USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 57 GLN : amide:sc= 0.387 K(o=0.6,f=-0.54) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.214 K(o=0.6,f=-2.4!) USER MOD Set 2.1: A 44 MET CE :methyl -119:sc= -0.653 (180deg=-1.88) USER MOD Set 2.2: A 55 MET CE :methyl 160:sc= -0.0463 (180deg=-0.294) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.951 K(o=2.1,f=-1.3) USER MOD Set 3.2: A 31 GLN : amide:sc= 1.11 K(o=2.1,f=-0.79) USER MOD Single : A 17 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 1.29 (180deg=0.626) USER MOD Single : A 25 GLN : amide:sc= 0.768 K(o=0.77,f=-0.73) USER MOD Single : A 28 SER OG : rot -83:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.934 K(o=-0.93,f=-2.5!) USER MOD Single : A 38 THR OG1 : rot -150:sc= -1.18 USER MOD Single : A 41 SER OG : rot 180:sc= 0.049 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00687) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -92:sc= -2.35! USER MOD Single : A 51 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.14) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.134 K(o=0.13,f=-0.44) USER MOD Single : A 68 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 75 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.78) USER MOD Single : A 78 MET CE :methyl -106:sc= -1.97! (180deg=-2.49) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.3) USER MOD Single : A 90 GLN : amide:sc= 0.135 K(o=0.13,f=-3.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 8.230 13.539 1.314 1.00 10.00 N ATOM 14 CA HIS A 17 7.228 12.495 1.127 1.00 10.00 C ATOM 15 C HIS A 17 5.905 13.097 0.676 1.00 10.00 C ATOM 16 O HIS A 17 5.727 14.315 0.700 1.00 10.00 O ATOM 17 CB HIS A 17 7.008 11.718 2.429 1.00 10.00 C ATOM 18 CG HIS A 17 8.118 10.781 2.786 1.00 10.00 C ATOM 19 ND1 HIS A 17 9.280 11.232 3.365 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.181 9.435 2.652 1.00 10.00 C ATOM 21 CE1 HIS A 17 10.018 10.154 3.577 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.393 9.048 3.159 1.00 10.00 N ATOM 0 HA HIS A 17 7.596 11.814 0.359 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.874 12.429 3.244 1.00 10.00 H new ATOM 0 HB3 HIS A 17 6.082 11.149 2.346 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.424 8.792 2.228 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.999 10.166 4.029 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.752 8.095 3.209 1.00 10.00 H new ATOM 30 N ILE A 18 4.991 12.243 0.252 1.00 10.00 N ATOM 31 CA ILE A 18 3.675 12.675 -0.178 1.00 10.00 C ATOM 32 C ILE A 18 2.614 11.902 0.602 1.00 10.00 C ATOM 33 O ILE A 18 2.788 10.714 0.887 1.00 10.00 O ATOM 34 CB ILE A 18 3.477 12.491 -1.708 1.00 10.00 C ATOM 35 CG1 ILE A 18 2.223 13.230 -2.178 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.396 11.016 -2.084 1.00 10.00 C ATOM 37 CD1 ILE A 18 2.173 13.437 -3.677 1.00 10.00 C ATOM 0 H ILE A 18 5.140 11.235 0.196 1.00 10.00 H new ATOM 0 HA ILE A 18 3.577 13.741 0.027 1.00 10.00 H new ATOM 0 HB ILE A 18 4.346 12.917 -2.210 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.342 12.669 -1.867 1.00 10.00 H new ATOM 0 HG13 ILE A 18 2.175 14.200 -1.683 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.257 10.922 -3.161 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.319 10.515 -1.792 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.554 10.555 -1.568 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.258 13.967 -3.941 1.00 10.00 H new ATOM 0 HD12 ILE A 18 3.036 14.024 -3.992 1.00 10.00 H new ATOM 0 HD13 ILE A 18 2.190 12.469 -4.179 1.00 10.00 H new ATOM 49 N ASN A 19 1.538 12.574 0.979 1.00 10.00 N ATOM 50 CA ASN A 19 0.475 11.935 1.742 1.00 10.00 C ATOM 51 C ASN A 19 -0.764 11.716 0.886 1.00 10.00 C ATOM 52 O ASN A 19 -1.505 12.654 0.582 1.00 10.00 O ATOM 53 CB ASN A 19 0.120 12.762 2.981 1.00 10.00 C ATOM 54 CG ASN A 19 1.152 12.629 4.085 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.091 11.710 4.905 1.00 10.00 O ATOM 56 ND2 ASN A 19 2.106 13.546 4.123 1.00 10.00 N ATOM 0 H ASN A 19 1.377 13.559 0.770 1.00 10.00 H new ATOM 0 HA ASN A 19 0.843 10.961 2.065 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.028 13.811 2.699 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.853 12.446 3.358 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.823 13.507 4.848 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.124 14.292 3.428 1.00 10.00 H new ATOM 63 N LEU A 20 -0.971 10.473 0.492 1.00 10.00 N ATOM 64 CA LEU A 20 -2.118 10.100 -0.318 1.00 10.00 C ATOM 65 C LEU A 20 -3.190 9.489 0.577 1.00 10.00 C ATOM 66 O LEU A 20 -2.916 9.156 1.731 1.00 10.00 O ATOM 67 CB LEU A 20 -1.699 9.108 -1.403 1.00 10.00 C ATOM 68 CG LEU A 20 -0.487 9.527 -2.240 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.076 8.407 -3.183 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.790 10.796 -3.018 1.00 10.00 C ATOM 0 H LEU A 20 -0.352 9.696 0.723 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.521 10.988 -0.805 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.480 8.150 -0.931 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.544 8.948 -2.072 1.00 10.00 H new ATOM 0 HG LEU A 20 0.344 9.729 -1.564 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.787 8.723 -3.769 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.184 7.521 -2.604 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.904 8.173 -3.853 1.00 10.00 H new ATOM 0 HD21 LEU A 20 0.083 11.079 -3.607 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.636 10.622 -3.683 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.034 11.599 -2.323 1.00 10.00 H new ATOM 82 N LYS A 21 -4.403 9.343 0.064 1.00 10.00 N ATOM 83 CA LYS A 21 -5.485 8.782 0.864 1.00 10.00 C ATOM 84 C LYS A 21 -6.315 7.771 0.075 1.00 10.00 C ATOM 85 O LYS A 21 -6.620 7.972 -1.100 1.00 10.00 O ATOM 86 CB LYS A 21 -6.386 9.901 1.391 1.00 10.00 C ATOM 87 CG LYS A 21 -5.724 10.763 2.457 1.00 10.00 C ATOM 88 CD LYS A 21 -6.572 11.971 2.811 1.00 10.00 C ATOM 89 CE LYS A 21 -5.940 12.784 3.931 1.00 10.00 C ATOM 90 NZ LYS A 21 -6.760 13.970 4.284 1.00 10.00 N ATOM 0 H LYS A 21 -4.662 9.601 -0.888 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.031 8.254 1.703 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.688 10.536 0.558 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.294 9.462 1.803 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.551 10.165 3.352 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -4.748 11.095 2.102 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -6.698 12.600 1.930 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.566 11.643 3.114 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -5.815 12.154 4.811 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -4.945 13.108 3.627 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.467 14.330 5.214 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -6.625 14.711 3.567 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.764 13.700 4.318 1.00 10.00 H new ATOM 104 N VAL A 22 -6.650 6.670 0.726 1.00 10.00 N ATOM 105 CA VAL A 22 -7.466 5.628 0.124 1.00 10.00 C ATOM 106 C VAL A 22 -8.797 5.549 0.858 1.00 10.00 C ATOM 107 O VAL A 22 -8.828 5.486 2.089 1.00 10.00 O ATOM 108 CB VAL A 22 -6.768 4.245 0.168 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.735 3.129 -0.199 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.566 4.224 -0.760 1.00 10.00 C ATOM 0 H VAL A 22 -6.365 6.473 1.685 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.621 5.886 -0.924 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.427 4.077 1.189 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.217 2.171 -0.159 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.566 3.121 0.506 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -8.116 3.294 -1.207 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.089 3.245 -0.715 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.891 4.423 -1.781 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.854 4.989 -0.450 1.00 10.00 H new ATOM 120 N ALA A 23 -9.889 5.571 0.109 1.00 10.00 N ATOM 121 CA ALA A 23 -11.216 5.506 0.699 1.00 10.00 C ATOM 122 C ALA A 23 -11.857 4.150 0.443 1.00 10.00 C ATOM 123 O ALA A 23 -12.091 3.772 -0.708 1.00 10.00 O ATOM 124 CB ALA A 23 -12.093 6.620 0.150 1.00 10.00 C ATOM 0 H ALA A 23 -9.882 5.633 -0.909 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.118 5.637 1.777 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -13.084 6.559 0.601 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.646 7.585 0.387 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -12.179 6.516 -0.932 1.00 10.00 H new ATOM 130 N GLY A 24 -12.122 3.421 1.516 1.00 10.00 N ATOM 131 CA GLY A 24 -12.738 2.116 1.394 1.00 10.00 C ATOM 132 C GLY A 24 -14.226 2.214 1.131 1.00 10.00 C ATOM 133 O GLY A 24 -14.827 3.273 1.328 1.00 10.00 O ATOM 0 H GLY A 24 -11.921 3.711 2.473 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.262 1.565 0.583 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.568 1.548 2.309 1.00 10.00 H new ATOM 137 N GLN A 25 -14.828 1.105 0.713 1.00 10.00 N ATOM 138 CA GLN A 25 -16.261 1.062 0.416 1.00 10.00 C ATOM 139 C GLN A 25 -17.096 1.204 1.687 1.00 10.00 C ATOM 140 O GLN A 25 -18.313 1.389 1.625 1.00 10.00 O ATOM 141 CB GLN A 25 -16.622 -0.245 -0.295 1.00 10.00 C ATOM 142 CG GLN A 25 -16.021 -0.371 -1.683 1.00 10.00 C ATOM 143 CD GLN A 25 -16.628 0.600 -2.677 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.809 0.940 -2.599 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.822 1.051 -3.626 1.00 10.00 N ATOM 0 H GLN A 25 -14.345 0.218 0.571 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.487 1.903 -0.240 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.286 -1.084 0.314 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.707 -0.320 -0.370 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.946 -0.200 -1.625 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.163 -1.390 -2.044 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.849 0.745 -3.657 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -16.174 1.704 -4.326 1.00 10.00 H new ATOM 154 N ASP A 26 -16.439 1.106 2.833 1.00 10.00 N ATOM 155 CA ASP A 26 -17.117 1.219 4.120 1.00 10.00 C ATOM 156 C ASP A 26 -16.955 2.621 4.703 1.00 10.00 C ATOM 157 O ASP A 26 -17.652 2.991 5.648 1.00 10.00 O ATOM 158 CB ASP A 26 -16.573 0.184 5.106 1.00 10.00 C ATOM 159 CG ASP A 26 -15.225 0.581 5.666 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.260 0.671 4.880 1.00 10.00 O ATOM 161 OD2 ASP A 26 -15.131 0.821 6.886 1.00 10.00 O ATOM 0 H ASP A 26 -15.434 0.948 2.900 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.178 1.031 3.955 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -17.281 0.057 5.925 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.487 -0.781 4.606 1.00 10.00 H new ATOM 166 N GLY A 27 -16.029 3.395 4.145 1.00 10.00 N ATOM 167 CA GLY A 27 -15.809 4.747 4.623 1.00 10.00 C ATOM 168 C GLY A 27 -14.480 4.924 5.335 1.00 10.00 C ATOM 169 O GLY A 27 -14.096 6.049 5.667 1.00 10.00 O ATOM 0 H GLY A 27 -15.428 3.110 3.372 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.856 5.435 3.779 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.616 5.021 5.302 1.00 10.00 H new ATOM 173 N SER A 28 -13.776 3.822 5.580 1.00 10.00 N ATOM 174 CA SER A 28 -12.484 3.881 6.252 1.00 10.00 C ATOM 175 C SER A 28 -11.488 4.667 5.399 1.00 10.00 C ATOM 176 O SER A 28 -11.494 4.568 4.170 1.00 10.00 O ATOM 177 CB SER A 28 -11.958 2.467 6.521 1.00 10.00 C ATOM 178 OG SER A 28 -11.943 1.693 5.337 1.00 10.00 O ATOM 0 H SER A 28 -14.078 2.882 5.324 1.00 10.00 H new ATOM 0 HA SER A 28 -12.607 4.390 7.208 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.951 2.523 6.935 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.583 1.980 7.269 1.00 10.00 H new ATOM 0 HG SER A 28 -12.833 1.313 5.183 1.00 10.00 H new ATOM 184 N VAL A 29 -10.647 5.456 6.047 1.00 10.00 N ATOM 185 CA VAL A 29 -9.666 6.252 5.329 1.00 10.00 C ATOM 186 C VAL A 29 -8.248 5.788 5.648 1.00 10.00 C ATOM 187 O VAL A 29 -7.857 5.677 6.816 1.00 10.00 O ATOM 188 CB VAL A 29 -9.818 7.763 5.645 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.751 8.021 7.143 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.766 8.583 4.909 1.00 10.00 C ATOM 0 H VAL A 29 -10.623 5.562 7.061 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.850 6.109 4.264 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.801 8.077 5.294 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.860 9.089 7.334 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.554 7.479 7.642 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.790 7.680 7.528 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.895 9.639 5.148 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.772 8.260 5.217 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.878 8.438 3.834 1.00 10.00 H new ATOM 200 N VAL A 30 -7.490 5.489 4.606 1.00 10.00 N ATOM 201 CA VAL A 30 -6.118 5.044 4.768 1.00 10.00 C ATOM 202 C VAL A 30 -5.148 6.090 4.235 1.00 10.00 C ATOM 203 O VAL A 30 -5.222 6.483 3.071 1.00 10.00 O ATOM 204 CB VAL A 30 -5.862 3.692 4.069 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.427 3.237 4.287 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.837 2.641 4.575 1.00 10.00 C ATOM 0 H VAL A 30 -7.804 5.547 3.637 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.952 4.907 5.836 1.00 10.00 H new ATOM 0 HB VAL A 30 -6.019 3.824 2.998 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.268 2.282 3.786 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.743 3.980 3.877 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.240 3.122 5.355 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.644 1.693 4.072 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.710 2.514 5.650 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.858 2.961 4.366 1.00 10.00 H new ATOM 216 N GLN A 31 -4.255 6.542 5.101 1.00 10.00 N ATOM 217 CA GLN A 31 -3.257 7.536 4.746 1.00 10.00 C ATOM 218 C GLN A 31 -2.017 6.836 4.212 1.00 10.00 C ATOM 219 O GLN A 31 -1.386 6.052 4.922 1.00 10.00 O ATOM 220 CB GLN A 31 -2.904 8.382 5.970 1.00 10.00 C ATOM 221 CG GLN A 31 -2.224 9.699 5.636 1.00 10.00 C ATOM 222 CD GLN A 31 -1.949 10.535 6.871 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.665 10.450 7.868 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.914 11.352 6.814 1.00 10.00 N ATOM 0 H GLN A 31 -4.202 6.229 6.070 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.657 8.194 3.974 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.815 8.588 6.532 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.251 7.803 6.623 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.285 9.500 5.119 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.852 10.266 4.949 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.344 11.394 5.969 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.684 11.941 7.615 1.00 10.00 H new ATOM 233 N PHE A 32 -1.684 7.105 2.964 1.00 10.00 N ATOM 234 CA PHE A 32 -0.530 6.494 2.330 1.00 10.00 C ATOM 235 C PHE A 32 0.639 7.467 2.278 1.00 10.00 C ATOM 236 O PHE A 32 0.637 8.417 1.496 1.00 10.00 O ATOM 237 CB PHE A 32 -0.886 6.030 0.919 1.00 10.00 C ATOM 238 CG PHE A 32 -1.040 4.541 0.801 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.277 3.944 0.970 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.056 3.740 0.518 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.422 2.573 0.861 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.082 2.371 0.406 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.322 1.786 0.577 1.00 10.00 C ATOM 0 H PHE A 32 -2.201 7.748 2.364 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.233 5.630 2.925 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.815 6.509 0.611 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.111 6.363 0.229 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -3.139 4.556 1.190 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.028 4.192 0.384 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.392 2.119 0.997 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.779 1.758 0.185 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.431 0.715 0.489 1.00 10.00 H new ATOM 253 N LYS A 33 1.627 7.228 3.121 1.00 10.00 N ATOM 254 CA LYS A 33 2.811 8.067 3.171 1.00 10.00 C ATOM 255 C LYS A 33 3.928 7.405 2.378 1.00 10.00 C ATOM 256 O LYS A 33 4.591 6.487 2.859 1.00 10.00 O ATOM 257 CB LYS A 33 3.241 8.298 4.621 1.00 10.00 C ATOM 258 CG LYS A 33 4.536 9.081 4.758 1.00 10.00 C ATOM 259 CD LYS A 33 4.739 9.576 6.177 1.00 10.00 C ATOM 260 CE LYS A 33 6.200 9.521 6.580 1.00 10.00 C ATOM 261 NZ LYS A 33 6.440 10.231 7.861 1.00 10.00 N ATOM 0 H LYS A 33 1.632 6.454 3.785 1.00 10.00 H new ATOM 0 HA LYS A 33 2.586 9.038 2.729 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.448 8.831 5.145 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.357 7.333 5.114 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.376 8.450 4.468 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.523 9.929 4.074 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.375 10.600 6.262 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.148 8.970 6.863 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.513 8.481 6.675 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.812 9.967 5.796 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.449 10.173 8.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.164 11.229 7.762 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 5.875 9.789 8.614 1.00 10.00 H new ATOM 275 N ILE A 34 4.098 7.847 1.143 1.00 10.00 N ATOM 276 CA ILE A 34 5.113 7.287 0.260 1.00 10.00 C ATOM 277 C ILE A 34 5.868 8.414 -0.444 1.00 10.00 C ATOM 278 O ILE A 34 5.533 9.584 -0.270 1.00 10.00 O ATOM 279 CB ILE A 34 4.476 6.309 -0.779 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.207 7.001 -2.118 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.177 5.723 -0.238 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.465 6.135 -3.116 1.00 10.00 C ATOM 0 H ILE A 34 3.544 8.595 0.726 1.00 10.00 H new ATOM 0 HA ILE A 34 5.819 6.714 0.861 1.00 10.00 H new ATOM 0 HB ILE A 34 5.194 5.506 -0.947 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.630 7.908 -1.938 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.157 7.309 -2.554 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.749 5.045 -0.976 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.380 5.176 0.683 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.472 6.529 -0.033 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.311 6.694 -4.039 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.050 5.240 -3.327 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.499 5.848 -2.701 1.00 10.00 H new ATOM 294 N LYS A 35 6.900 8.073 -1.203 1.00 10.00 N ATOM 295 CA LYS A 35 7.671 9.077 -1.926 1.00 10.00 C ATOM 296 C LYS A 35 7.151 9.210 -3.355 1.00 10.00 C ATOM 297 O LYS A 35 6.513 8.298 -3.877 1.00 10.00 O ATOM 298 CB LYS A 35 9.157 8.714 -1.932 1.00 10.00 C ATOM 299 CG LYS A 35 9.897 9.153 -0.678 1.00 10.00 C ATOM 300 CD LYS A 35 10.967 8.147 -0.292 1.00 10.00 C ATOM 301 CE LYS A 35 11.846 8.667 0.833 1.00 10.00 C ATOM 302 NZ LYS A 35 12.619 7.579 1.482 1.00 10.00 N ATOM 0 H LYS A 35 7.222 7.114 -1.334 1.00 10.00 H new ATOM 0 HA LYS A 35 7.555 10.035 -1.419 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.258 7.634 -2.044 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.630 9.170 -2.801 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.354 10.128 -0.845 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.190 9.269 0.143 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.495 7.214 0.016 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.584 7.920 -1.161 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.534 9.416 0.439 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.225 9.165 1.578 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.205 7.976 2.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.963 6.877 1.880 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.231 7.120 0.777 1.00 10.00 H new ATOM 316 N ARG A 36 7.449 10.334 -3.989 1.00 10.00 N ATOM 317 CA ARG A 36 6.992 10.600 -5.352 1.00 10.00 C ATOM 318 C ARG A 36 7.625 9.635 -6.353 1.00 10.00 C ATOM 319 O ARG A 36 7.078 9.399 -7.431 1.00 10.00 O ATOM 320 CB ARG A 36 7.307 12.046 -5.745 1.00 10.00 C ATOM 321 CG ARG A 36 6.698 13.077 -4.805 1.00 10.00 C ATOM 322 CD ARG A 36 7.129 14.490 -5.166 1.00 10.00 C ATOM 323 NE ARG A 36 6.366 15.039 -6.290 1.00 10.00 N ATOM 324 CZ ARG A 36 5.252 15.764 -6.151 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.772 16.034 -4.940 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.625 16.223 -7.225 1.00 10.00 N ATOM 0 H ARG A 36 8.009 11.083 -3.582 1.00 10.00 H new ATOM 0 HA ARG A 36 5.913 10.449 -5.376 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.388 12.181 -5.768 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.942 12.227 -6.756 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.611 13.007 -4.843 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.996 12.856 -3.780 1.00 10.00 H new ATOM 0 HD2 ARG A 36 7.007 15.137 -4.297 1.00 10.00 H new ATOM 0 HD3 ARG A 36 8.190 14.490 -5.416 1.00 10.00 H new ATOM 0 HE ARG A 36 6.705 14.857 -7.235 1.00 10.00 H new ATOM 0 HH11 ARG A 36 5.255 15.687 -4.111 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.921 16.588 -4.840 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.993 16.023 -8.155 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.775 16.777 -7.121 1.00 10.00 H new ATOM 340 N HIS A 37 8.773 9.074 -5.989 1.00 10.00 N ATOM 341 CA HIS A 37 9.473 8.135 -6.860 1.00 10.00 C ATOM 342 C HIS A 37 9.112 6.693 -6.525 1.00 10.00 C ATOM 343 O HIS A 37 9.587 5.756 -7.170 1.00 10.00 O ATOM 344 CB HIS A 37 10.990 8.331 -6.756 1.00 10.00 C ATOM 345 CG HIS A 37 11.569 8.075 -5.390 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.821 6.798 -4.936 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.956 8.962 -4.443 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.356 6.940 -3.734 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.459 8.230 -3.398 1.00 10.00 N ATOM 0 H HIS A 37 9.238 9.252 -5.099 1.00 10.00 H new ATOM 0 HA HIS A 37 9.157 8.338 -7.883 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.477 7.669 -7.471 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.231 9.352 -7.052 1.00 10.00 H new ATOM 0 HD1 HIS A 37 11.634 5.923 -5.426 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.883 10.038 -4.500 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.669 6.120 -3.105 1.00 10.00 H new ATOM 357 N THR A 38 8.269 6.520 -5.521 1.00 10.00 N ATOM 358 CA THR A 38 7.858 5.195 -5.096 1.00 10.00 C ATOM 359 C THR A 38 6.791 4.625 -6.030 1.00 10.00 C ATOM 360 O THR A 38 5.748 5.244 -6.236 1.00 10.00 O ATOM 361 CB THR A 38 7.324 5.235 -3.655 1.00 10.00 C ATOM 362 OG1 THR A 38 8.316 5.806 -2.794 1.00 10.00 O ATOM 363 CG2 THR A 38 6.967 3.844 -3.162 1.00 10.00 C ATOM 0 H THR A 38 7.856 7.283 -4.985 1.00 10.00 H new ATOM 0 HA THR A 38 8.732 4.545 -5.134 1.00 10.00 H new ATOM 0 HB THR A 38 6.421 5.845 -3.642 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.226 5.427 -1.895 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.592 3.905 -2.140 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.198 3.416 -3.805 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.854 3.211 -3.186 1.00 10.00 H new ATOM 371 N PRO A 39 7.059 3.449 -6.625 1.00 10.00 N ATOM 372 CA PRO A 39 6.117 2.784 -7.535 1.00 10.00 C ATOM 373 C PRO A 39 4.739 2.590 -6.908 1.00 10.00 C ATOM 374 O PRO A 39 4.621 2.175 -5.753 1.00 10.00 O ATOM 375 CB PRO A 39 6.777 1.429 -7.802 1.00 10.00 C ATOM 376 CG PRO A 39 8.225 1.655 -7.559 1.00 10.00 C ATOM 377 CD PRO A 39 8.309 2.682 -6.470 1.00 10.00 C ATOM 0 HA PRO A 39 5.939 3.372 -8.435 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.381 0.659 -7.140 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.595 1.095 -8.824 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.719 0.730 -7.261 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.722 2.005 -8.464 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.377 2.219 -5.486 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.187 3.318 -6.584 1.00 10.00 H new ATOM 385 N LEU A 40 3.699 2.877 -7.681 1.00 10.00 N ATOM 386 CA LEU A 40 2.330 2.746 -7.200 1.00 10.00 C ATOM 387 C LEU A 40 1.921 1.280 -7.098 1.00 10.00 C ATOM 388 O LEU A 40 0.870 0.955 -6.548 1.00 10.00 O ATOM 389 CB LEU A 40 1.368 3.503 -8.118 1.00 10.00 C ATOM 390 CG LEU A 40 1.522 5.021 -8.094 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.601 5.663 -9.115 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.240 5.566 -6.702 1.00 10.00 C ATOM 0 H LEU A 40 3.778 3.202 -8.645 1.00 10.00 H new ATOM 0 HA LEU A 40 2.281 3.181 -6.202 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.513 3.153 -9.140 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.346 3.251 -7.837 1.00 10.00 H new ATOM 0 HG LEU A 40 2.551 5.267 -8.355 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.723 6.746 -9.085 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.851 5.297 -10.111 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.433 5.408 -8.883 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.355 6.650 -6.705 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.221 5.310 -6.411 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.941 5.129 -5.991 1.00 10.00 H new ATOM 404 N SER A 41 2.755 0.397 -7.630 1.00 10.00 N ATOM 405 CA SER A 41 2.487 -1.030 -7.581 1.00 10.00 C ATOM 406 C SER A 41 2.451 -1.514 -6.132 1.00 10.00 C ATOM 407 O SER A 41 1.656 -2.386 -5.775 1.00 10.00 O ATOM 408 CB SER A 41 3.556 -1.785 -8.370 1.00 10.00 C ATOM 409 OG SER A 41 4.821 -1.165 -8.219 1.00 10.00 O ATOM 0 H SER A 41 3.624 0.647 -8.101 1.00 10.00 H new ATOM 0 HA SER A 41 1.514 -1.224 -8.031 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.608 -2.818 -8.025 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.283 -1.815 -9.425 1.00 10.00 H new ATOM 0 HG SER A 41 5.493 -1.663 -8.730 1.00 10.00 H new ATOM 415 N LYS A 42 3.307 -0.927 -5.294 1.00 10.00 N ATOM 416 CA LYS A 42 3.359 -1.303 -3.886 1.00 10.00 C ATOM 417 C LYS A 42 2.094 -0.847 -3.173 1.00 10.00 C ATOM 418 O LYS A 42 1.651 -1.482 -2.229 1.00 10.00 O ATOM 419 CB LYS A 42 4.576 -0.705 -3.164 1.00 10.00 C ATOM 420 CG LYS A 42 5.738 -0.312 -4.061 1.00 10.00 C ATOM 421 CD LYS A 42 6.848 0.374 -3.262 1.00 10.00 C ATOM 422 CE LYS A 42 7.679 -0.625 -2.468 1.00 10.00 C ATOM 423 NZ LYS A 42 8.627 -1.383 -3.330 1.00 10.00 N ATOM 0 H LYS A 42 3.966 -0.197 -5.565 1.00 10.00 H new ATOM 0 HA LYS A 42 3.445 -2.389 -3.855 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.252 0.176 -2.611 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.933 -1.428 -2.431 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.136 -1.199 -4.554 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.385 0.357 -4.846 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.497 0.926 -3.942 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.408 1.102 -2.581 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.237 -0.097 -1.695 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.015 -1.324 -1.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.217 -2.001 -2.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.092 -1.962 -4.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.235 -0.716 -3.847 1.00 10.00 H new ATOM 437 N LEU A 43 1.515 0.252 -3.650 1.00 10.00 N ATOM 438 CA LEU A 43 0.302 0.813 -3.057 1.00 10.00 C ATOM 439 C LEU A 43 -0.844 -0.194 -3.106 1.00 10.00 C ATOM 440 O LEU A 43 -1.501 -0.448 -2.094 1.00 10.00 O ATOM 441 CB LEU A 43 -0.086 2.105 -3.785 1.00 10.00 C ATOM 442 CG LEU A 43 -1.029 3.038 -3.022 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.652 4.488 -3.272 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.475 2.790 -3.429 1.00 10.00 C ATOM 0 H LEU A 43 1.869 0.775 -4.451 1.00 10.00 H new ATOM 0 HA LEU A 43 0.502 1.043 -2.010 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.825 2.654 -4.023 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.555 1.840 -4.733 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.931 2.830 -1.957 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.331 5.140 -2.723 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.370 4.662 -2.935 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.724 4.704 -4.338 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.129 3.463 -2.875 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.588 2.971 -4.498 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.744 1.758 -3.206 1.00 10.00 H new ATOM 456 N MET A 44 -1.069 -0.774 -4.280 1.00 10.00 N ATOM 457 CA MET A 44 -2.136 -1.751 -4.460 1.00 10.00 C ATOM 458 C MET A 44 -1.907 -2.983 -3.590 1.00 10.00 C ATOM 459 O MET A 44 -2.826 -3.475 -2.939 1.00 10.00 O ATOM 460 CB MET A 44 -2.242 -2.179 -5.929 1.00 10.00 C ATOM 461 CG MET A 44 -2.699 -1.073 -6.865 1.00 10.00 C ATOM 462 SD MET A 44 -3.419 -1.701 -8.397 1.00 10.00 S ATOM 463 CE MET A 44 -1.994 -2.486 -9.143 1.00 10.00 C ATOM 0 H MET A 44 -0.526 -0.584 -5.122 1.00 10.00 H new ATOM 0 HA MET A 44 -3.068 -1.274 -4.157 1.00 10.00 H new ATOM 0 HB2 MET A 44 -1.270 -2.543 -6.261 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.938 -3.014 -6.004 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.433 -0.451 -6.353 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.850 -0.433 -7.104 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.775 -2.010 -10.099 1.00 10.00 H new ATOM 0 HE2 MET A 44 -1.134 -2.384 -8.481 1.00 10.00 H new ATOM 0 HE3 MET A 44 -2.204 -3.543 -9.304 1.00 10.00 H new ATOM 473 N LYS A 45 -0.667 -3.458 -3.568 1.00 10.00 N ATOM 474 CA LYS A 45 -0.313 -4.645 -2.799 1.00 10.00 C ATOM 475 C LYS A 45 -0.320 -4.390 -1.294 1.00 10.00 C ATOM 476 O LYS A 45 -0.839 -5.203 -0.539 1.00 10.00 O ATOM 477 CB LYS A 45 1.053 -5.173 -3.237 1.00 10.00 C ATOM 478 CG LYS A 45 0.996 -5.982 -4.524 1.00 10.00 C ATOM 479 CD LYS A 45 2.376 -6.423 -4.984 1.00 10.00 C ATOM 480 CE LYS A 45 3.155 -5.275 -5.607 1.00 10.00 C ATOM 481 NZ LYS A 45 4.193 -5.762 -6.553 1.00 10.00 N ATOM 0 H LYS A 45 0.112 -3.038 -4.075 1.00 10.00 H new ATOM 0 HA LYS A 45 -1.076 -5.396 -3.002 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.734 -4.333 -3.373 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.467 -5.794 -2.443 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.367 -6.859 -4.373 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.527 -5.385 -5.306 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.932 -6.822 -4.136 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.277 -7.231 -5.709 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.467 -4.612 -6.132 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.627 -4.687 -4.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 4.703 -4.950 -6.957 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.864 -6.375 -6.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 3.740 -6.302 -7.318 1.00 10.00 H new ATOM 495 N ALA A 46 0.238 -3.262 -0.863 1.00 10.00 N ATOM 496 CA ALA A 46 0.305 -2.926 0.562 1.00 10.00 C ATOM 497 C ALA A 46 -1.071 -2.972 1.221 1.00 10.00 C ATOM 498 O ALA A 46 -1.244 -3.574 2.281 1.00 10.00 O ATOM 499 CB ALA A 46 0.936 -1.554 0.761 1.00 10.00 C ATOM 0 H ALA A 46 0.652 -2.562 -1.479 1.00 10.00 H new ATOM 0 HA ALA A 46 0.930 -3.678 1.043 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.977 -1.323 1.825 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.946 -1.555 0.351 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.338 -0.801 0.249 1.00 10.00 H new ATOM 505 N TYR A 47 -2.052 -2.348 0.584 1.00 10.00 N ATOM 506 CA TYR A 47 -3.401 -2.328 1.128 1.00 10.00 C ATOM 507 C TYR A 47 -4.073 -3.689 0.961 1.00 10.00 C ATOM 508 O TYR A 47 -4.843 -4.122 1.819 1.00 10.00 O ATOM 509 CB TYR A 47 -4.239 -1.237 0.458 1.00 10.00 C ATOM 510 CG TYR A 47 -5.605 -1.057 1.084 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.759 -1.112 0.313 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.738 -0.841 2.450 1.00 10.00 C ATOM 513 CE1 TYR A 47 -8.007 -0.954 0.888 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.981 -0.683 3.029 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.112 -0.740 2.247 1.00 10.00 C ATOM 516 OH TYR A 47 -9.351 -0.585 2.826 1.00 10.00 O ATOM 0 H TYR A 47 -1.941 -1.854 -0.301 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.331 -2.106 2.193 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.698 -0.292 0.507 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.361 -1.480 -0.598 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.681 -1.281 -0.751 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.854 -0.796 3.069 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.896 -0.998 0.276 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.066 -0.515 4.093 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.246 -0.444 3.790 1.00 10.00 H new ATOM 526 N CYS A 48 -3.758 -4.372 -0.130 1.00 10.00 N ATOM 527 CA CYS A 48 -4.337 -5.679 -0.403 1.00 10.00 C ATOM 528 C CYS A 48 -3.853 -6.714 0.609 1.00 10.00 C ATOM 529 O CYS A 48 -4.626 -7.556 1.070 1.00 10.00 O ATOM 530 CB CYS A 48 -3.988 -6.126 -1.820 1.00 10.00 C ATOM 531 SG CYS A 48 -5.205 -7.233 -2.555 1.00 10.00 S ATOM 0 H CYS A 48 -3.105 -4.043 -0.841 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.420 -5.595 -0.314 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.883 -5.245 -2.453 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -3.019 -6.625 -1.805 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.869 -8.466 -2.317 1.00 10.00 H new ATOM 537 N GLU A 49 -2.574 -6.638 0.959 1.00 10.00 N ATOM 538 CA GLU A 49 -1.984 -7.558 1.926 1.00 10.00 C ATOM 539 C GLU A 49 -2.633 -7.385 3.291 1.00 10.00 C ATOM 540 O GLU A 49 -2.781 -8.345 4.046 1.00 10.00 O ATOM 541 CB GLU A 49 -0.476 -7.330 2.035 1.00 10.00 C ATOM 542 CG GLU A 49 0.296 -7.780 0.806 1.00 10.00 C ATOM 543 CD GLU A 49 0.283 -9.285 0.628 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.843 -9.996 1.491 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.278 -9.761 -0.381 1.00 10.00 O ATOM 0 H GLU A 49 -1.923 -5.946 0.586 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.161 -8.576 1.578 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.288 -6.270 2.204 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.098 -7.864 2.907 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.132 -7.309 -0.079 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.327 -7.436 0.883 1.00 10.00 H new ATOM 552 N ARG A 50 -3.030 -6.154 3.597 1.00 10.00 N ATOM 553 CA ARG A 50 -3.674 -5.858 4.871 1.00 10.00 C ATOM 554 C ARG A 50 -5.065 -6.479 4.928 1.00 10.00 C ATOM 555 O ARG A 50 -5.577 -6.781 6.007 1.00 10.00 O ATOM 556 CB ARG A 50 -3.763 -4.347 5.099 1.00 10.00 C ATOM 557 CG ARG A 50 -2.444 -3.717 5.508 1.00 10.00 C ATOM 558 CD ARG A 50 -2.655 -2.397 6.230 1.00 10.00 C ATOM 559 NE ARG A 50 -1.402 -1.861 6.761 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.327 -0.846 7.622 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.431 -0.241 8.048 1.00 10.00 N ATOM 562 NH2 ARG A 50 -0.146 -0.424 8.045 1.00 10.00 N ATOM 0 H ARG A 50 -2.917 -5.348 2.982 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.064 -6.292 5.663 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -4.116 -3.870 4.185 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.507 -4.147 5.871 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.898 -4.403 6.155 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.828 -3.554 4.624 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.098 -1.675 5.544 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.364 -2.538 7.046 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.530 -2.291 6.453 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.344 -0.553 7.716 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.366 0.535 8.707 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.706 -0.875 7.712 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -0.088 0.353 8.704 1.00 10.00 H new ATOM 576 N GLN A 51 -5.666 -6.675 3.760 1.00 10.00 N ATOM 577 CA GLN A 51 -6.993 -7.267 3.680 1.00 10.00 C ATOM 578 C GLN A 51 -6.888 -8.781 3.516 1.00 10.00 C ATOM 579 O GLN A 51 -7.864 -9.509 3.698 1.00 10.00 O ATOM 580 CB GLN A 51 -7.781 -6.662 2.513 1.00 10.00 C ATOM 581 CG GLN A 51 -7.915 -5.145 2.571 1.00 10.00 C ATOM 582 CD GLN A 51 -8.391 -4.643 3.922 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.590 -4.296 4.788 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.700 -4.606 4.112 1.00 10.00 N ATOM 0 H GLN A 51 -5.255 -6.433 2.858 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.524 -7.050 4.607 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.293 -6.937 1.578 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.777 -7.103 2.494 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.951 -4.692 2.340 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.614 -4.818 1.801 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.332 -4.903 3.368 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.077 -4.281 5.002 1.00 10.00 H new ATOM 593 N GLY A 52 -5.692 -9.244 3.175 1.00 10.00 N ATOM 594 CA GLY A 52 -5.462 -10.665 2.993 1.00 10.00 C ATOM 595 C GLY A 52 -6.168 -11.214 1.772 1.00 10.00 C ATOM 596 O GLY A 52 -6.680 -12.334 1.794 1.00 10.00 O ATOM 0 H GLY A 52 -4.872 -8.657 3.020 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.391 -10.848 2.903 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -5.803 -11.202 3.878 1.00 10.00 H new ATOM 600 N LEU A 53 -6.190 -10.435 0.702 1.00 10.00 N ATOM 601 CA LEU A 53 -6.846 -10.849 -0.529 1.00 10.00 C ATOM 602 C LEU A 53 -5.913 -10.675 -1.720 1.00 10.00 C ATOM 603 O LEU A 53 -4.884 -10.006 -1.620 1.00 10.00 O ATOM 604 CB LEU A 53 -8.125 -10.037 -0.748 1.00 10.00 C ATOM 605 CG LEU A 53 -9.237 -10.277 0.274 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.348 -9.252 0.100 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.791 -11.687 0.140 1.00 10.00 C ATOM 0 H LEU A 53 -5.760 -9.511 0.661 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.105 -11.904 -0.439 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.869 -8.978 -0.739 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.513 -10.263 -1.741 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.816 -10.166 1.273 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.132 -9.437 0.835 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.944 -8.250 0.244 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.765 -9.334 -0.904 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.581 -11.839 0.875 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.197 -11.825 -0.862 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -8.993 -12.409 0.311 1.00 10.00 H new ATOM 619 N SER A 54 -6.271 -11.282 -2.843 1.00 10.00 N ATOM 620 CA SER A 54 -5.469 -11.181 -4.049 1.00 10.00 C ATOM 621 C SER A 54 -5.634 -9.803 -4.684 1.00 10.00 C ATOM 622 O SER A 54 -6.738 -9.254 -4.728 1.00 10.00 O ATOM 623 CB SER A 54 -5.866 -12.271 -5.048 1.00 10.00 C ATOM 624 OG SER A 54 -5.087 -12.186 -6.228 1.00 10.00 O ATOM 0 H SER A 54 -7.113 -11.850 -2.942 1.00 10.00 H new ATOM 0 HA SER A 54 -4.422 -11.319 -3.778 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.736 -13.252 -4.592 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.923 -12.173 -5.298 1.00 10.00 H new ATOM 0 HG SER A 54 -5.357 -12.893 -6.850 1.00 10.00 H new ATOM 630 N MET A 55 -4.531 -9.249 -5.174 1.00 10.00 N ATOM 631 CA MET A 55 -4.540 -7.932 -5.805 1.00 10.00 C ATOM 632 C MET A 55 -5.301 -7.968 -7.127 1.00 10.00 C ATOM 633 O MET A 55 -5.823 -6.953 -7.585 1.00 10.00 O ATOM 634 CB MET A 55 -3.106 -7.459 -6.045 1.00 10.00 C ATOM 635 CG MET A 55 -3.002 -5.990 -6.419 1.00 10.00 C ATOM 636 SD MET A 55 -1.531 -5.626 -7.394 1.00 10.00 S ATOM 637 CE MET A 55 -1.991 -6.351 -8.970 1.00 10.00 C ATOM 0 H MET A 55 -3.613 -9.694 -5.147 1.00 10.00 H new ATOM 0 HA MET A 55 -5.044 -7.235 -5.136 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.518 -7.638 -5.145 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.663 -8.059 -6.840 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.888 -5.699 -6.983 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.990 -5.388 -5.511 1.00 10.00 H new ATOM 0 HE1 MET A 55 -1.377 -5.921 -9.761 1.00 10.00 H new ATOM 0 HE2 MET A 55 -1.833 -7.429 -8.934 1.00 10.00 H new ATOM 0 HE3 MET A 55 -3.042 -6.144 -9.173 1.00 10.00 H new ATOM 647 N ARG A 56 -5.386 -9.152 -7.716 1.00 10.00 N ATOM 648 CA ARG A 56 -6.070 -9.335 -8.992 1.00 10.00 C ATOM 649 C ARG A 56 -7.588 -9.291 -8.816 1.00 10.00 C ATOM 650 O ARG A 56 -8.336 -9.168 -9.788 1.00 10.00 O ATOM 651 CB ARG A 56 -5.651 -10.674 -9.605 1.00 10.00 C ATOM 652 CG ARG A 56 -5.781 -10.725 -11.114 1.00 10.00 C ATOM 653 CD ARG A 56 -5.179 -11.998 -11.683 1.00 10.00 C ATOM 654 NE ARG A 56 -5.422 -12.121 -13.122 1.00 10.00 N ATOM 655 CZ ARG A 56 -4.974 -13.126 -13.874 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.255 -14.102 -13.334 1.00 10.00 N ATOM 657 NH2 ARG A 56 -5.254 -13.156 -15.171 1.00 10.00 N ATOM 0 H ARG A 56 -4.987 -10.007 -7.329 1.00 10.00 H new ATOM 0 HA ARG A 56 -5.787 -8.520 -9.658 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.616 -10.880 -9.332 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.259 -11.468 -9.171 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -6.833 -10.663 -11.392 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -5.285 -9.859 -11.552 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.106 -12.008 -11.494 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -5.601 -12.861 -11.168 1.00 10.00 H new ATOM 0 HE ARG A 56 -5.969 -11.391 -13.578 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.042 -14.086 -12.337 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -3.916 -14.868 -13.916 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -5.811 -12.411 -15.590 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -4.912 -13.924 -15.749 1.00 10.00 H new ATOM 671 N GLN A 57 -8.029 -9.359 -7.566 1.00 10.00 N ATOM 672 CA GLN A 57 -9.451 -9.361 -7.248 1.00 10.00 C ATOM 673 C GLN A 57 -10.017 -7.940 -7.124 1.00 10.00 C ATOM 674 O GLN A 57 -11.233 -7.748 -7.112 1.00 10.00 O ATOM 675 CB GLN A 57 -9.676 -10.135 -5.948 1.00 10.00 C ATOM 676 CG GLN A 57 -11.137 -10.328 -5.587 1.00 10.00 C ATOM 677 CD GLN A 57 -11.325 -11.011 -4.245 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.516 -11.845 -3.839 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.397 -10.664 -3.551 1.00 10.00 N ATOM 0 H GLN A 57 -7.418 -9.414 -6.751 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.980 -9.846 -8.068 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.202 -11.113 -6.033 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.178 -9.609 -5.134 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.633 -9.358 -5.569 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.623 -10.920 -6.362 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.043 -9.968 -3.924 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.577 -11.092 -2.643 1.00 10.00 H new ATOM 688 N ILE A 58 -9.148 -6.943 -7.044 1.00 10.00 N ATOM 689 CA ILE A 58 -9.604 -5.563 -6.916 1.00 10.00 C ATOM 690 C ILE A 58 -9.111 -4.699 -8.066 1.00 10.00 C ATOM 691 O ILE A 58 -8.313 -5.140 -8.897 1.00 10.00 O ATOM 692 CB ILE A 58 -9.166 -4.919 -5.582 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.775 -5.406 -5.173 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.188 -5.214 -4.495 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.312 -4.862 -3.838 1.00 10.00 C ATOM 0 H ILE A 58 -8.135 -7.059 -7.065 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.693 -5.609 -6.939 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.112 -3.839 -5.720 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.778 -6.495 -5.131 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.058 -5.119 -5.942 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.868 -4.755 -3.560 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.156 -4.807 -4.786 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -10.274 -6.292 -4.359 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.318 -5.249 -3.612 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.276 -3.773 -3.881 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -8.008 -5.171 -3.058 1.00 10.00 H new ATOM 707 N ARG A 59 -9.620 -3.475 -8.117 1.00 10.00 N ATOM 708 CA ARG A 59 -9.250 -2.510 -9.141 1.00 10.00 C ATOM 709 C ARG A 59 -9.078 -1.135 -8.517 1.00 10.00 C ATOM 710 O ARG A 59 -9.963 -0.653 -7.806 1.00 10.00 O ATOM 711 CB ARG A 59 -10.313 -2.440 -10.240 1.00 10.00 C ATOM 712 CG ARG A 59 -10.301 -3.628 -11.189 1.00 10.00 C ATOM 713 CD ARG A 59 -8.912 -3.874 -11.752 1.00 10.00 C ATOM 714 NE ARG A 59 -8.928 -4.857 -12.827 1.00 10.00 N ATOM 715 CZ ARG A 59 -8.804 -6.170 -12.635 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.650 -6.660 -11.408 1.00 10.00 N ATOM 717 NH2 ARG A 59 -8.834 -6.991 -13.673 1.00 10.00 N ATOM 0 H ARG A 59 -10.303 -3.123 -7.446 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.309 -2.833 -9.587 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.297 -2.369 -9.776 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.166 -1.526 -10.816 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.645 -4.519 -10.663 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.000 -3.450 -12.006 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.500 -2.936 -12.124 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.253 -4.218 -10.955 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.041 -4.520 -13.783 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.626 -6.030 -10.606 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.556 -7.666 -11.269 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -8.952 -6.618 -14.615 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -8.739 -7.997 -13.531 1.00 10.00 H new ATOM 731 N PHE A 60 -7.944 -0.512 -8.776 1.00 10.00 N ATOM 732 CA PHE A 60 -7.668 0.810 -8.243 1.00 10.00 C ATOM 733 C PHE A 60 -7.879 1.854 -9.327 1.00 10.00 C ATOM 734 O PHE A 60 -7.383 1.705 -10.448 1.00 10.00 O ATOM 735 CB PHE A 60 -6.237 0.893 -7.709 1.00 10.00 C ATOM 736 CG PHE A 60 -6.046 0.259 -6.359 1.00 10.00 C ATOM 737 CD1 PHE A 60 -6.190 -1.109 -6.191 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.718 1.033 -5.258 1.00 10.00 C ATOM 739 CE1 PHE A 60 -6.008 -1.691 -4.953 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.535 0.456 -4.016 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.682 -0.909 -3.863 1.00 10.00 C ATOM 0 H PHE A 60 -7.198 -0.900 -9.353 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.353 1.001 -7.417 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.567 0.413 -8.422 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.943 1.941 -7.651 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -6.448 -1.727 -7.039 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.604 2.101 -5.372 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -6.121 -2.759 -4.837 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.278 1.071 -3.166 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.542 -1.363 -2.893 1.00 10.00 H new ATOM 751 N ARG A 61 -8.634 2.893 -9.006 1.00 10.00 N ATOM 752 CA ARG A 61 -8.907 3.952 -9.963 1.00 10.00 C ATOM 753 C ARG A 61 -8.563 5.317 -9.384 1.00 10.00 C ATOM 754 O ARG A 61 -8.865 5.615 -8.228 1.00 10.00 O ATOM 755 CB ARG A 61 -10.375 3.921 -10.403 1.00 10.00 C ATOM 756 CG ARG A 61 -10.665 2.893 -11.483 1.00 10.00 C ATOM 757 CD ARG A 61 -12.050 3.076 -12.074 1.00 10.00 C ATOM 758 NE ARG A 61 -12.247 2.257 -13.270 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.229 2.444 -14.151 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.118 3.411 -13.969 1.00 10.00 N ATOM 761 NH2 ARG A 61 -13.320 1.657 -15.216 1.00 10.00 N ATOM 0 H ARG A 61 -9.067 3.025 -8.092 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.276 3.781 -10.835 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -11.001 3.711 -9.536 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.657 4.909 -10.768 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.918 2.975 -12.273 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.578 1.890 -11.064 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.800 2.815 -11.328 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.202 4.126 -12.324 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.591 1.495 -13.440 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.052 4.017 -13.151 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -14.867 3.549 -14.647 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -12.639 0.911 -15.359 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -14.071 1.798 -15.892 1.00 10.00 H new ATOM 775 N PHE A 62 -7.912 6.133 -10.197 1.00 10.00 N ATOM 776 CA PHE A 62 -7.528 7.476 -9.805 1.00 10.00 C ATOM 777 C PHE A 62 -7.927 8.448 -10.905 1.00 10.00 C ATOM 778 O PHE A 62 -7.614 8.224 -12.078 1.00 10.00 O ATOM 779 CB PHE A 62 -6.023 7.560 -9.546 1.00 10.00 C ATOM 780 CG PHE A 62 -5.575 8.916 -9.084 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.960 9.402 -7.844 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.780 9.711 -9.895 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.559 10.651 -7.423 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.377 10.963 -9.476 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.768 11.433 -8.239 1.00 10.00 C ATOM 0 H PHE A 62 -7.636 5.882 -11.146 1.00 10.00 H new ATOM 0 HA PHE A 62 -8.041 7.736 -8.879 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.749 6.819 -8.795 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.489 7.300 -10.460 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.581 8.795 -7.201 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.473 9.347 -10.864 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.864 11.018 -6.454 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.757 11.574 -10.115 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.455 12.413 -7.910 1.00 10.00 H new ATOM 795 N ASP A 63 -8.642 9.507 -10.522 1.00 10.00 N ATOM 796 CA ASP A 63 -9.114 10.522 -11.470 1.00 10.00 C ATOM 797 C ASP A 63 -10.092 9.891 -12.459 1.00 10.00 C ATOM 798 O ASP A 63 -10.316 10.395 -13.560 1.00 10.00 O ATOM 799 CB ASP A 63 -7.934 11.178 -12.211 1.00 10.00 C ATOM 800 CG ASP A 63 -8.303 12.495 -12.874 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.665 13.453 -12.155 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.214 12.589 -14.117 1.00 10.00 O ATOM 0 H ASP A 63 -8.909 9.686 -9.554 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.630 11.305 -10.914 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.120 11.349 -11.506 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.561 10.489 -12.969 1.00 10.00 H new ATOM 807 N GLY A 64 -10.674 8.771 -12.047 1.00 10.00 N ATOM 808 CA GLY A 64 -11.621 8.064 -12.884 1.00 10.00 C ATOM 809 C GLY A 64 -10.956 7.087 -13.835 1.00 10.00 C ATOM 810 O GLY A 64 -11.636 6.377 -14.575 1.00 10.00 O ATOM 0 H GLY A 64 -10.504 8.338 -11.139 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.325 7.524 -12.251 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.199 8.787 -13.460 1.00 10.00 H new ATOM 814 N GLN A 65 -9.631 7.039 -13.817 1.00 10.00 N ATOM 815 CA GLN A 65 -8.890 6.146 -14.703 1.00 10.00 C ATOM 816 C GLN A 65 -8.217 5.029 -13.909 1.00 10.00 C ATOM 817 O GLN A 65 -7.730 5.259 -12.801 1.00 10.00 O ATOM 818 CB GLN A 65 -7.826 6.927 -15.484 1.00 10.00 C ATOM 819 CG GLN A 65 -8.203 8.370 -15.783 1.00 10.00 C ATOM 820 CD GLN A 65 -9.405 8.489 -16.703 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.611 7.662 -17.593 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.214 9.511 -16.480 1.00 10.00 N ATOM 0 H GLN A 65 -9.047 7.605 -13.202 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.600 5.705 -15.403 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.895 6.917 -14.917 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.632 6.412 -16.425 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.416 8.886 -14.847 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.352 8.876 -16.239 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.006 10.173 -15.732 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.046 9.638 -17.056 1.00 10.00 H new ATOM 831 N PRO A 66 -8.197 3.799 -14.453 1.00 10.00 N ATOM 832 CA PRO A 66 -7.552 2.657 -13.795 1.00 10.00 C ATOM 833 C PRO A 66 -6.051 2.886 -13.633 1.00 10.00 C ATOM 834 O PRO A 66 -5.394 3.404 -14.541 1.00 10.00 O ATOM 835 CB PRO A 66 -7.818 1.483 -14.748 1.00 10.00 C ATOM 836 CG PRO A 66 -8.941 1.927 -15.619 1.00 10.00 C ATOM 837 CD PRO A 66 -8.808 3.416 -15.738 1.00 10.00 C ATOM 0 HA PRO A 66 -7.938 2.486 -12.790 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.932 1.248 -15.338 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.082 0.581 -14.196 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.887 1.451 -16.598 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.903 1.655 -15.185 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.180 3.699 -16.583 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.775 3.897 -15.884 1.00 10.00 H new ATOM 845 N ILE A 67 -5.512 2.511 -12.483 1.00 10.00 N ATOM 846 CA ILE A 67 -4.092 2.690 -12.216 1.00 10.00 C ATOM 847 C ILE A 67 -3.294 1.478 -12.685 1.00 10.00 C ATOM 848 O ILE A 67 -3.730 0.334 -12.526 1.00 10.00 O ATOM 849 CB ILE A 67 -3.824 2.935 -10.718 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.874 3.891 -10.145 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.424 3.498 -10.518 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.761 4.097 -8.653 1.00 10.00 C ATOM 0 H ILE A 67 -6.035 2.081 -11.720 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.770 3.569 -12.773 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.892 1.985 -10.188 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.784 4.856 -10.644 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.867 3.505 -10.375 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.248 3.666 -9.456 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.689 2.790 -10.900 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.331 4.442 -11.055 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.538 4.786 -8.321 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.882 3.141 -8.144 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.782 4.513 -8.416 1.00 10.00 H new ATOM 864 N ASN A 68 -2.135 1.742 -13.269 1.00 10.00 N ATOM 865 CA ASN A 68 -1.266 0.691 -13.779 1.00 10.00 C ATOM 866 C ASN A 68 -0.152 0.379 -12.788 1.00 10.00 C ATOM 867 O ASN A 68 0.149 1.180 -11.902 1.00 10.00 O ATOM 868 CB ASN A 68 -0.667 1.104 -15.125 1.00 10.00 C ATOM 869 CG ASN A 68 -1.534 0.686 -16.294 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.165 -0.369 -16.262 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.579 1.513 -17.326 1.00 10.00 N ATOM 0 H ASN A 68 -1.771 2.686 -13.403 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.867 -0.208 -13.917 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.533 2.186 -15.144 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.322 0.658 -15.232 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.154 1.285 -18.137 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.039 2.378 -17.310 1.00 10.00 H new ATOM 878 N GLU A 69 0.471 -0.780 -12.955 1.00 10.00 N ATOM 879 CA GLU A 69 1.548 -1.215 -12.073 1.00 10.00 C ATOM 880 C GLU A 69 2.893 -0.650 -12.524 1.00 10.00 C ATOM 881 O GLU A 69 3.934 -0.981 -11.961 1.00 10.00 O ATOM 882 CB GLU A 69 1.624 -2.745 -12.050 1.00 10.00 C ATOM 883 CG GLU A 69 0.315 -3.421 -11.685 1.00 10.00 C ATOM 884 CD GLU A 69 0.366 -4.920 -11.883 1.00 10.00 C ATOM 885 OE1 GLU A 69 0.956 -5.619 -11.031 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.177 -5.406 -12.896 1.00 10.00 O ATOM 0 H GLU A 69 0.247 -1.441 -13.699 1.00 10.00 H new ATOM 0 HA GLU A 69 1.331 -0.841 -11.072 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.942 -3.098 -13.031 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.390 -3.050 -11.337 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.074 -3.203 -10.645 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.488 -3.004 -12.293 1.00 10.00 H new ATOM 893 N THR A 70 2.867 0.202 -13.535 1.00 10.00 N ATOM 894 CA THR A 70 4.090 0.784 -14.063 1.00 10.00 C ATOM 895 C THR A 70 4.122 2.303 -13.898 1.00 10.00 C ATOM 896 O THR A 70 4.996 2.972 -14.448 1.00 10.00 O ATOM 897 CB THR A 70 4.243 0.430 -15.552 1.00 10.00 C ATOM 898 OG1 THR A 70 2.959 0.087 -16.098 1.00 10.00 O ATOM 899 CG2 THR A 70 5.204 -0.735 -15.739 1.00 10.00 C ATOM 0 H THR A 70 2.015 0.506 -14.006 1.00 10.00 H new ATOM 0 HA THR A 70 4.919 0.366 -13.492 1.00 10.00 H new ATOM 0 HB THR A 70 4.648 1.297 -16.073 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.056 -0.137 -17.047 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.294 -0.965 -16.801 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.183 -0.467 -15.341 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.824 -1.609 -15.209 1.00 10.00 H new ATOM 907 N ASP A 71 3.190 2.846 -13.126 1.00 10.00 N ATOM 908 CA ASP A 71 3.128 4.289 -12.931 1.00 10.00 C ATOM 909 C ASP A 71 3.603 4.695 -11.542 1.00 10.00 C ATOM 910 O ASP A 71 3.711 3.864 -10.636 1.00 10.00 O ATOM 911 CB ASP A 71 1.707 4.804 -13.163 1.00 10.00 C ATOM 912 CG ASP A 71 1.405 5.030 -14.629 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.330 4.605 -15.094 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.243 5.636 -15.328 1.00 10.00 O ATOM 0 H ASP A 71 2.474 2.316 -12.629 1.00 10.00 H new ATOM 0 HA ASP A 71 3.799 4.740 -13.662 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.993 4.089 -12.754 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.569 5.738 -12.619 1.00 10.00 H new ATOM 919 N THR A 72 3.896 5.978 -11.392 1.00 10.00 N ATOM 920 CA THR A 72 4.352 6.535 -10.128 1.00 10.00 C ATOM 921 C THR A 72 3.557 7.801 -9.812 1.00 10.00 C ATOM 922 O THR A 72 2.908 8.355 -10.703 1.00 10.00 O ATOM 923 CB THR A 72 5.859 6.874 -10.177 1.00 10.00 C ATOM 924 OG1 THR A 72 6.234 7.276 -11.501 1.00 10.00 O ATOM 925 CG2 THR A 72 6.701 5.683 -9.748 1.00 10.00 C ATOM 0 H THR A 72 3.824 6.663 -12.144 1.00 10.00 H new ATOM 0 HA THR A 72 4.193 5.789 -9.349 1.00 10.00 H new ATOM 0 HB THR A 72 6.041 7.695 -9.484 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.190 7.490 -11.519 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.757 5.949 -9.792 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.440 5.401 -8.728 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.511 4.843 -10.416 1.00 10.00 H new ATOM 933 N PRO A 73 3.584 8.279 -8.552 1.00 10.00 N ATOM 934 CA PRO A 73 2.859 9.493 -8.157 1.00 10.00 C ATOM 935 C PRO A 73 3.266 10.692 -9.005 1.00 10.00 C ATOM 936 O PRO A 73 2.421 11.469 -9.449 1.00 10.00 O ATOM 937 CB PRO A 73 3.272 9.704 -6.695 1.00 10.00 C ATOM 938 CG PRO A 73 3.708 8.366 -6.218 1.00 10.00 C ATOM 939 CD PRO A 73 4.302 7.676 -7.413 1.00 10.00 C ATOM 0 HA PRO A 73 1.782 9.391 -8.290 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.078 10.433 -6.615 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.440 10.082 -6.101 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.440 8.457 -5.416 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.866 7.800 -5.819 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.377 7.845 -7.481 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.151 6.597 -7.369 1.00 10.00 H new ATOM 947 N ALA A 74 4.566 10.819 -9.247 1.00 10.00 N ATOM 948 CA ALA A 74 5.097 11.917 -10.045 1.00 10.00 C ATOM 949 C ALA A 74 4.685 11.782 -11.508 1.00 10.00 C ATOM 950 O ALA A 74 4.431 12.779 -12.182 1.00 10.00 O ATOM 951 CB ALA A 74 6.611 11.969 -9.922 1.00 10.00 C ATOM 0 H ALA A 74 5.274 10.172 -8.900 1.00 10.00 H new ATOM 0 HA ALA A 74 4.679 12.849 -9.664 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.997 12.793 -10.522 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.886 12.120 -8.878 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.037 11.031 -10.277 1.00 10.00 H new ATOM 957 N GLN A 75 4.602 10.543 -11.985 1.00 10.00 N ATOM 958 CA GLN A 75 4.223 10.270 -13.371 1.00 10.00 C ATOM 959 C GLN A 75 2.779 10.689 -13.633 1.00 10.00 C ATOM 960 O GLN A 75 2.448 11.207 -14.701 1.00 10.00 O ATOM 961 CB GLN A 75 4.405 8.783 -13.680 1.00 10.00 C ATOM 962 CG GLN A 75 4.222 8.426 -15.148 1.00 10.00 C ATOM 963 CD GLN A 75 5.232 9.109 -16.050 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.347 9.425 -15.634 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.852 9.335 -17.295 1.00 10.00 N ATOM 0 H GLN A 75 4.793 9.708 -11.431 1.00 10.00 H new ATOM 0 HA GLN A 75 4.871 10.853 -14.026 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.402 8.477 -13.364 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.693 8.210 -13.086 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.307 7.346 -15.268 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.216 8.703 -15.462 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.919 9.058 -17.602 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.491 9.786 -17.949 1.00 10.00 H new ATOM 974 N LEU A 76 1.920 10.471 -12.650 1.00 10.00 N ATOM 975 CA LEU A 76 0.516 10.836 -12.773 1.00 10.00 C ATOM 976 C LEU A 76 0.287 12.262 -12.285 1.00 10.00 C ATOM 977 O LEU A 76 -0.843 12.753 -12.295 1.00 10.00 O ATOM 978 CB LEU A 76 -0.363 9.867 -11.979 1.00 10.00 C ATOM 979 CG LEU A 76 -0.363 8.417 -12.475 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.246 7.554 -11.589 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.833 8.346 -13.920 1.00 10.00 C ATOM 0 H LEU A 76 2.169 10.043 -11.758 1.00 10.00 H new ATOM 0 HA LEU A 76 0.242 10.777 -13.826 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.036 9.877 -10.939 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.388 10.238 -11.995 1.00 10.00 H new ATOM 0 HG LEU A 76 0.657 8.037 -12.425 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.235 6.527 -11.955 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.870 7.579 -10.566 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.267 7.936 -11.610 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.826 7.309 -14.254 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.845 8.744 -13.993 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.165 8.934 -14.549 1.00 10.00 H new ATOM 993 N GLU A 77 1.373 12.913 -11.862 1.00 10.00 N ATOM 994 CA GLU A 77 1.325 14.284 -11.357 1.00 10.00 C ATOM 995 C GLU A 77 0.348 14.391 -10.188 1.00 10.00 C ATOM 996 O GLU A 77 -0.489 15.293 -10.133 1.00 10.00 O ATOM 997 CB GLU A 77 0.940 15.253 -12.477 1.00 10.00 C ATOM 998 CG GLU A 77 1.844 15.160 -13.696 1.00 10.00 C ATOM 999 CD GLU A 77 2.397 16.506 -14.111 1.00 10.00 C ATOM 1000 OE1 GLU A 77 1.646 17.302 -14.717 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.587 16.774 -13.844 1.00 10.00 O ATOM 0 H GLU A 77 2.308 12.504 -11.860 1.00 10.00 H new ATOM 0 HA GLU A 77 2.317 14.555 -10.996 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.088 15.055 -12.781 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.968 16.272 -12.091 1.00 10.00 H new ATOM 0 HG2 GLU A 77 2.670 14.482 -13.481 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.285 14.728 -14.527 1.00 10.00 H new ATOM 1008 N MET A 78 0.477 13.457 -9.255 1.00 10.00 N ATOM 1009 CA MET A 78 -0.388 13.411 -8.087 1.00 10.00 C ATOM 1010 C MET A 78 0.034 14.432 -7.045 1.00 10.00 C ATOM 1011 O MET A 78 1.181 14.895 -7.033 1.00 10.00 O ATOM 1012 CB MET A 78 -0.376 12.016 -7.468 1.00 10.00 C ATOM 1013 CG MET A 78 -0.962 10.951 -8.371 1.00 10.00 C ATOM 1014 SD MET A 78 -0.945 9.311 -7.621 1.00 10.00 S ATOM 1015 CE MET A 78 -2.060 9.563 -6.243 1.00 10.00 C ATOM 0 H MET A 78 1.178 12.717 -9.287 1.00 10.00 H new ATOM 0 HA MET A 78 -1.398 13.652 -8.418 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.650 11.746 -7.219 1.00 10.00 H new ATOM 0 HB3 MET A 78 -0.936 12.037 -6.533 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.988 11.219 -8.623 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.401 10.924 -9.305 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.488 9.612 -5.316 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.606 10.496 -6.383 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.766 8.734 -6.190 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.893 14.759 -6.166 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.656 15.723 -5.107 1.00 10.00 C ATOM 1027 C GLU A 79 -1.056 15.129 -3.769 1.00 10.00 C ATOM 1028 O GLU A 79 -1.504 13.986 -3.695 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.457 17.000 -5.368 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.819 17.922 -6.389 1.00 10.00 C ATOM 1031 CD GLU A 79 0.230 18.829 -5.781 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.242 20.030 -6.122 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.051 18.351 -4.969 1.00 10.00 O ATOM 0 H GLU A 79 -1.833 14.364 -6.165 1.00 10.00 H new ATOM 0 HA GLU A 79 0.406 15.970 -5.086 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.455 16.728 -5.711 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.578 17.540 -4.429 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.363 17.324 -7.178 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -1.593 18.531 -6.857 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.893 15.902 -2.713 1.00 10.00 N ATOM 1041 CA ASP A 80 -1.255 15.444 -1.383 1.00 10.00 C ATOM 1042 C ASP A 80 -2.767 15.464 -1.237 1.00 10.00 C ATOM 1043 O ASP A 80 -3.452 16.195 -1.957 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.609 16.321 -0.311 1.00 10.00 C ATOM 1045 CG ASP A 80 0.890 16.131 -0.235 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.616 16.830 -0.974 1.00 10.00 O ATOM 1047 OD2 ASP A 80 1.351 15.295 0.570 1.00 10.00 O ATOM 0 H ASP A 80 -0.513 16.848 -2.748 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.890 14.426 -1.250 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -0.829 17.368 -0.521 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -1.051 16.090 0.658 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.278 14.644 -0.325 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.714 14.545 -0.073 1.00 10.00 C ATOM 1054 C GLU A 81 -5.443 13.952 -1.279 1.00 10.00 C ATOM 1055 O GLU A 81 -6.656 14.122 -1.431 1.00 10.00 O ATOM 1056 CB GLU A 81 -5.313 15.912 0.279 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.689 16.560 1.501 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.723 17.138 2.439 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.927 18.370 2.423 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.346 16.363 3.195 1.00 10.00 O ATOM 0 H GLU A 81 -2.711 14.030 0.260 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.848 13.879 0.780 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.195 16.580 -0.574 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.384 15.796 0.448 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.091 15.821 2.035 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -4.009 17.350 1.182 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.702 13.260 -2.132 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.287 12.640 -3.314 1.00 10.00 C ATOM 1069 C ASP A 82 -5.982 11.346 -2.930 1.00 10.00 C ATOM 1070 O ASP A 82 -5.363 10.436 -2.377 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.225 12.380 -4.383 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.262 13.416 -5.492 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.291 14.117 -5.624 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.270 13.537 -6.241 1.00 10.00 O ATOM 0 H ASP A 82 -3.698 13.113 -2.029 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.022 13.327 -3.734 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.238 12.381 -3.920 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.376 11.388 -4.809 1.00 10.00 H new ATOM 1079 N THR A 83 -7.271 11.272 -3.216 1.00 10.00 N ATOM 1080 CA THR A 83 -8.064 10.105 -2.880 1.00 10.00 C ATOM 1081 C THR A 83 -8.089 9.087 -4.016 1.00 10.00 C ATOM 1082 O THR A 83 -8.288 9.438 -5.180 1.00 10.00 O ATOM 1083 CB THR A 83 -9.509 10.508 -2.536 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.515 11.802 -1.919 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.149 9.495 -1.599 1.00 10.00 C ATOM 0 H THR A 83 -7.792 12.013 -3.684 1.00 10.00 H new ATOM 0 HA THR A 83 -7.593 9.645 -2.012 1.00 10.00 H new ATOM 0 HB THR A 83 -10.086 10.536 -3.460 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.436 12.057 -1.703 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.169 9.804 -1.372 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.164 8.516 -2.077 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.573 9.439 -0.675 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.870 7.827 -3.669 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.890 6.742 -4.635 1.00 10.00 C ATOM 1095 C ILE A 84 -9.070 5.820 -4.338 1.00 10.00 C ATOM 1096 O ILE A 84 -9.281 5.426 -3.187 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.574 5.934 -4.608 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.380 6.860 -4.865 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.615 4.811 -5.638 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.039 6.162 -4.793 1.00 10.00 C ATOM 0 H ILE A 84 -7.674 7.530 -2.713 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.995 7.174 -5.630 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.459 5.486 -3.621 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.490 7.315 -5.850 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.397 7.670 -4.136 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.680 4.252 -5.605 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.446 4.142 -5.414 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.749 5.235 -6.633 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.243 6.882 -4.986 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.906 5.731 -3.801 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -4.000 5.370 -5.541 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.836 5.493 -5.370 1.00 10.00 N ATOM 1113 CA ASP A 85 -11.006 4.636 -5.212 1.00 10.00 C ATOM 1114 C ASP A 85 -10.657 3.176 -5.484 1.00 10.00 C ATOM 1115 O ASP A 85 -9.930 2.865 -6.433 1.00 10.00 O ATOM 1116 CB ASP A 85 -12.133 5.087 -6.145 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.685 6.452 -5.778 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.260 6.595 -4.675 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.546 7.389 -6.591 1.00 10.00 O ATOM 0 H ASP A 85 -9.669 5.808 -6.326 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.345 4.722 -4.180 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.763 5.113 -7.170 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.939 4.354 -6.116 1.00 10.00 H new ATOM 1124 N VAL A 86 -11.175 2.285 -4.645 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.921 0.856 -4.784 1.00 10.00 C ATOM 1126 C VAL A 86 -12.217 0.097 -5.068 1.00 10.00 C ATOM 1127 O VAL A 86 -13.159 0.127 -4.272 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.259 0.267 -3.519 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.840 -1.177 -3.753 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -9.067 1.108 -3.088 1.00 10.00 C ATOM 0 H VAL A 86 -11.776 2.529 -3.858 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.237 0.738 -5.624 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.994 0.284 -2.715 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.376 -1.572 -2.849 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.717 -1.775 -4.002 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.126 -1.220 -4.576 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.618 0.672 -2.195 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.329 1.132 -3.890 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.398 2.123 -2.869 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.259 -0.584 -6.202 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.433 -1.351 -6.593 1.00 10.00 C ATOM 1142 C PHE A 87 -13.109 -2.840 -6.642 1.00 10.00 C ATOM 1143 O PHE A 87 -11.946 -3.222 -6.759 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.941 -0.886 -7.959 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.382 0.552 -7.987 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.601 0.927 -7.445 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.580 1.525 -8.563 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -16.007 2.247 -7.468 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.982 2.847 -8.589 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.198 3.207 -8.045 1.00 10.00 C ATOM 0 H PHE A 87 -11.490 -0.622 -6.871 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.212 -1.186 -5.849 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.152 -1.028 -8.697 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.776 -1.518 -8.260 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.240 0.179 -7.000 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.631 1.247 -8.996 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.956 2.528 -7.035 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.345 3.597 -9.034 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.517 4.238 -8.070 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.133 -3.673 -6.552 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.952 -5.119 -6.596 1.00 10.00 C ATOM 1162 C GLN A 88 -14.191 -5.648 -8.005 1.00 10.00 C ATOM 1163 O GLN A 88 -15.080 -5.175 -8.710 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.913 -5.803 -5.623 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.379 -5.924 -4.205 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.485 -7.135 -4.016 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.644 -8.155 -4.691 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -12.549 -7.038 -3.087 1.00 10.00 N ATOM 0 H GLN A 88 -15.102 -3.373 -6.448 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.926 -5.342 -6.305 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.849 -5.245 -5.601 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.145 -6.800 -5.999 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.820 -5.023 -3.954 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.216 -5.984 -3.510 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -12.450 -6.176 -2.550 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -11.926 -7.825 -2.907 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.396 -6.624 -8.409 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.531 -7.219 -9.730 1.00 10.00 C ATOM 1179 C GLN A 89 -14.783 -8.091 -9.776 1.00 10.00 C ATOM 1180 O GLN A 89 -15.133 -8.738 -8.785 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.278 -8.040 -10.063 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.250 -8.608 -11.475 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.408 -7.544 -12.543 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.083 -6.375 -12.336 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -12.904 -7.945 -13.701 1.00 10.00 N ATOM 0 H GLN A 89 -12.649 -7.023 -7.841 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.632 -6.431 -10.476 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.399 -7.411 -9.921 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.199 -8.863 -9.353 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.308 -9.135 -11.631 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.048 -9.343 -11.581 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.162 -8.923 -13.834 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.029 -7.277 -14.461 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.457 -8.092 -10.918 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.678 -8.873 -11.101 1.00 10.00 C ATOM 1196 C GLN A 90 -16.423 -10.359 -10.859 1.00 10.00 C ATOM 1197 O GLN A 90 -15.350 -10.875 -11.170 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.243 -8.659 -12.510 1.00 10.00 C ATOM 1199 CG GLN A 90 -17.954 -7.325 -12.698 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.012 -6.135 -12.686 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -15.848 -6.240 -13.072 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.511 -4.992 -12.244 1.00 10.00 N ATOM 0 H GLN A 90 -15.177 -7.556 -11.740 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.409 -8.529 -10.369 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.429 -8.729 -13.231 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -17.940 -9.466 -12.737 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.496 -7.340 -13.643 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.694 -7.201 -11.908 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.481 -4.946 -11.933 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.925 -4.157 -12.215 1.00 10.00 H new ATOM 1211 N THR A 91 -17.411 -11.034 -10.293 1.00 10.00 N ATOM 1212 CA THR A 91 -17.302 -12.454 -9.999 1.00 10.00 C ATOM 1213 C THR A 91 -18.543 -13.198 -10.486 1.00 10.00 C ATOM 1214 O THR A 91 -19.438 -13.520 -9.702 1.00 10.00 O ATOM 1215 CB THR A 91 -17.125 -12.696 -8.489 1.00 10.00 C ATOM 1216 OG1 THR A 91 -16.376 -11.621 -7.910 1.00 10.00 O ATOM 1217 CG2 THR A 91 -16.407 -14.013 -8.228 1.00 10.00 C ATOM 0 H THR A 91 -18.303 -10.618 -10.027 1.00 10.00 H new ATOM 0 HA THR A 91 -16.423 -12.831 -10.522 1.00 10.00 H new ATOM 0 HB THR A 91 -18.114 -12.744 -8.033 1.00 10.00 H new ATOM 0 HG1 THR A 91 -16.267 -11.779 -6.949 1.00 10.00 H new ATOM 0 HG21 THR A 91 -16.295 -14.160 -7.154 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.989 -14.834 -8.647 1.00 10.00 H new ATOM 0 HG23 THR A 91 -15.423 -13.990 -8.696 1.00 10.00 H new ATOM 1225 N GLY A 92 -18.597 -13.452 -11.782 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.736 -14.145 -12.353 1.00 10.00 C ATOM 1227 C GLY A 92 -20.846 -13.194 -12.756 1.00 10.00 C ATOM 1228 O GLY A 92 -20.695 -11.970 -12.649 1.00 10.00 O ATOM 0 H GLY A 92 -17.873 -13.192 -12.452 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.413 -14.713 -13.225 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -20.121 -14.864 -11.630 1.00 10.00 H new ATOM 1233 N ASP B 195 -14.222 5.773 15.159 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.799 6.043 13.793 1.00 10.00 C ATOM 1235 C ASP B 195 -12.723 5.047 13.373 1.00 10.00 C ATOM 1236 O ASP B 195 -12.099 4.411 14.225 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.262 7.469 13.680 1.00 10.00 C ATOM 1238 CG ASP B 195 -13.529 8.074 12.318 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -14.160 9.149 12.258 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -13.125 7.477 11.298 1.00 10.00 O ATOM 0 HA ASP B 195 -14.659 5.937 13.132 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.722 8.091 14.448 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -12.189 7.468 13.871 1.00 10.00 H new ATOM 1245 N THR B 196 -12.508 4.894 12.072 1.00 10.00 N ATOM 1246 CA THR B 196 -11.490 3.975 11.605 1.00 10.00 C ATOM 1247 C THR B 196 -10.440 4.716 10.795 1.00 10.00 C ATOM 1248 O THR B 196 -10.755 5.376 9.801 1.00 10.00 O ATOM 1249 CB THR B 196 -12.089 2.854 10.739 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.437 2.575 11.155 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.244 1.591 10.840 1.00 10.00 C ATOM 0 H THR B 196 -13.017 5.386 11.338 1.00 10.00 H new ATOM 0 HA THR B 196 -11.033 3.527 12.487 1.00 10.00 H new ATOM 0 HB THR B 196 -12.097 3.187 9.701 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.811 1.861 10.597 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.683 0.809 10.221 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.232 1.802 10.495 1.00 10.00 H new ATOM 0 HG23 THR B 196 -11.211 1.257 11.877 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.199 4.605 11.230 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.093 5.245 10.553 1.00 10.00 C ATOM 1261 C ALA B 197 -7.010 4.229 10.223 1.00 10.00 C ATOM 1262 O ALA B 197 -6.599 3.453 11.087 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.535 6.382 11.396 1.00 10.00 C ATOM 0 H ALA B 197 -8.933 4.072 12.058 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.458 5.667 9.617 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.704 6.851 10.870 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.316 7.121 11.573 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.185 5.989 12.351 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.572 4.211 8.982 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.518 3.305 8.589 1.00 10.00 C ATOM 1271 C GLY B 198 -4.332 4.077 8.050 1.00 10.00 C ATOM 1272 O GLY B 198 -4.510 4.949 7.213 1.00 10.00 O ATOM 0 H GLY B 198 -6.927 4.808 8.235 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.210 2.703 9.444 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.887 2.616 7.830 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.134 3.804 8.539 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.962 4.513 8.040 1.00 10.00 C ATOM 1278 C CYS B 199 -0.933 3.534 7.480 1.00 10.00 C ATOM 1279 O CYS B 199 -0.507 2.603 8.167 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.349 5.371 9.154 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.522 6.498 9.952 1.00 10.00 S ATOM 0 H CYS B 199 -2.946 3.113 9.265 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.274 5.170 7.228 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.922 4.713 9.911 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.527 5.954 8.738 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.911 7.176 10.878 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.547 3.738 6.224 1.00 10.00 N ATOM 1288 CA ILE B 200 0.436 2.882 5.574 1.00 10.00 C ATOM 1289 C ILE B 200 1.601 3.699 5.020 1.00 10.00 C ATOM 1290 O ILE B 200 1.396 4.698 4.330 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.188 2.052 4.425 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.424 1.296 4.917 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.837 1.083 3.843 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -2.058 0.414 3.863 1.00 10.00 C ATOM 0 H ILE B 200 -0.902 4.492 5.636 1.00 10.00 H new ATOM 0 HA ILE B 200 0.802 2.199 6.340 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.497 2.738 3.636 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.146 0.681 5.773 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.163 2.016 5.268 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.379 0.509 3.037 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.686 1.643 3.452 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.179 0.403 4.623 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.928 -0.089 4.285 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.368 1.025 3.016 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.335 -0.330 3.528 1.00 10.00 H new ATOM 1306 N VAL B 201 2.817 3.288 5.335 1.00 10.00 N ATOM 1307 CA VAL B 201 4.001 3.958 4.818 1.00 10.00 C ATOM 1308 C VAL B 201 4.851 2.954 4.042 1.00 10.00 C ATOM 1309 O VAL B 201 5.161 1.871 4.545 1.00 10.00 O ATOM 1310 CB VAL B 201 4.833 4.613 5.951 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.054 3.639 7.097 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.163 5.126 5.421 1.00 10.00 C ATOM 0 H VAL B 201 3.012 2.495 5.946 1.00 10.00 H new ATOM 0 HA VAL B 201 3.679 4.759 4.152 1.00 10.00 H new ATOM 0 HB VAL B 201 4.267 5.463 6.332 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.640 4.123 7.878 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.091 3.331 7.504 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.590 2.763 6.732 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.728 5.581 6.235 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.733 4.296 5.003 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.983 5.869 4.644 1.00 10.00 H new ATOM 1322 N ILE B 202 5.182 3.287 2.803 1.00 10.00 N ATOM 1323 CA ILE B 202 5.996 2.412 1.985 1.00 10.00 C ATOM 1324 C ILE B 202 7.235 3.150 1.499 1.00 10.00 C ATOM 1325 O ILE B 202 7.155 4.290 1.042 1.00 10.00 O ATOM 1326 CB ILE B 202 5.217 1.785 0.790 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.941 2.811 -0.312 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.912 1.158 1.278 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.971 2.325 -1.368 1.00 10.00 C ATOM 0 H ILE B 202 4.899 4.154 2.347 1.00 10.00 H new ATOM 0 HA ILE B 202 6.297 1.578 2.618 1.00 10.00 H new ATOM 0 HB ILE B 202 5.846 1.006 0.359 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.545 3.720 0.141 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.883 3.078 -0.792 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.378 0.724 0.432 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.133 0.378 2.007 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.292 1.924 1.744 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.825 3.106 -2.115 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.373 1.433 -1.849 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.015 2.086 -0.902 1.00 10.00 H new