2.416 1.00 1.59 O ATOM 885 CB PRO A 63 -15.021 -2.674 -0.661 1.00 2.43 C ATOM 886 CG PRO A 63 -15.964 -2.443 0.469 1.00 2.38 C ATOM 887 CD PRO A 63 -15.688 -1.075 1.021 1.00 2.01 C ATOM 0 HA PRO A 63 -12.947 -2.244 -0.072 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -15.502 -2.468 -1.618 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -14.691 -3.713 -0.687 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -16.996 -2.516 0.127 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -15.829 -3.201 1.241 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -16.412 -0.346 0.657 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -15.746 -1.066 2.109 1.00 2.01 H new ATOM 895 N ASN A 64 -14.147 0.012 -2.056 1.00 1.59 N ATOM 896 CA ASN A 64 -13.835 0.812 -3.241 1.00 1.51 C ATOM 897 C ASN A 64 -12.447 1.421 -3.116 1.00 1.16 C ATOM 898 O ASN A 64 -11.661 1.419 -4.059 1.00 1.11 O ATOM 899 CB ASN A 64 -14.866 1.930 -3.428 1.00 1.72 C ATOM 900 CG ASN A 64 -14.568 2.810 -4.633 1.00 2.37 C ATOM 901 OD1 ASN A 64 -15.013 2.529 -5.746 1.00 3.10 O ATOM 902 ND2 ASN A 64 -13.830 3.893 -4.417 1.00 2.83 N ATOM 0 H ASN A 64 -14.942 0.353 -1.516 1.00 1.59 H new ATOM 0 HA ASN A 64 -13.865 0.154 -4.109 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -15.857 1.490 -3.541 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -14.893 2.548 -2.530 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -13.614 4.525 -5.188 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -13.479 4.092 -3.480 1.00 2.83 H new ATOM 909 N ASN A 65 -12.148 1.918 -1.928 1.00 0.99 N ATOM 910 CA ASN A 65 -10.899 2.613 -1.674 1.00 0.74 C ATOM 911 C ASN A 65 -9.802 1.618 -1.356 1.00 0.69 C ATOM 912 O ASN A 65 -8.620 1.951 -1.347 1.00 0.60 O ATOM 913 CB ASN A 65 -11.079 3.609 -0.537 1.00 0.74 C ATOM 914 CG ASN A 65 -12.235 4.558 -0.797 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.606 4.812 -1.944 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.808 5.101 0.259 1.00 1.13 N ATOM 0 H ASN A 65 -12.762 1.851 -1.116 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.608 3.164 -2.569 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -11.254 3.070 0.394 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.161 4.182 -0.407 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.583 5.753 0.140 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.476 4.869 1.195 1.00 1.13 H new ATOM 923 N ALA A 66 -10.212 0.390 -1.101 1.00 0.93 N ATOM 924 CA ALA A 66 -9.284 -0.714 -0.927 1.00 1.07 C ATOM 925 C ALA A 66 -8.617 -1.057 -2.256 1.00 1.02 C ATOM 926 O ALA A 66 -7.520 -1.611 -2.288 1.00 1.05 O ATOM 927 CB ALA A 66 -10.004 -1.926 -0.359 1.00 1.43 C ATOM 0 H ALA A 66 -11.194 0.129 -1.009 1.00 0.93 H new ATOM 0 HA ALA A 66 -8.510 -0.414 -0.220 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -9.295 -2.745 -0.234 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -10.438 -1.671 0.608 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -10.796 -2.232 -1.043 1.00 1.43 H new ATOM 933 N GLU A 67 -9.289 -0.719 -3.354 1.00 1.07 N ATOM 934 CA GLU A 67 -8.722 -0.892 -4.684 1.00 1.12 C ATOM 935 C GLU A 67 -7.935 0.361 -5.063 1.00 0.94 C ATOM 936 O GLU A 67 -7.289 0.427 -6.107 1.00 1.00 O ATOM 937 CB GLU A 67 -9.830 -1.158 -5.706 1.00 1.50 C ATOM 938 CG GLU A 67 -9.341 -1.823 -6.981 1.00 1.80 C ATOM 939 CD GLU A 67 -8.934 -3.267 -6.760 1.00 2.05 C ATOM 940 OE1 GLU A 67 -7.774 -3.504 -6.358 1.00 2.41 O ATOM 941 OE2 GLU A 67 -9.760 -4.174 -6.977 1.00 2.41 O ATOM 0 H GLU A 67 -10.229 -0.323 -3.346 1.00 1.07 H new ATOM 0 HA GLU A 67 -8.051 -1.751 -4.681 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -10.591 -1.789 -5.247 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -10.311 -0.214 -5.961 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -10.128 -1.781 -7.734 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.492 -1.265 -7.376 1.00 1.80 H new ATOM 948 N ALA A 68 -8.001 1.355 -4.190 1.00 0.86 N ATOM 949 CA ALA A 68 -7.211 2.563 -4.337 1.00 0.92 C ATOM 950 C ALA A 68 -5.973 2.472 -3.458 1.00 0.89 C ATOM 951 O ALA A 68 -5.098 3.335 -3.505 1.00 1.14 O ATOM 952 CB ALA A 68 -8.037 3.787 -3.977 1.00 1.00 C ATOM 0 H ALA A 68 -8.601 1.345 -3.365 1.00 0.86 H new ATOM 0 HA ALA A 68 -6.900 2.662 -5.377 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -7.428 4.684 -4.093 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -8.903 3.848 -4.636 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -8.373 3.708 -2.943 1.00 1.00 H new ATOM 958 N LEU A 69 -5.923 1.406 -2.661 1.00 0.79 N ATOM 959 CA LEU A 69 -4.777 1.112 -1.809 1.00 1.01 C ATOM 960 C LEU A 69 -3.533 0.831 -2.666 1.00 1.08 C ATOM 961 O LEU A 69 -2.460 1.357 -2.376 1.00 1.37 O ATOM 962 CB LEU A 69 -5.108 -0.071 -0.878 1.00 1.16 C ATOM 963 CG LEU A 69 -4.108 -0.357 0.248 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.788 -1.123 1.371 1.00 2.29 C ATOM 965 CD2 LEU A 69 -2.912 -1.149 -0.264 1.00 1.96 C ATOM 0 H LEU A 69 -6.677 0.723 -2.589 1.00 0.79 H new ATOM 0 HA LEU A 69 -4.556 1.979 -1.186 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -6.084 0.111 -0.429 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -5.201 -0.969 -1.488 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.749 0.600 0.627 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -4.068 -1.320 2.165 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -5.613 -0.531 1.768 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -5.172 -2.068 0.986 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -2.221 -1.336 0.558 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.254 -2.099 -0.674 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.404 -0.579 -1.042 1.00 1.96 H new ATOM 977 N PRO A 70 -3.644 -0.012 -3.727 1.00 0.88 N ATOM 978 CA PRO A 70 -2.567 -0.179 -4.712 1.00 0.91 C ATOM 979 C PRO A 70 -2.152 1.152 -5.329 1.00 1.02 C ATOM 980 O PRO A 70 -1.015 1.313 -5.768 1.00 1.20 O ATOM 981 CB PRO A 70 -3.178 -1.095 -5.781 1.00 0.77 C ATOM 982 CG PRO A 70 -4.641 -1.082 -5.513 1.00 0.78 C ATOM 983 CD PRO A 70 -4.776 -0.896 -4.037 1.00 0.78 C ATOM 0 HA PRO A 70 -1.664 -0.589 -4.259 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.958 -0.731 -6.785 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -2.774 -2.105 -5.713 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -5.132 -0.275 -6.057 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -5.107 -2.013 -5.835 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.731 -0.443 -3.770 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.711 -1.843 -3.500 1.00 0.78 H new ATOM 991 N GLY A 71 -3.082 2.099 -5.364 1.00 1.06 N ATOM 992 CA GLY A 71 -2.754 3.437 -5.784 1.00 1.36 C ATOM 993 C GLY A 71 -3.501 3.892 -7.018 1.00 1.09 C ATOM 994 O GLY A 71 -3.431 3.261 -8.072 1.00 1.18 O ATOM 0 H GLY A 71 -4.059 1.958 -5.107 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -2.967 4.126 -4.967 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -1.683 3.494 -5.978 1.00 1.36 H new ATOM 998 N LYS A 72 -4.225 4.999 -6.874 1.00 0.90 N ATOM 999 CA LYS A 72 -4.797 5.728 -8.004 1.00 0.78 C ATOM 1000 C LYS A 72 -3.703 6.492 -8.755 1.00 0.73 C ATOM 1001 O LYS A 72 -3.981 7.368 -9.575 1.00 0.99 O ATOM 1002 CB LYS A 72 -5.842 6.724 -7.490 1.00 0.76 C ATOM 1003 CG LYS A 72 -6.880 6.103 -6.570 1.00 1.18 C ATOM 1004 CD LYS A 72 -7.683 5.030 -7.281 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.438 5.607 -8.464 1.00 2.07 C ATOM 1006 NZ LYS A 72 -9.495 6.568 -8.040 1.00 2.61 N ATOM 0 H LYS A 72 -4.433 5.418 -5.967 1.00 0.90 H new ATOM 0 HA LYS A 72 -5.263 5.014 -8.683 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.333 7.528 -6.958 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.349 7.176 -8.342 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -6.385 5.672 -5.700 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.552 6.878 -6.202 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -7.016 4.238 -7.622 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -8.386 4.575 -6.583 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -7.737 6.110 -9.130 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -8.893 4.796 -9.033 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.094 6.808 -8.856 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.080 6.135 -7.297 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -9.050 7.433 -7.671 1.00 2.61 H new ATOM 1020 N CYS A 73 -2.466 6.129 -8.470 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.297 6.834 -8.967 1.00 0.63 C ATOM 1022 C CYS A 73 -0.798 6.205 -10.264 1.00 0.62 C ATOM 1023 O CYS A 73 0.304 6.495 -10.731 1.00 0.77 O ATOM 1024 CB CYS A 73 -0.228 6.790 -7.872 1.00 0.72 C ATOM 1025 SG CYS A 73 -0.939 7.022 -6.214 1.00 1.65 S ATOM 0 H CYS A 73 -2.241 5.328 -7.880 1.00 0.63 H new ATOM 0 HA CYS A 73 -1.544 7.870 -9.199 1.00 0.63 H new ATOM 0 HB2 CYS A 73 0.293 5.833 -7.912 1.00 0.72 H new ATOM 0 HB3 CYS A 73 0.515 7.565 -8.059 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.628 5.343 -10.848 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.288 4.705 -12.104 1.00 0.67 C ATOM 1032 C GLY A 74 -0.628 3.361 -11.900 1.00 0.66 C ATOM 1033 O GLY A 74 -0.401 2.616 -12.854 1.00 0.96 O ATOM 0 H GLY A 74 -2.536 5.075 -10.468 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.191 4.578 -12.701 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.620 5.354 -12.670 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.335 3.042 -10.652 1.00 0.55 N ATOM 1038 CA VAL A 75 0.359 1.810 -10.318 1.00 0.61 C ATOM 1039 C VAL A 75 -0.618 0.668 -10.049 1.00 0.80 C ATOM 1040 O VAL A 75 -1.087 0.474 -8.929 1.00 1.70 O ATOM 1041 CB VAL A 75 1.305 1.998 -9.108 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.628 2.595 -9.560 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.666 2.887 -8.047 1.00 0.51 C ATOM 0 H VAL A 75 -0.569 3.624 -9.847 1.00 0.55 H new ATOM 0 HA VAL A 75 0.963 1.546 -11.186 1.00 0.61 H new ATOM 0 HB VAL A 75 1.489 1.018 -8.668 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.283 2.722 -8.698 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.101 1.928 -10.281 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.450 3.564 -10.026 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.352 3.003 -7.208 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.448 3.865 -8.475 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.260 2.429 -7.698 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.948 -0.065 -11.101 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.789 -1.243 -10.979 1.00 0.90 C ATOM 1055 C ASN A 76 -0.912 -2.457 -10.713 1.00 0.81 C ATOM 1056 O ASN A 76 -0.391 -3.083 -11.637 1.00 0.99 O ATOM 1057 CB ASN A 76 -2.640 -1.460 -12.241 1.00 1.23 C ATOM 1058 CG ASN A 76 -3.728 -0.414 -12.410 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -3.578 0.739 -12.001 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -4.836 -0.805 -13.022 1.00 2.31 N ATOM 0 H ASN A 76 -0.644 0.138 -12.053 1.00 0.78 H new ATOM 0 HA ASN A 76 -2.476 -1.097 -10.146 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -1.991 -1.446 -13.117 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -3.097 -2.448 -12.199 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -5.599 -0.144 -13.167 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -4.926 -1.767 -13.348 1.00 2.31 H new ATOM 1067 N ILE A 77 -0.710 -2.743 -9.439 1.00 0.78 N ATOM 1068 CA ILE A 77 0.182 -3.813 -9.015 1.00 0.91 C ATOM 1069 C ILE A 77 -0.471 -5.189 -9.156 1.00 0.85 C ATOM 1070 O ILE A 77 -1.685 -5.331 -8.997 1.00 0.82 O ATOM 1071 CB ILE A 77 0.657 -3.587 -7.563 1.00 1.19 C ATOM 1072 CG1 ILE A 77 -0.539 -3.441 -6.611 1.00 1.12 C ATOM 1073 CG2 ILE A 77 1.548 -2.355 -7.504 1.00 1.83 C ATOM 1074 CD1 ILE A 77 -0.165 -2.945 -5.230 1.00 1.17 C ATOM 0 H ILE A 77 -1.157 -2.243 -8.670 1.00 0.78 H new ATOM 0 HA ILE A 77 1.049 -3.791 -9.675 1.00 0.91 H new ATOM 0 HB ILE A 77 1.231 -4.456 -7.241 1.00 1.19 H new ATOM 0 HG12 ILE A 77 -1.260 -2.752 -7.051 1.00 1.12 H new ATOM 0 HG13 ILE A 77 -1.037 -4.406 -6.518 1.00 1.12 H new ATOM 0 HG21 ILE A 77 1.882 -2.197 -6.479 1.00 1.83 H new ATOM 0 HG22 ILE A 77 2.414 -2.501 -8.150 1.00 1.83 H new ATOM 0 HG23 ILE A 77 0.987 -1.484 -7.841 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -1.062 -2.868 -4.616 1.00 1.17 H new ATOM 0 HD12 ILE A 77 0.532 -3.645 -4.768 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.305 -1.965 -5.310 1.00 1.17 H new ATOM 1086 N PRO A 78 0.337 -6.207 -9.493 1.00 0.96 N ATOM 1087 CA PRO A 78 -0.141 -7.574 -9.743 1.00 1.03 C ATOM 1088 C PRO A 78 -0.769 -8.238 -8.519 1.00 0.91 C ATOM 1089 O PRO A 78 -1.854 -8.810 -8.618 1.00 1.28 O ATOM 1090 CB PRO A 78 1.123 -8.329 -10.175 1.00 1.24 C ATOM 1091 CG PRO A 78 2.095 -7.271 -10.564 1.00 1.35 C ATOM 1092 CD PRO A 78 1.791 -6.099 -9.682 1.00 1.15 C ATOM 0 HA PRO A 78 -0.937 -7.578 -10.487 1.00 1.03 H new ATOM 0 HB2 PRO A 78 1.513 -8.942 -9.362 1.00 1.24 H new ATOM 0 HB3 PRO A 78 0.916 -8.999 -11.009 1.00 1.24 H new ATOM 0 HG2 PRO A 78 3.121 -7.611 -10.424 1.00 1.35 H new ATOM 0 HG3 PRO A 78 1.987 -7.008 -11.616 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.328 -6.155 -8.735 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.070 -5.156 -10.151 1.00 1.15 H new ATOM 1100 N TYR A 79 -0.092 -8.186 -7.373 1.00 0.89 N ATOM 1101 CA TYR A 79 -0.642 -8.780 -6.157 1.00 0.80 C ATOM 1102 C TYR A 79 -1.824 -7.960 -5.657 1.00 0.85 C ATOM 1103 O TYR A 79 -2.001 -6.802 -6.040 1.00 1.07 O ATOM 1104 CB TYR A 79 0.424 -8.927 -5.054 1.00 0.91 C ATOM 1105 CG TYR A 79 1.037 -7.633 -4.543 1.00 0.81 C ATOM 1106 CD1 TYR A 79 0.242 -6.662 -3.943 1.00 0.99 C ATOM 1107 CD2 TYR A 79 2.399 -7.369 -4.678 1.00 0.84 C ATOM 1108 CE1 TYR A 79 0.780 -5.471 -3.499 1.00 1.13 C ATOM 1109 CE2 TYR A 79 2.943 -6.183 -4.229 1.00 0.99 C ATOM 1110 CZ TYR A 79 2.185 -5.288 -3.575 1.00 1.10 C ATOM 1111 OH TYR A 79 2.670 -4.051 -3.198 1.00 1.38 O ATOM 0 H TYR A 79 0.822 -7.747 -7.261 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.987 -9.783 -6.407 1.00 0.80 H new ATOM 0 HB2 TYR A 79 -0.025 -9.451 -4.210 1.00 0.91 H new ATOM 0 HB3 TYR A 79 1.226 -9.561 -5.433 1.00 0.91 H new ATOM 0 HD1 TYR A 79 -0.816 -6.843 -3.822 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.039 -8.105 -5.142 1.00 0.84 H new ATOM 0 HE1 TYR A 79 0.144 -4.694 -3.102 1.00 1.13 H new ATOM 0 HE2 TYR A 79 3.988 -5.973 -4.405 1.00 0.99 H new ATOM 0 HH TYR A 79 3.646 -4.040 -3.290 1.00 1.38 H new ATOM 1121 N LYS A 80 -2.630 -8.557 -4.797 1.00 0.87 N ATOM 1122 CA LYS A 80 -3.764 -7.856 -4.234 1.00 1.11 C ATOM 1123 C LYS A 80 -3.517 -7.578 -2.755 1.00 1.06 C ATOM 1124 O LYS A 80 -2.615 -8.159 -2.154 1.00 1.49 O ATOM 1125 CB LYS A 80 -5.054 -8.661 -4.432 1.00 1.41 C ATOM 1126 CG LYS A 80 -6.317 -7.848 -4.178 1.00 2.02 C ATOM 1127 CD LYS A 80 -6.393 -6.644 -5.106 1.00 2.55 C ATOM 1128 CE LYS A 80 -6.906 -7.033 -6.484 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.964 -5.868 -7.409 1.00 3.48 N ATOM 0 H LYS A 80 -2.520 -9.519 -4.477 1.00 0.87 H new ATOM 0 HA LYS A 80 -3.884 -6.905 -4.753 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -5.079 -9.049 -5.450 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -5.043 -9.521 -3.763 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -7.194 -8.479 -4.324 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -6.334 -7.513 -3.141 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -7.049 -5.890 -4.672 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -5.406 -6.192 -5.199 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -6.258 -7.800 -6.908 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -7.900 -7.471 -6.390 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -7.821 -5.932 -7.995 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.988 -4.987 -6.857 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -6.124 -5.870 -8.022 1.00 3.48 H new ATOM 1143 N ILE A 81 -4.324 -6.697 -2.175 1.00 1.13 N ATOM 1144 CA ILE A 81 -4.156 -6.287 -0.785 1.00 1.19 C ATOM 1145 C ILE A 81 -4.567 -7.391 0.185 1.00 1.22 C ATOM 1146 O ILE A 81 -4.348 -7.277 1.391 1.00 1.37 O ATOM 1147 CB ILE A 81 -4.976 -5.020 -0.475 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -6.477 -5.319 -0.534 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -4.619 -3.917 -1.459 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -7.341 -4.186 -0.028 1.00 2.55 C ATOM 0 H ILE A 81 -5.108 -6.249 -2.650 1.00 1.13 H new ATOM 0 HA ILE A 81 -3.095 -6.076 -0.651 1.00 1.19 H new ATOM 0 HB ILE A 81 -4.734 -4.687 0.534 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -6.754 -5.544 -1.564 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -6.684 -6.213 0.054 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -5.203 -3.025 -1.233 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -3.557 -3.686 -1.377 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -4.841 -4.249 -2.473 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -8.391 -4.469 -0.100 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -7.092 -3.975 1.012 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -7.163 -3.296 -0.631 1.00 2.55 H new ATOM 1162 N SER A 82 -5.185 -8.439 -0.344 1.00 1.31 N ATOM 1163 CA SER A 82 -5.596 -9.570 0.465 1.00 1.50 C ATOM 1164 C SER A 82 -4.376 -10.181 1.142 1.00 1.47 C ATOM 1165 O SER A 82 -3.417 -10.574 0.475 1.00 1.81 O ATOM 1166 CB SER A 82 -6.303 -10.613 -0.402 1.00 1.79 C ATOM 1167 OG SER A 82 -6.932 -11.602 0.397 1.00 2.45 O ATOM 0 H SER A 82 -5.412 -8.526 -1.335 1.00 1.31 H new ATOM 0 HA SER A 82 -6.295 -9.230 1.229 1.00 1.50 H new ATOM 0 HB2 SER A 82 -7.046 -10.123 -1.031 1.00 1.79 H new ATOM 0 HB3 SER A 82 -5.582 -11.085 -1.069 1.00 1.79 H new ATOM 0 HG SER A 82 -7.378 -12.255 -0.182 1.00 2.45 H new ATOM 1173 N THR A 83 -4.421 -10.271 2.464 1.00 1.47 N ATOM 1174 CA THR A 83 -3.273 -10.708 3.249 1.00 1.50 C ATOM 1175 C THR A 83 -2.999 -12.203 3.094 1.00 1.59 C ATOM 1176 O THR A 83 -2.154 -12.762 3.796 1.00 1.72 O ATOM 1177 CB THR A 83 -3.480 -10.378 4.736 1.00 1.65 C ATOM 1178 OG1 THR A 83 -4.749 -10.877 5.172 1.00 2.04 O ATOM 1179 CG2 THR A 83 -3.412 -8.880 4.976 1.00 1.68 C ATOM 0 H THR A 83 -5.246 -10.046 3.019 1.00 1.47 H new ATOM 0 HA THR A 83 -2.407 -10.167 2.867 1.00 1.50 H new ATOM 0 HB THR A 83 -2.682 -10.855 5.305 1.00 1.65 H new ATOM 0 HG1 THR A 83 -4.875 -10.666 6.121 1.00 2.04 H new ATOM 0 HG21 THR A 83 -3.562 -8.674 6.036 1.00 1.68 H new ATOM 0 HG22 THR A 83 -2.436 -8.506 4.668 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.190 -8.383 4.397 1.00 1.68 H new ATOM 1187 N SER A 84 -3.703 -12.840 2.171 1.00 1.68 N ATOM 1188 CA SER A 84 -3.507 -14.252 1.904 1.00 1.82 C ATOM 1189 C SER A 84 -2.524 -14.460 0.752 1.00 1.55 C ATOM 1190 O SER A 84 -2.129 -15.591 0.460 1.00 1.77 O ATOM 1191 CB SER A 84 -4.848 -14.915 1.600 1.00 2.22 C ATOM 1192 OG SER A 84 -5.744 -14.750 2.689 1.00 2.76 O ATOM 0 H SER A 84 -4.418 -12.397 1.593 1.00 1.68 H new ATOM 0 HA SER A 84 -3.079 -14.718 2.792 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.279 -14.480 0.698 1.00 2.22 H new ATOM 0 HB3 SER A 84 -4.699 -15.976 1.402 1.00 2.22 H new ATOM 0 HG SER A 84 -6.599 -15.179 2.477 1.00 2.76 H new ATOM 1198 N THR A 85 -2.130 -13.371 0.094 1.00 1.28 N ATOM 1199 CA THR A 85 -1.100 -13.447 -0.929 1.00 1.11 C ATOM 1200 C THR A 85 0.263 -13.494 -0.248 1.00 0.96 C ATOM 1201 O THR A 85 0.411 -13.032 0.887 1.00 1.52 O ATOM 1202 CB THR A 85 -1.173 -12.270 -1.937 1.00 1.30 C ATOM 1203 OG1 THR A 85 -0.390 -12.571 -3.101 1.00 2.05 O ATOM 1204 CG2 THR A 85 -0.680 -10.960 -1.336 1.00 0.91 C ATOM 0 H THR A 85 -2.507 -12.436 0.252 1.00 1.28 H new ATOM 0 HA THR A 85 -1.261 -14.354 -1.511 1.00 1.11 H new ATOM 0 HB THR A 85 -2.223 -12.146 -2.204 1.00 1.30 H new ATOM 0 HG1 THR A 85 -0.443 -11.824 -3.733 1.00 2.05 H new ATOM 0 HG21 THR A 85 -0.751 -10.168 -2.081 1.00 0.91 H new ATOM 0 HG22 THR A 85 -1.293 -10.702 -0.473 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.358 -11.071 -1.023 1.00 0.91 H new ATOM 1212 N ASN A 86 1.254 -14.061 -0.913 1.00 1.23 N ATOM 1213 CA ASN A 86 2.529 -14.318 -0.264 1.00 1.36 C ATOM 1214 C ASN A 86 3.476 -13.124 -0.366 1.00 1.10 C ATOM 1215 O ASN A 86 3.690 -12.568 -1.441 1.00 1.53 O ATOM 1216 CB ASN A 86 3.199 -15.576 -0.832 1.00 1.81 C ATOM 1217 CG ASN A 86 3.642 -15.433 -2.276 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.015 -14.737 -3.075 1.00 3.05 O ATOM 1219 ND2 ASN A 86 4.729 -16.099 -2.618 1.00 2.73 N ATOM 0 H ASN A 86 1.203 -14.350 -1.890 1.00 1.23 H new ATOM 0 HA ASN A 86 2.314 -14.484 0.792 1.00 1.36 H new ATOM 0 HB2 ASN A 86 4.065 -15.824 -0.219 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.504 -16.413 -0.756 1.00 1.81 H new ATOM 0 HD21 ASN A 86 5.078 -16.048 -3.575 1.00 2.73 H new ATOM 0 HD22 ASN A 86 5.220 -16.665 -1.925 1.00 2.73 H new ATOM 1226 N CYS A 87 4.035 -12.749 0.776 1.00 0.87 N ATOM 1227 CA CYS A 87 5.038 -11.691 0.854 1.00 0.72 C ATOM 1228 C CYS A 87 6.420 -12.278 0.598 1.00 0.83 C ATOM 1229 O CYS A 87 7.381 -11.560 0.323 1.00 1.10 O ATOM 1230 CB CYS A 87 4.975 -11.017 2.232 1.00 0.90 C ATOM 1231 SG CYS A 87 6.485 -10.122 2.742 1.00 1.71 S ATOM 0 H CYS A 87 3.807 -13.169 1.677 1.00 0.87 H new ATOM 0 HA CYS A 87 4.836 -10.936 0.094 1.00 0.72 H new ATOM 0 HB2 CYS A 87 4.140 -10.316 2.236 1.00 0.90 H new ATOM 0 HB3 CYS A 87 4.756 -11.779 2.980 1.00 0.90 H new ATOM 1236 N ASN A 88 6.485 -13.604 0.643 1.00 0.91 N ATOM 1237 CA ASN A 88 7.734 -14.350 0.484 1.00 1.09 C ATOM 1238 C ASN A 88 8.477 -13.991 -0.805 1.00 1.10 C ATOM 1239 O ASN A 88 9.694 -14.173 -0.898 1.00 1.24 O ATOM 1240 CB ASN A 88 7.438 -15.856 0.524 1.00 1.38 C ATOM 1241 CG ASN A 88 8.675 -16.715 0.328 1.00 2.04 C ATOM 1242 OD1 ASN A 88 9.437 -16.940 1.267 1.00 2.76 O ATOM 1243 ND2 ASN A 88 8.862 -17.230 -0.878 1.00 2.55 N ATOM 0 H ASN A 88 5.669 -14.198 0.792 1.00 0.91 H new ATOM 0 HA ASN A 88 8.389 -14.074 1.310 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.979 -16.104 1.481 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.710 -16.097 -0.250 1.00 1.38 H new ATOM 0 HD21 ASN A 88 9.662 -17.838 -1.054 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.206 -17.019 -1.630 1.00 2.55 H new ATOM 1250 N SER A 89 7.765 -13.469 -1.797 1.00 1.12 N ATOM 1251 CA SER A 89 8.391 -13.131 -3.061 1.00 1.29 C ATOM 1252 C SER A 89 7.697 -11.940 -3.704 1.00 1.42 C ATOM 1253 O SER A 89 8.358 -11.040 -4.226 1.00 2.21 O ATOM 1254 CB SER A 89 8.353 -14.341 -3.995 1.00 1.53 C ATOM 1255 OG SER A 89 7.031 -14.842 -4.132 1.00 2.11 O ATOM 0 H SER A 89 6.765 -13.274 -1.748 1.00 1.12 H new ATOM 0 HA SER A 89 9.430 -12.856 -2.877 1.00 1.29 H new ATOM 0 HB2 SER A 89 8.742 -14.061 -4.974 1.00 1.53 H new ATOM 0 HB3 SER A 89 9.003 -15.125 -3.606 1.00 1.53 H new ATOM 0 HG SER A 89 7.035 -15.614 -4.735 1.00 2.11 H new ATOM 1261 N ILE A 90 6.362 -11.958 -3.643 1.00 1.14 N ATOM 1262 CA ILE A 90 5.490 -10.933 -4.237 1.00 1.35 C ATOM 1263 C ILE A 90 5.866 -10.604 -5.679 1.00 1.76 C ATOM 1264 O ILE A 90 6.678 -11.284 -6.314 1.00 2.17 O ATOM 1265 CB ILE A 90 5.420 -9.607 -3.417 1.00 1.10 C ATOM 1266 CG1 ILE A 90 6.735 -8.823 -3.460 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.027 -9.892 -1.980 1.00 1.14 C ATOM 1268 CD1 ILE A 90 6.661 -7.472 -2.782 1.00 0.97 C ATOM 0 H ILE A 90 5.844 -12.699 -3.171 1.00 1.14 H new ATOM 0 HA ILE A 90 4.501 -11.392 -4.218 1.00 1.35 H new ATOM 0 HB ILE A 90 4.657 -8.984 -3.884 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.517 -9.416 -2.985 1.00 1.08 H new ATOM 0 HG13 ILE A 90 7.030 -8.682 -4.500 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.983 -8.956 -1.422 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.049 -10.373 -1.959 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.766 -10.551 -1.525 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.629 -6.976 -2.853 1.00 0.97 H new ATOM 0 HD12 ILE A 90 5.903 -6.860 -3.271 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.398 -7.605 -1.733 1.00 0.97 H new ATOM 1280 N ASN A 91 5.229 -9.570 -6.189 1.00 2.27 N ATOM 1281 CA ASN A 91 5.500 -9.058 -7.524 1.00 2.91 C ATOM 1282 C ASN A 91 4.791 -7.726 -7.720 1.00 3.60 C ATOM 1283 O ASN A 91 5.484 -6.711 -7.949 1.00 4.24 O ATOM 1284 CB ASN A 91 5.116 -10.063 -8.634 1.00 3.41 C ATOM 1285 CG ASN A 91 3.636 -10.438 -8.698 1.00 4.21 C ATOM 1286 OD1 ASN A 91 3.099 -10.675 -9.782 1.00 4.78 O ATOM 1287 ND2 ASN A 91 2.975 -10.542 -7.557 1.00 4.68 N ATOM 1288 OXT ASN A 91 3.554 -7.679 -7.580 1.00 3.95 O ATOM 0 H ASN A 91 4.504 -9.056 -5.689 1.00 2.27 H new ATOM 0 HA ASN A 91 6.576 -8.907 -7.608 1.00 2.91 H new ATOM 0 HB2 ASN A 91 5.409 -9.644 -9.597 1.00 3.41 H new ATOM 0 HB3 ASN A 91 5.698 -10.974 -8.493 1.00 3.41 H new ATOM 0 HD21 ASN A 91 1.995 -10.825 -7.559 1.00 4.68 H new ATOM 0 HD22 ASN A 91 3.445 -10.340 -6.675 1.00 4.68 H new TER 1295 ASN A 91