USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.149 USER MOD Single : A 14 TYR OH : rot -6:sc= -0.221 USER MOD Single : A 16 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 23 MET CE :methyl -149:sc= -0.0174 (180deg=-0.653) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.06 K(o=-0.06,f=-0.65) USER MOD Single : A 38 MET CE :methyl -147:sc= -0.407 (180deg=-1.77) USER MOD Single : A 40 ASN : amide:sc= 0.357 X(o=0.36,f=-0.12) USER MOD Single : A 42 SER OG : rot -77:sc= 1.13 USER MOD Single : A 45 SER OG : rot 70:sc= 1.26 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00964) USER MOD Single : A 52 GLN : amide:sc= -0.594 K(o=-0.59,f=-5.9!) USER MOD Single : A 53 SER OG : rot 156:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00045 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.4) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.182 F(o=-3.2!,f=-0.18) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 1.09 K(o=1.1,f=-0.006) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 97:sc= 0.123 USER MOD Single : A 83 THR OG1 : rot 36:sc= 0.111 USER MOD Single : A 84 MET CE :methyl 152:sc= -0.172 (180deg=-0.977) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 7.555 -20.742 1.817 1.00 0.00 N ATOM 2 CA ASN A 7 8.449 -21.376 0.855 1.00 0.00 C ATOM 3 C ASN A 7 8.222 -20.805 -0.537 1.00 0.00 C ATOM 4 O ASN A 7 9.056 -20.966 -1.430 1.00 0.00 O ATOM 5 CB ASN A 7 8.270 -22.903 0.831 1.00 0.00 C ATOM 6 CG ASN A 7 6.878 -23.323 0.406 1.00 0.00 C ATOM 7 OD1 ASN A 7 6.015 -23.573 1.238 1.00 0.00 O ATOM 8 ND2 ASN A 7 6.654 -23.405 -0.886 1.00 0.00 N ATOM 0 HA ASN A 7 9.471 -21.163 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 7 9.000 -23.339 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.479 -23.305 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.735 -23.685 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.399 -23.188 -1.548 1.00 0.00 H new ATOM 15 N GLY A 8 7.100 -20.128 -0.714 1.00 0.00 N ATOM 16 CA GLY A 8 6.761 -19.558 -2.001 1.00 0.00 C ATOM 17 C GLY A 8 6.077 -18.223 -1.853 1.00 0.00 C ATOM 18 O GLY A 8 4.847 -18.140 -1.876 1.00 0.00 O ATOM 0 H GLY A 8 6.410 -19.961 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.666 -19.440 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.109 -20.243 -2.543 1.00 0.00 H new ATOM 22 N LEU A 9 6.866 -17.180 -1.699 1.00 0.00 N ATOM 23 CA LEU A 9 6.333 -15.847 -1.498 1.00 0.00 C ATOM 24 C LEU A 9 6.321 -15.074 -2.813 1.00 0.00 C ATOM 25 O LEU A 9 7.173 -15.297 -3.682 1.00 0.00 O ATOM 26 CB LEU A 9 7.174 -15.063 -0.460 1.00 0.00 C ATOM 27 CG LEU A 9 7.436 -15.744 0.896 1.00 0.00 C ATOM 28 CD1 LEU A 9 8.548 -16.782 0.787 1.00 0.00 C ATOM 29 CD2 LEU A 9 7.778 -14.711 1.955 1.00 0.00 C ATOM 0 H LEU A 9 7.885 -17.230 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 9 5.314 -15.952 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.138 -14.831 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.675 -14.113 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 9 6.522 -16.259 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.710 -17.245 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.263 -17.546 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.467 -16.297 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.960 -15.211 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.673 -14.165 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.947 -14.014 2.065 1.00 0.00 H new ATOM 41 N PRO A 10 5.339 -14.184 -3.000 1.00 0.00 N ATOM 42 CA PRO A 10 5.304 -13.304 -4.158 1.00 0.00 C ATOM 43 C PRO A 10 6.300 -12.160 -3.982 1.00 0.00 C ATOM 44 O PRO A 10 6.680 -11.834 -2.849 1.00 0.00 O ATOM 45 CB PRO A 10 3.869 -12.773 -4.159 1.00 0.00 C ATOM 46 CG PRO A 10 3.441 -12.825 -2.732 1.00 0.00 C ATOM 47 CD PRO A 10 4.177 -13.984 -2.108 1.00 0.00 C ATOM 0 HA PRO A 10 5.571 -13.806 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.824 -11.756 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.222 -13.384 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.680 -11.893 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.363 -12.963 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.489 -13.758 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.552 -14.876 -2.059 1.00 0.00 H new ATOM 55 N SER A 11 6.713 -11.547 -5.082 1.00 0.00 N ATOM 56 CA SER A 11 7.700 -10.468 -5.047 1.00 0.00 C ATOM 57 C SER A 11 7.266 -9.339 -4.112 1.00 0.00 C ATOM 58 O SER A 11 8.098 -8.664 -3.508 1.00 0.00 O ATOM 59 CB SER A 11 7.922 -9.920 -6.447 1.00 0.00 C ATOM 60 OG SER A 11 8.238 -10.966 -7.352 1.00 0.00 O ATOM 0 H SER A 11 6.379 -11.778 -6.018 1.00 0.00 H new ATOM 0 HA SER A 11 8.632 -10.883 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.026 -9.399 -6.785 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.730 -9.189 -6.432 1.00 0.00 H new ATOM 0 HG SER A 11 8.376 -10.593 -8.248 1.00 0.00 H new ATOM 66 N GLU A 12 5.958 -9.174 -3.972 1.00 0.00 N ATOM 67 CA GLU A 12 5.383 -8.122 -3.147 1.00 0.00 C ATOM 68 C GLU A 12 5.667 -8.325 -1.654 1.00 0.00 C ATOM 69 O GLU A 12 5.423 -7.429 -0.848 1.00 0.00 O ATOM 70 CB GLU A 12 3.868 -8.011 -3.379 1.00 0.00 C ATOM 71 CG GLU A 12 3.467 -7.475 -4.753 1.00 0.00 C ATOM 72 CD GLU A 12 3.926 -8.359 -5.892 1.00 0.00 C ATOM 73 OE1 GLU A 12 3.377 -9.469 -6.044 1.00 0.00 O ATOM 74 OE2 GLU A 12 4.851 -7.955 -6.624 1.00 0.00 O ATOM 0 H GLU A 12 5.265 -9.767 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 12 5.864 -7.192 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.421 -8.996 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.444 -7.361 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.383 -7.373 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.886 -6.477 -4.884 1.00 0.00 H new ATOM 81 N THR A 13 6.184 -9.491 -1.279 1.00 0.00 N ATOM 82 CA THR A 13 6.464 -9.766 0.117 1.00 0.00 C ATOM 83 C THR A 13 7.950 -9.539 0.433 1.00 0.00 C ATOM 84 O THR A 13 8.329 -9.366 1.584 1.00 0.00 O ATOM 85 CB THR A 13 6.062 -11.209 0.484 1.00 0.00 C ATOM 86 OG1 THR A 13 4.757 -11.477 -0.042 1.00 0.00 O ATOM 87 CG2 THR A 13 6.035 -11.401 1.995 1.00 0.00 C ATOM 0 H THR A 13 6.414 -10.251 -1.919 1.00 0.00 H new ATOM 0 HA THR A 13 5.871 -9.075 0.716 1.00 0.00 H new ATOM 0 HB THR A 13 6.796 -11.893 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.300 -12.127 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.749 -12.427 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.025 -11.199 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.312 -10.714 2.436 1.00 0.00 H new ATOM 95 N TYR A 14 8.782 -9.520 -0.604 1.00 0.00 N ATOM 96 CA TYR A 14 10.223 -9.322 -0.417 1.00 0.00 C ATOM 97 C TYR A 14 10.545 -7.854 -0.431 1.00 0.00 C ATOM 98 O TYR A 14 11.573 -7.426 0.084 1.00 0.00 O ATOM 99 CB TYR A 14 11.028 -10.000 -1.521 1.00 0.00 C ATOM 100 CG TYR A 14 10.776 -11.467 -1.659 1.00 0.00 C ATOM 101 CD1 TYR A 14 9.729 -11.919 -2.422 1.00 0.00 C ATOM 102 CD2 TYR A 14 11.593 -12.397 -1.038 1.00 0.00 C ATOM 103 CE1 TYR A 14 9.486 -13.250 -2.575 1.00 0.00 C ATOM 104 CE2 TYR A 14 11.359 -13.747 -1.180 1.00 0.00 C ATOM 105 CZ TYR A 14 10.302 -14.171 -1.953 1.00 0.00 C ATOM 106 OH TYR A 14 10.065 -15.516 -2.109 1.00 0.00 O ATOM 0 H TYR A 14 8.491 -9.638 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 14 10.491 -9.765 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.801 -9.514 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.089 -9.843 -1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.084 -11.204 -2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.423 -12.060 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.657 -13.583 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.999 -14.466 -0.690 1.00 0.00 H new ATOM 0 HH TYR A 14 9.233 -15.646 -2.611 1.00 0.00 H new ATOM 116 N ILE A 15 9.659 -7.079 -1.014 1.00 0.00 N ATOM 117 CA ILE A 15 9.872 -5.670 -1.146 1.00 0.00 C ATOM 118 C ILE A 15 9.262 -4.940 0.019 1.00 0.00 C ATOM 119 O ILE A 15 8.283 -5.401 0.625 1.00 0.00 O ATOM 120 CB ILE A 15 9.287 -5.126 -2.457 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.866 -5.639 -2.658 1.00 0.00 C ATOM 122 CG2 ILE A 15 10.173 -5.515 -3.631 1.00 0.00 C ATOM 123 CD1 ILE A 15 7.094 -4.873 -3.705 1.00 0.00 C ATOM 0 H ILE A 15 8.778 -7.412 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 15 10.949 -5.503 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 15 9.251 -4.038 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.904 -6.691 -2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.331 -5.584 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.747 -5.123 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.171 -5.100 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.238 -6.601 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.092 -5.291 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.025 -3.825 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.607 -4.949 -4.664 1.00 0.00 H new ATOM 135 N THR A 16 9.809 -3.805 0.319 1.00 0.00 N ATOM 136 CA THR A 16 9.380 -3.061 1.455 1.00 0.00 C ATOM 137 C THR A 16 8.514 -1.889 1.025 1.00 0.00 C ATOM 138 O THR A 16 8.621 -1.406 -0.099 1.00 0.00 O ATOM 139 CB THR A 16 10.594 -2.555 2.246 1.00 0.00 C ATOM 140 OG1 THR A 16 11.682 -3.480 2.092 1.00 0.00 O ATOM 141 CG2 THR A 16 10.255 -2.443 3.712 1.00 0.00 C ATOM 0 H THR A 16 10.562 -3.371 -0.215 1.00 0.00 H new ATOM 0 HA THR A 16 8.789 -3.716 2.095 1.00 0.00 H new ATOM 0 HB THR A 16 10.876 -1.573 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.095 -3.355 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.126 -2.083 4.260 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.429 -1.743 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.965 -3.422 4.094 1.00 0.00 H new ATOM 149 N CYS A 17 7.663 -1.446 1.924 1.00 0.00 N ATOM 150 CA CYS A 17 6.764 -0.337 1.668 1.00 0.00 C ATOM 151 C CYS A 17 7.528 0.931 1.265 1.00 0.00 C ATOM 152 O CYS A 17 7.189 1.577 0.281 1.00 0.00 O ATOM 153 CB CYS A 17 5.925 -0.097 2.904 1.00 0.00 C ATOM 154 SG CYS A 17 5.104 1.504 2.976 1.00 0.00 S ATOM 0 H CYS A 17 7.573 -1.845 2.858 1.00 0.00 H new ATOM 0 HA CYS A 17 6.117 -0.590 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.168 -0.879 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.563 -0.200 3.782 1.00 0.00 H new ATOM 159 N ALA A 18 8.563 1.272 2.028 1.00 0.00 N ATOM 160 CA ALA A 18 9.400 2.432 1.723 1.00 0.00 C ATOM 161 C ALA A 18 10.021 2.327 0.321 1.00 0.00 C ATOM 162 O ALA A 18 10.194 3.339 -0.369 1.00 0.00 O ATOM 163 CB ALA A 18 10.488 2.588 2.776 1.00 0.00 C ATOM 0 H ALA A 18 8.844 0.761 2.865 1.00 0.00 H new ATOM 0 HA ALA A 18 8.763 3.316 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.104 3.455 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.030 2.727 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.111 1.694 2.791 1.00 0.00 H new ATOM 169 N GLU A 19 10.349 1.101 -0.100 1.00 0.00 N ATOM 170 CA GLU A 19 10.940 0.868 -1.418 1.00 0.00 C ATOM 171 C GLU A 19 9.949 1.165 -2.529 1.00 0.00 C ATOM 172 O GLU A 19 10.342 1.501 -3.648 1.00 0.00 O ATOM 173 CB GLU A 19 11.437 -0.566 -1.550 1.00 0.00 C ATOM 174 CG GLU A 19 12.516 -0.932 -0.558 1.00 0.00 C ATOM 175 CD GLU A 19 13.081 -2.304 -0.814 1.00 0.00 C ATOM 176 OE1 GLU A 19 12.433 -3.297 -0.440 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.186 -2.394 -1.383 1.00 0.00 O ATOM 0 H GLU A 19 10.214 0.256 0.455 1.00 0.00 H new ATOM 0 HA GLU A 19 11.787 1.548 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.594 -1.246 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.819 -0.717 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.318 -0.195 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.108 -0.891 0.452 1.00 0.00 H new ATOM 184 N ALA A 20 8.661 1.041 -2.221 1.00 0.00 N ATOM 185 CA ALA A 20 7.623 1.317 -3.183 1.00 0.00 C ATOM 186 C ALA A 20 7.684 2.782 -3.612 1.00 0.00 C ATOM 187 O ALA A 20 7.379 3.122 -4.747 1.00 0.00 O ATOM 188 CB ALA A 20 6.255 0.977 -2.613 1.00 0.00 C ATOM 0 H ALA A 20 8.320 0.749 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 20 7.784 0.690 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.487 1.193 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.222 -0.081 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.074 1.575 -1.720 1.00 0.00 H new ATOM 194 N ASN A 21 8.112 3.639 -2.694 1.00 0.00 N ATOM 195 CA ASN A 21 8.254 5.058 -2.989 1.00 0.00 C ATOM 196 C ASN A 21 9.508 5.285 -3.822 1.00 0.00 C ATOM 197 O ASN A 21 9.520 6.108 -4.739 1.00 0.00 O ATOM 198 CB ASN A 21 8.318 5.881 -1.701 1.00 0.00 C ATOM 199 CG ASN A 21 8.429 7.375 -1.969 1.00 0.00 C ATOM 200 OD1 ASN A 21 9.528 7.921 -2.079 1.00 0.00 O ATOM 201 ND2 ASN A 21 7.299 8.043 -2.072 1.00 0.00 N ATOM 0 H ASN A 21 8.366 3.377 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 21 7.381 5.385 -3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.426 5.687 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.174 5.557 -1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.315 9.047 -2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.408 7.556 -1.975 1.00 0.00 H new ATOM 208 N GLU A 22 10.567 4.547 -3.488 1.00 0.00 N ATOM 209 CA GLU A 22 11.821 4.611 -4.237 1.00 0.00 C ATOM 210 C GLU A 22 11.572 4.329 -5.714 1.00 0.00 C ATOM 211 O GLU A 22 12.006 5.081 -6.581 1.00 0.00 O ATOM 212 CB GLU A 22 12.833 3.606 -3.697 1.00 0.00 C ATOM 213 CG GLU A 22 13.148 3.761 -2.223 1.00 0.00 C ATOM 214 CD GLU A 22 14.279 2.857 -1.788 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.179 1.633 -1.991 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.285 3.374 -1.254 1.00 0.00 O ATOM 0 H GLU A 22 10.581 3.897 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 22 12.226 5.616 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.454 2.599 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.758 3.700 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.412 4.798 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.257 3.536 -1.636 1.00 0.00 H new ATOM 223 N MET A 23 10.869 3.240 -5.989 1.00 0.00 N ATOM 224 CA MET A 23 10.538 2.878 -7.363 1.00 0.00 C ATOM 225 C MET A 23 9.506 3.842 -7.947 1.00 0.00 C ATOM 226 O MET A 23 9.505 4.099 -9.136 1.00 0.00 O ATOM 227 CB MET A 23 10.052 1.420 -7.451 1.00 0.00 C ATOM 228 CG MET A 23 8.931 1.080 -6.487 1.00 0.00 C ATOM 229 SD MET A 23 8.434 -0.654 -6.557 1.00 0.00 S ATOM 230 CE MET A 23 7.717 -0.734 -8.190 1.00 0.00 C ATOM 0 H MET A 23 10.517 2.593 -5.283 1.00 0.00 H new ATOM 0 HA MET A 23 11.446 2.959 -7.960 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.714 1.222 -8.468 1.00 0.00 H new ATOM 0 HB3 MET A 23 10.895 0.756 -7.260 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.248 1.320 -5.472 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.068 1.708 -6.708 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.919 -1.477 -8.201 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.309 0.241 -8.456 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.485 -1.015 -8.911 1.00 0.00 H new ATOM 240 N ALA A 24 8.630 4.369 -7.091 1.00 0.00 N ATOM 241 CA ALA A 24 7.622 5.354 -7.508 1.00 0.00 C ATOM 242 C ALA A 24 8.266 6.560 -8.193 1.00 0.00 C ATOM 243 O ALA A 24 7.659 7.187 -9.055 1.00 0.00 O ATOM 244 CB ALA A 24 6.779 5.809 -6.324 1.00 0.00 C ATOM 0 H ALA A 24 8.595 4.131 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 24 6.970 4.863 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.041 6.537 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.268 4.950 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.423 6.266 -5.573 1.00 0.00 H new ATOM 250 N LYS A 25 9.498 6.875 -7.800 1.00 0.00 N ATOM 251 CA LYS A 25 10.249 7.986 -8.395 1.00 0.00 C ATOM 252 C LYS A 25 10.446 7.796 -9.907 1.00 0.00 C ATOM 253 O LYS A 25 10.698 8.759 -10.630 1.00 0.00 O ATOM 254 CB LYS A 25 11.611 8.144 -7.713 1.00 0.00 C ATOM 255 CG LYS A 25 11.530 8.437 -6.223 1.00 0.00 C ATOM 256 CD LYS A 25 12.915 8.553 -5.606 1.00 0.00 C ATOM 257 CE LYS A 25 12.840 8.799 -4.107 1.00 0.00 C ATOM 258 NZ LYS A 25 14.189 8.924 -3.495 1.00 0.00 N ATOM 0 H LYS A 25 10.003 6.375 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 25 9.661 8.891 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.188 7.231 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.158 8.950 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.979 9.364 -6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.973 7.644 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.477 7.639 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.459 9.368 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.270 9.708 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.301 7.980 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.092 9.091 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.725 8.047 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.695 9.722 -3.930 1.00 0.00 H new ATOM 272 N THR A 26 10.326 6.558 -10.370 1.00 0.00 N ATOM 273 CA THR A 26 10.491 6.251 -11.784 1.00 0.00 C ATOM 274 C THR A 26 9.262 5.544 -12.345 1.00 0.00 C ATOM 275 O THR A 26 8.903 5.721 -13.510 1.00 0.00 O ATOM 276 CB THR A 26 11.732 5.359 -12.027 1.00 0.00 C ATOM 277 OG1 THR A 26 11.659 4.170 -11.216 1.00 0.00 O ATOM 278 CG2 THR A 26 13.006 6.113 -11.699 1.00 0.00 C ATOM 0 H THR A 26 10.115 5.749 -9.785 1.00 0.00 H new ATOM 0 HA THR A 26 10.626 7.204 -12.296 1.00 0.00 H new ATOM 0 HB THR A 26 11.746 5.079 -13.080 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.153 3.479 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.867 5.468 -11.877 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.079 6.997 -12.332 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.990 6.416 -10.652 1.00 0.00 H new ATOM 286 N ASP A 27 8.623 4.750 -11.509 1.00 0.00 N ATOM 287 CA ASP A 27 7.476 3.954 -11.908 1.00 0.00 C ATOM 288 C ASP A 27 6.317 4.190 -10.956 1.00 0.00 C ATOM 289 O ASP A 27 5.805 3.251 -10.346 1.00 0.00 O ATOM 290 CB ASP A 27 7.840 2.461 -11.890 1.00 0.00 C ATOM 291 CG ASP A 27 9.130 2.143 -12.614 1.00 0.00 C ATOM 292 OD1 ASP A 27 9.106 1.995 -13.854 1.00 0.00 O ATOM 293 OD2 ASP A 27 10.179 2.021 -11.940 1.00 0.00 O ATOM 0 H ASP A 27 8.885 4.637 -10.530 1.00 0.00 H new ATOM 0 HA ASP A 27 7.185 4.250 -12.916 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.922 2.128 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.029 1.892 -12.344 1.00 0.00 H new ATOM 298 N SER A 28 5.903 5.438 -10.830 1.00 0.00 N ATOM 299 CA SER A 28 4.822 5.808 -9.921 1.00 0.00 C ATOM 300 C SER A 28 3.522 5.080 -10.252 1.00 0.00 C ATOM 301 O SER A 28 2.817 4.618 -9.353 1.00 0.00 O ATOM 302 CB SER A 28 4.607 7.323 -9.955 1.00 0.00 C ATOM 303 OG SER A 28 4.482 7.792 -11.291 1.00 0.00 O ATOM 0 H SER A 28 6.300 6.222 -11.348 1.00 0.00 H new ATOM 0 HA SER A 28 5.116 5.505 -8.916 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.710 7.579 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.444 7.823 -9.467 1.00 0.00 H new ATOM 0 HG SER A 28 4.344 8.762 -11.286 1.00 0.00 H new ATOM 309 N ALA A 29 3.221 4.953 -11.540 1.00 0.00 N ATOM 310 CA ALA A 29 1.995 4.305 -11.969 1.00 0.00 C ATOM 311 C ALA A 29 1.971 2.840 -11.552 1.00 0.00 C ATOM 312 O ALA A 29 0.933 2.325 -11.141 1.00 0.00 O ATOM 313 CB ALA A 29 1.804 4.446 -13.469 1.00 0.00 C ATOM 0 H ALA A 29 3.810 5.291 -12.301 1.00 0.00 H new ATOM 0 HA ALA A 29 1.163 4.805 -11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.879 3.952 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.752 5.503 -13.731 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.644 3.984 -13.988 1.00 0.00 H new ATOM 319 N GLN A 30 3.124 2.173 -11.632 1.00 0.00 N ATOM 320 CA GLN A 30 3.219 0.774 -11.226 1.00 0.00 C ATOM 321 C GLN A 30 2.949 0.632 -9.738 1.00 0.00 C ATOM 322 O GLN A 30 2.329 -0.331 -9.300 1.00 0.00 O ATOM 323 CB GLN A 30 4.599 0.188 -11.541 1.00 0.00 C ATOM 324 CG GLN A 30 4.943 0.150 -13.013 1.00 0.00 C ATOM 325 CD GLN A 30 6.225 -0.611 -13.287 1.00 0.00 C ATOM 326 OE1 GLN A 30 7.125 -0.672 -12.444 1.00 0.00 O ATOM 327 NE2 GLN A 30 6.323 -1.186 -14.463 1.00 0.00 N ATOM 0 H GLN A 30 3.997 2.577 -11.972 1.00 0.00 H new ATOM 0 HA GLN A 30 2.468 0.223 -11.792 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.356 0.773 -11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.649 -0.825 -11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.124 -0.313 -13.563 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.042 1.169 -13.387 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.557 -1.112 -15.132 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.165 -1.707 -14.708 1.00 0.00 H new ATOM 336 N VAL A 31 3.381 1.621 -8.975 1.00 0.00 N ATOM 337 CA VAL A 31 3.239 1.596 -7.530 1.00 0.00 C ATOM 338 C VAL A 31 1.805 1.886 -7.129 1.00 0.00 C ATOM 339 O VAL A 31 1.261 1.250 -6.225 1.00 0.00 O ATOM 340 CB VAL A 31 4.181 2.616 -6.856 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.039 2.567 -5.342 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.614 2.349 -7.267 1.00 0.00 C ATOM 0 H VAL A 31 3.837 2.459 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 31 3.512 0.596 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 31 3.902 3.617 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.713 3.295 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.011 2.803 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.291 1.568 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.271 3.074 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.899 1.342 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.705 2.439 -8.350 1.00 0.00 H new ATOM 352 N ALA A 32 1.175 2.802 -7.851 1.00 0.00 N ATOM 353 CA ALA A 32 -0.193 3.185 -7.560 1.00 0.00 C ATOM 354 C ALA A 32 -1.129 2.057 -7.949 1.00 0.00 C ATOM 355 O ALA A 32 -2.193 1.885 -7.371 1.00 0.00 O ATOM 356 CB ALA A 32 -0.562 4.467 -8.293 1.00 0.00 C ATOM 0 H ALA A 32 1.592 3.292 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.288 3.374 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.592 4.736 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.103 5.271 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.461 4.314 -9.367 1.00 0.00 H new ATOM 362 N GLU A 33 -0.707 1.286 -8.933 1.00 0.00 N ATOM 363 CA GLU A 33 -1.464 0.149 -9.398 1.00 0.00 C ATOM 364 C GLU A 33 -1.401 -0.998 -8.388 1.00 0.00 C ATOM 365 O GLU A 33 -2.416 -1.600 -8.069 1.00 0.00 O ATOM 366 CB GLU A 33 -0.930 -0.312 -10.749 1.00 0.00 C ATOM 367 CG GLU A 33 -1.685 -1.480 -11.351 1.00 0.00 C ATOM 368 CD GLU A 33 -1.094 -1.919 -12.662 1.00 0.00 C ATOM 369 OE1 GLU A 33 -1.468 -1.351 -13.704 1.00 0.00 O ATOM 370 OE2 GLU A 33 -0.243 -2.831 -12.655 1.00 0.00 O ATOM 0 H GLU A 33 0.171 1.434 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.506 0.450 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.964 0.526 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.118 -0.591 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.676 -2.316 -10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.728 -1.199 -11.500 1.00 0.00 H new ATOM 377 N ILE A 34 -0.209 -1.271 -7.860 1.00 0.00 N ATOM 378 CA ILE A 34 -0.029 -2.383 -6.930 1.00 0.00 C ATOM 379 C ILE A 34 -0.775 -2.122 -5.636 1.00 0.00 C ATOM 380 O ILE A 34 -1.465 -3.007 -5.111 1.00 0.00 O ATOM 381 CB ILE A 34 1.470 -2.653 -6.626 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.217 -3.023 -7.911 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.612 -3.765 -5.590 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.710 -3.208 -7.722 1.00 0.00 C ATOM 0 H ILE A 34 0.640 -0.742 -8.059 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.438 -3.271 -7.412 1.00 0.00 H new ATOM 0 HB ILE A 34 1.910 -1.742 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.795 -3.944 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.049 -2.244 -8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.669 -3.942 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.111 -3.470 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.158 -4.679 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.168 -3.468 -8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.147 -2.281 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.889 -4.008 -7.003 1.00 0.00 H new ATOM 396 N VAL A 35 -0.651 -0.902 -5.130 1.00 0.00 N ATOM 397 CA VAL A 35 -1.339 -0.519 -3.913 1.00 0.00 C ATOM 398 C VAL A 35 -2.850 -0.503 -4.124 1.00 0.00 C ATOM 399 O VAL A 35 -3.615 -0.667 -3.183 1.00 0.00 O ATOM 400 CB VAL A 35 -0.870 0.853 -3.376 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.619 0.835 -3.065 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.206 1.967 -4.351 1.00 0.00 C ATOM 0 H VAL A 35 -0.081 -0.165 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.087 -1.271 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.407 1.048 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.924 1.812 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.824 0.075 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.177 0.605 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.864 2.920 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.711 1.779 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.285 2.004 -4.504 1.00 0.00 H new ATOM 412 N ALA A 36 -3.272 -0.313 -5.368 1.00 0.00 N ATOM 413 CA ALA A 36 -4.683 -0.313 -5.691 1.00 0.00 C ATOM 414 C ALA A 36 -5.207 -1.737 -5.789 1.00 0.00 C ATOM 415 O ALA A 36 -6.249 -2.057 -5.223 1.00 0.00 O ATOM 416 CB ALA A 36 -4.938 0.437 -6.989 1.00 0.00 C ATOM 0 H ALA A 36 -2.654 -0.158 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.216 0.198 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.005 0.425 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.601 1.468 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.391 -0.044 -7.800 1.00 0.00 H new ATOM 422 N VAL A 37 -4.471 -2.593 -6.505 1.00 0.00 N ATOM 423 CA VAL A 37 -4.869 -3.985 -6.682 1.00 0.00 C ATOM 424 C VAL A 37 -5.092 -4.678 -5.340 1.00 0.00 C ATOM 425 O VAL A 37 -6.219 -5.029 -5.004 1.00 0.00 O ATOM 426 CB VAL A 37 -3.834 -4.786 -7.519 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.210 -6.263 -7.581 1.00 0.00 C ATOM 428 CG2 VAL A 37 -3.731 -4.216 -8.925 1.00 0.00 C ATOM 0 H VAL A 37 -3.598 -2.343 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.811 -3.967 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.864 -4.697 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.470 -6.802 -8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.238 -6.674 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.191 -6.370 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.002 -4.789 -9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.703 -4.275 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.414 -3.174 -8.873 1.00 0.00 H new ATOM 438 N MET A 38 -4.036 -4.868 -4.561 1.00 0.00 N ATOM 439 CA MET A 38 -4.178 -5.514 -3.268 1.00 0.00 C ATOM 440 C MET A 38 -4.915 -4.633 -2.282 1.00 0.00 C ATOM 441 O MET A 38 -5.647 -5.128 -1.445 1.00 0.00 O ATOM 442 CB MET A 38 -2.809 -5.895 -2.700 1.00 0.00 C ATOM 443 CG MET A 38 -1.972 -6.762 -3.629 1.00 0.00 C ATOM 444 SD MET A 38 -0.433 -7.319 -2.869 1.00 0.00 S ATOM 445 CE MET A 38 0.266 -5.765 -2.314 1.00 0.00 C ATOM 0 H MET A 38 -3.085 -4.588 -4.799 1.00 0.00 H new ATOM 0 HA MET A 38 -4.766 -6.419 -3.422 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.255 -4.984 -2.473 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.953 -6.424 -1.758 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.557 -7.630 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.742 -6.200 -4.534 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.353 -5.813 -2.375 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.098 -4.956 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.032 -5.580 -1.282 1.00 0.00 H new ATOM 455 N GLY A 39 -4.725 -3.328 -2.392 1.00 0.00 N ATOM 456 CA GLY A 39 -5.368 -2.402 -1.476 1.00 0.00 C ATOM 457 C GLY A 39 -6.876 -2.493 -1.521 1.00 0.00 C ATOM 458 O GLY A 39 -7.510 -2.792 -0.519 1.00 0.00 O ATOM 0 H GLY A 39 -4.136 -2.890 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.026 -2.604 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.062 -1.385 -1.719 1.00 0.00 H new ATOM 462 N ASN A 40 -7.440 -2.255 -2.690 1.00 0.00 N ATOM 463 CA ASN A 40 -8.891 -2.294 -2.878 1.00 0.00 C ATOM 464 C ASN A 40 -9.471 -3.654 -2.472 1.00 0.00 C ATOM 465 O ASN A 40 -10.567 -3.730 -1.925 1.00 0.00 O ATOM 466 CB ASN A 40 -9.249 -1.949 -4.332 1.00 0.00 C ATOM 467 CG ASN A 40 -9.558 -3.162 -5.198 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.711 -3.577 -5.332 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.536 -3.734 -5.784 1.00 0.00 N ATOM 0 H ASN A 40 -6.916 -2.030 -3.535 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.339 -1.544 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.113 -1.284 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.421 -1.398 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.680 -4.552 -6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.596 -3.361 -5.649 1.00 0.00 H new ATOM 476 N ALA A 41 -8.723 -4.719 -2.740 1.00 0.00 N ATOM 477 CA ALA A 41 -9.148 -6.061 -2.378 1.00 0.00 C ATOM 478 C ALA A 41 -9.076 -6.277 -0.870 1.00 0.00 C ATOM 479 O ALA A 41 -10.036 -6.736 -0.252 1.00 0.00 O ATOM 480 CB ALA A 41 -8.300 -7.094 -3.103 1.00 0.00 C ATOM 0 H ALA A 41 -7.818 -4.676 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.188 -6.180 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.628 -8.095 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.409 -6.964 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.254 -6.965 -2.826 1.00 0.00 H new ATOM 486 N SER A 42 -7.937 -5.929 -0.287 1.00 0.00 N ATOM 487 CA SER A 42 -7.722 -6.107 1.143 1.00 0.00 C ATOM 488 C SER A 42 -8.737 -5.321 1.963 1.00 0.00 C ATOM 489 O SER A 42 -9.394 -5.884 2.837 1.00 0.00 O ATOM 490 CB SER A 42 -6.286 -5.738 1.547 1.00 0.00 C ATOM 491 OG SER A 42 -5.953 -4.432 1.128 1.00 0.00 O ATOM 0 H SER A 42 -7.145 -5.521 -0.784 1.00 0.00 H new ATOM 0 HA SER A 42 -7.867 -7.165 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.180 -5.813 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.588 -6.451 1.109 1.00 0.00 H new ATOM 0 HG SER A 42 -5.754 -4.437 0.169 1.00 0.00 H new ATOM 497 N VAL A 43 -8.888 -4.026 1.670 1.00 0.00 N ATOM 498 CA VAL A 43 -9.841 -3.196 2.399 1.00 0.00 C ATOM 499 C VAL A 43 -11.261 -3.752 2.293 1.00 0.00 C ATOM 500 O VAL A 43 -12.016 -3.758 3.273 1.00 0.00 O ATOM 501 CB VAL A 43 -9.806 -1.706 1.942 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.450 -1.084 2.246 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.126 -1.569 0.463 1.00 0.00 C ATOM 0 H VAL A 43 -8.368 -3.538 0.941 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.534 -3.224 3.444 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.573 -1.173 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.445 -0.044 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.261 -1.129 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.671 -1.634 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.093 -0.517 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.393 -2.126 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.122 -1.966 0.268 1.00 0.00 H new ATOM 513 N ALA A 44 -11.612 -4.257 1.117 1.00 0.00 N ATOM 514 CA ALA A 44 -12.925 -4.831 0.892 1.00 0.00 C ATOM 515 C ALA A 44 -13.084 -6.145 1.641 1.00 0.00 C ATOM 516 O ALA A 44 -14.193 -6.614 1.855 1.00 0.00 O ATOM 517 CB ALA A 44 -13.152 -5.039 -0.601 1.00 0.00 C ATOM 0 H ALA A 44 -10.999 -4.279 0.302 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.674 -4.136 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.140 -5.470 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.086 -4.081 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.393 -5.715 -0.994 1.00 0.00 H new ATOM 523 N SER A 45 -11.972 -6.716 2.066 1.00 0.00 N ATOM 524 CA SER A 45 -11.983 -8.005 2.737 1.00 0.00 C ATOM 525 C SER A 45 -12.387 -7.895 4.208 1.00 0.00 C ATOM 526 O SER A 45 -12.778 -8.893 4.822 1.00 0.00 O ATOM 527 CB SER A 45 -10.613 -8.679 2.620 1.00 0.00 C ATOM 528 OG SER A 45 -10.266 -8.904 1.264 1.00 0.00 O ATOM 0 H SER A 45 -11.044 -6.306 1.958 1.00 0.00 H new ATOM 0 HA SER A 45 -12.735 -8.616 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.856 -8.054 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.624 -9.627 3.157 1.00 0.00 H new ATOM 0 HG SER A 45 -10.084 -8.046 0.826 1.00 0.00 H new ATOM 534 N ARG A 46 -12.280 -6.702 4.785 1.00 0.00 N ATOM 535 CA ARG A 46 -12.644 -6.532 6.190 1.00 0.00 C ATOM 536 C ARG A 46 -13.795 -5.538 6.350 1.00 0.00 C ATOM 537 O ARG A 46 -14.519 -5.574 7.348 1.00 0.00 O ATOM 538 CB ARG A 46 -11.433 -6.056 6.999 1.00 0.00 C ATOM 539 CG ARG A 46 -11.539 -6.318 8.502 1.00 0.00 C ATOM 540 CD ARG A 46 -11.095 -5.110 9.322 1.00 0.00 C ATOM 541 NE ARG A 46 -12.169 -4.122 9.452 1.00 0.00 N ATOM 542 CZ ARG A 46 -12.368 -3.099 8.621 1.00 0.00 C ATOM 543 NH1 ARG A 46 -11.511 -2.855 7.634 1.00 0.00 N ATOM 544 NH2 ARG A 46 -13.416 -2.306 8.793 1.00 0.00 N ATOM 0 H ARG A 46 -11.953 -5.857 4.317 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.973 -7.500 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.539 -6.550 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.300 -4.986 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.569 -6.570 8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.926 -7.180 8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.780 -5.438 10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.229 -4.647 8.849 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.812 -4.225 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.694 -3.453 7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.671 -2.070 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.067 -2.480 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.572 -1.522 8.159 1.00 0.00 H new ATOM 558 N ASP A 47 -13.971 -4.664 5.370 1.00 0.00 N ATOM 559 CA ASP A 47 -15.037 -3.671 5.429 1.00 0.00 C ATOM 560 C ASP A 47 -16.289 -4.144 4.719 1.00 0.00 C ATOM 561 O ASP A 47 -17.348 -4.259 5.337 1.00 0.00 O ATOM 562 CB ASP A 47 -14.588 -2.320 4.837 1.00 0.00 C ATOM 563 CG ASP A 47 -13.792 -1.471 5.816 1.00 0.00 C ATOM 564 OD1 ASP A 47 -14.409 -0.842 6.709 1.00 0.00 O ATOM 565 OD2 ASP A 47 -12.555 -1.426 5.705 1.00 0.00 O ATOM 0 H ASP A 47 -13.395 -4.621 4.529 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.269 -3.533 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.983 -2.503 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.467 -1.762 4.514 1.00 0.00 H new ATOM 570 N LEU A 48 -16.162 -4.414 3.409 1.00 0.00 N ATOM 571 CA LEU A 48 -17.308 -4.782 2.546 1.00 0.00 C ATOM 572 C LEU A 48 -18.231 -3.575 2.358 1.00 0.00 C ATOM 573 O LEU A 48 -19.317 -3.675 1.780 1.00 0.00 O ATOM 574 CB LEU A 48 -18.087 -5.989 3.110 1.00 0.00 C ATOM 575 CG LEU A 48 -17.357 -7.336 3.059 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.155 -8.402 3.788 1.00 0.00 C ATOM 577 CD2 LEU A 48 -17.115 -7.759 1.618 1.00 0.00 C ATOM 0 H LEU A 48 -15.269 -4.385 2.916 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.915 -5.082 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.347 -5.777 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.023 -6.083 2.559 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.393 -7.220 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.622 -9.351 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.286 -8.110 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.132 -8.511 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.596 -8.717 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.070 -7.855 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.505 -7.008 1.116 1.00 0.00 H new ATOM 589 N LYS A 49 -17.771 -2.435 2.854 1.00 0.00 N ATOM 590 CA LYS A 49 -18.495 -1.174 2.776 1.00 0.00 C ATOM 591 C LYS A 49 -17.528 -0.097 2.312 1.00 0.00 C ATOM 592 O LYS A 49 -17.823 1.099 2.361 1.00 0.00 O ATOM 593 CB LYS A 49 -19.019 -0.790 4.167 1.00 0.00 C ATOM 594 CG LYS A 49 -19.533 -1.960 4.985 1.00 0.00 C ATOM 595 CD LYS A 49 -19.681 -1.586 6.449 1.00 0.00 C ATOM 596 CE LYS A 49 -19.874 -2.818 7.315 1.00 0.00 C ATOM 597 NZ LYS A 49 -21.133 -3.538 6.994 1.00 0.00 N ATOM 0 H LYS A 49 -16.871 -2.359 3.329 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.332 -1.272 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.219 -0.298 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.822 -0.062 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.496 -2.287 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.848 -2.802 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.796 -1.042 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.532 -0.916 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.028 -3.491 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.883 -2.524 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.257 -4.332 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.938 -2.886 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.087 -3.901 6.020 1.00 0.00 H new ATOM 611 N ILE A 50 -16.371 -0.543 1.865 1.00 0.00 N ATOM 612 CA ILE A 50 -15.287 0.345 1.499 1.00 0.00 C ATOM 613 C ILE A 50 -15.460 0.900 0.064 1.00 0.00 C ATOM 614 O ILE A 50 -15.256 0.190 -0.929 1.00 0.00 O ATOM 615 CB ILE A 50 -13.908 -0.381 1.657 1.00 0.00 C ATOM 616 CG1 ILE A 50 -12.741 0.591 1.471 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.786 -1.573 0.726 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.363 1.331 2.739 1.00 0.00 C ATOM 0 H ILE A 50 -16.156 -1.533 1.745 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.311 1.197 2.179 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.863 -0.763 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.873 0.040 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.002 1.316 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.815 -2.048 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.576 -2.290 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.879 -1.239 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.529 2.002 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.217 1.910 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.071 0.613 3.506 1.00 0.00 H new ATOM 630 N GLU A 51 -15.941 2.144 -0.028 1.00 0.00 N ATOM 631 CA GLU A 51 -16.082 2.851 -1.305 1.00 0.00 C ATOM 632 C GLU A 51 -14.875 2.672 -2.212 1.00 0.00 C ATOM 633 O GLU A 51 -13.731 2.881 -1.806 1.00 0.00 O ATOM 634 CB GLU A 51 -16.298 4.338 -1.045 1.00 0.00 C ATOM 635 CG GLU A 51 -17.447 4.641 -0.104 1.00 0.00 C ATOM 636 CD GLU A 51 -17.494 6.099 0.287 1.00 0.00 C ATOM 637 OE1 GLU A 51 -16.664 6.517 1.117 1.00 0.00 O ATOM 638 OE2 GLU A 51 -18.360 6.831 -0.230 1.00 0.00 O ATOM 0 H GLU A 51 -16.243 2.689 0.780 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.942 2.420 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.382 4.760 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.479 4.840 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.387 4.364 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.351 4.029 0.793 1.00 0.00 H new ATOM 645 N GLN A 52 -15.149 2.291 -3.440 1.00 0.00 N ATOM 646 CA GLN A 52 -14.124 2.101 -4.432 1.00 0.00 C ATOM 647 C GLN A 52 -13.893 3.395 -5.189 1.00 0.00 C ATOM 648 O GLN A 52 -14.567 3.679 -6.180 1.00 0.00 O ATOM 649 CB GLN A 52 -14.525 0.984 -5.401 1.00 0.00 C ATOM 650 CG GLN A 52 -14.597 -0.392 -4.759 1.00 0.00 C ATOM 651 CD GLN A 52 -13.230 -0.926 -4.378 1.00 0.00 C ATOM 652 OE1 GLN A 52 -12.230 -0.623 -5.029 1.00 0.00 O ATOM 653 NE2 GLN A 52 -13.178 -1.720 -3.324 1.00 0.00 N ATOM 0 H GLN A 52 -16.094 2.105 -3.776 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.198 1.813 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.496 1.223 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.809 0.954 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.225 -0.342 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.076 -1.087 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.031 -1.946 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.284 -2.108 -3.021 1.00 0.00 H new ATOM 662 N SER A 53 -12.976 4.195 -4.701 1.00 0.00 N ATOM 663 CA SER A 53 -12.662 5.448 -5.346 1.00 0.00 C ATOM 664 C SER A 53 -11.151 5.672 -5.407 1.00 0.00 C ATOM 665 O SER A 53 -10.407 5.161 -4.565 1.00 0.00 O ATOM 666 CB SER A 53 -13.371 6.618 -4.638 1.00 0.00 C ATOM 667 OG SER A 53 -13.035 6.688 -3.262 1.00 0.00 O ATOM 0 H SER A 53 -12.434 4.001 -3.859 1.00 0.00 H new ATOM 0 HA SER A 53 -13.030 5.403 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.100 7.555 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.450 6.505 -4.742 1.00 0.00 H new ATOM 0 HG SER A 53 -13.159 7.606 -2.941 1.00 0.00 H new ATOM 673 N PRO A 54 -10.673 6.440 -6.420 1.00 0.00 N ATOM 674 CA PRO A 54 -9.237 6.745 -6.598 1.00 0.00 C ATOM 675 C PRO A 54 -8.644 7.478 -5.395 1.00 0.00 C ATOM 676 O PRO A 54 -7.428 7.594 -5.268 1.00 0.00 O ATOM 677 CB PRO A 54 -9.215 7.652 -7.836 1.00 0.00 C ATOM 678 CG PRO A 54 -10.481 7.343 -8.550 1.00 0.00 C ATOM 679 CD PRO A 54 -11.490 7.050 -7.486 1.00 0.00 C ATOM 0 HA PRO A 54 -8.641 5.839 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.165 8.704 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.347 7.447 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.797 8.184 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.356 6.489 -9.216 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.991 7.955 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.266 6.371 -7.840 1.00 0.00 H new ATOM 687 N GLU A 55 -9.520 7.965 -4.521 1.00 0.00 N ATOM 688 CA GLU A 55 -9.110 8.649 -3.302 1.00 0.00 C ATOM 689 C GLU A 55 -8.262 7.714 -2.458 1.00 0.00 C ATOM 690 O GLU A 55 -7.229 8.107 -1.905 1.00 0.00 O ATOM 691 CB GLU A 55 -10.340 9.078 -2.509 1.00 0.00 C ATOM 692 CG GLU A 55 -11.285 9.980 -3.277 1.00 0.00 C ATOM 693 CD GLU A 55 -12.604 10.160 -2.570 1.00 0.00 C ATOM 694 OE1 GLU A 55 -12.720 11.079 -1.728 1.00 0.00 O ATOM 695 OE2 GLU A 55 -13.539 9.380 -2.853 1.00 0.00 O ATOM 0 H GLU A 55 -10.531 7.896 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.528 9.532 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.883 8.188 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.015 9.594 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.817 10.954 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.460 9.560 -4.267 1.00 0.00 H new ATOM 702 N LEU A 56 -8.697 6.461 -2.383 1.00 0.00 N ATOM 703 CA LEU A 56 -7.980 5.449 -1.640 1.00 0.00 C ATOM 704 C LEU A 56 -6.615 5.223 -2.263 1.00 0.00 C ATOM 705 O LEU A 56 -5.601 5.358 -1.597 1.00 0.00 O ATOM 706 CB LEU A 56 -8.768 4.123 -1.591 1.00 0.00 C ATOM 707 CG LEU A 56 -9.994 4.074 -0.653 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.604 4.425 0.774 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.111 4.985 -1.146 1.00 0.00 C ATOM 0 H LEU A 56 -9.549 6.127 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.857 5.802 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.104 3.890 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.081 3.331 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.371 3.051 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.486 4.383 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.861 3.713 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.185 5.431 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.958 4.925 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.750 6.013 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.425 4.670 -2.141 1.00 0.00 H new ATOM 721 N SER A 57 -6.602 4.924 -3.560 1.00 0.00 N ATOM 722 CA SER A 57 -5.363 4.659 -4.310 1.00 0.00 C ATOM 723 C SER A 57 -4.406 5.873 -4.333 1.00 0.00 C ATOM 724 O SER A 57 -3.279 5.776 -4.822 1.00 0.00 O ATOM 725 CB SER A 57 -5.716 4.260 -5.738 1.00 0.00 C ATOM 726 OG SER A 57 -6.739 3.275 -5.750 1.00 0.00 O ATOM 0 H SER A 57 -7.447 4.857 -4.127 1.00 0.00 H new ATOM 0 HA SER A 57 -4.840 3.849 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.044 5.138 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.829 3.876 -6.242 1.00 0.00 H new ATOM 0 HG SER A 57 -6.951 3.035 -6.676 1.00 0.00 H new ATOM 732 N ALA A 58 -4.850 6.993 -3.800 1.00 0.00 N ATOM 733 CA ALA A 58 -4.046 8.200 -3.779 1.00 0.00 C ATOM 734 C ALA A 58 -3.444 8.410 -2.396 1.00 0.00 C ATOM 735 O ALA A 58 -2.294 8.827 -2.255 1.00 0.00 O ATOM 736 CB ALA A 58 -4.880 9.406 -4.187 1.00 0.00 C ATOM 0 H ALA A 58 -5.770 7.093 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.234 8.087 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.259 10.302 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.266 9.257 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.712 9.524 -3.493 1.00 0.00 H new ATOM 742 N LYS A 59 -4.227 8.097 -1.377 1.00 0.00 N ATOM 743 CA LYS A 59 -3.811 8.288 0.004 1.00 0.00 C ATOM 744 C LYS A 59 -3.156 7.024 0.575 1.00 0.00 C ATOM 745 O LYS A 59 -2.276 7.106 1.438 1.00 0.00 O ATOM 746 CB LYS A 59 -5.019 8.697 0.857 1.00 0.00 C ATOM 747 CG LYS A 59 -4.691 8.990 2.317 1.00 0.00 C ATOM 748 CD LYS A 59 -5.921 9.463 3.084 1.00 0.00 C ATOM 749 CE LYS A 59 -7.015 8.404 3.101 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.231 8.871 3.808 1.00 0.00 N ATOM 0 H LYS A 59 -5.163 7.706 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.065 9.083 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.477 9.582 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.762 7.901 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.291 8.092 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.913 9.752 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.639 9.711 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.305 10.376 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.273 8.133 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.639 7.502 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.950 8.119 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.992 9.105 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.606 9.716 3.332 1.00 0.00 H new ATOM 764 N VAL A 60 -3.568 5.863 0.068 1.00 0.00 N ATOM 765 CA VAL A 60 -3.063 4.574 0.554 1.00 0.00 C ATOM 766 C VAL A 60 -1.566 4.406 0.278 1.00 0.00 C ATOM 767 O VAL A 60 -0.919 3.593 0.893 1.00 0.00 O ATOM 768 CB VAL A 60 -3.846 3.369 -0.054 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.464 3.134 -1.511 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.638 2.106 0.775 1.00 0.00 C ATOM 0 H VAL A 60 -4.254 5.786 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.220 4.578 1.633 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.906 3.620 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.028 2.288 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.693 4.025 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.397 2.921 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.195 1.282 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.577 1.857 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.993 2.275 1.792 1.00 0.00 H new ATOM 780 N VAL A 61 -1.041 5.167 -0.670 1.00 0.00 N ATOM 781 CA VAL A 61 0.385 5.110 -0.987 1.00 0.00 C ATOM 782 C VAL A 61 1.117 6.325 -0.391 1.00 0.00 C ATOM 783 O VAL A 61 2.331 6.308 -0.194 1.00 0.00 O ATOM 784 CB VAL A 61 0.624 5.036 -2.520 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.165 6.311 -3.218 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.086 4.734 -2.837 1.00 0.00 C ATOM 0 H VAL A 61 -1.575 5.829 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 61 0.788 4.200 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 61 0.021 4.214 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.347 6.225 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.900 6.459 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.720 7.162 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.222 4.688 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.718 5.521 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.364 3.777 -2.396 1.00 0.00 H new ATOM 796 N GLU A 62 0.346 7.350 -0.065 1.00 0.00 N ATOM 797 CA GLU A 62 0.892 8.603 0.430 1.00 0.00 C ATOM 798 C GLU A 62 1.192 8.513 1.918 1.00 0.00 C ATOM 799 O GLU A 62 2.338 8.649 2.348 1.00 0.00 O ATOM 800 CB GLU A 62 -0.084 9.747 0.143 1.00 0.00 C ATOM 801 CG GLU A 62 0.381 11.104 0.639 1.00 0.00 C ATOM 802 CD GLU A 62 -0.529 12.224 0.191 1.00 0.00 C ATOM 803 OE1 GLU A 62 -1.650 12.343 0.735 1.00 0.00 O ATOM 804 OE2 GLU A 62 -0.133 12.988 -0.710 1.00 0.00 O ATOM 0 H GLU A 62 -0.671 7.337 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 62 1.830 8.803 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.252 9.804 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.044 9.514 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.430 11.093 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.391 11.294 0.277 1.00 0.00 H new ATOM 811 N LYS A 63 0.158 8.258 2.697 1.00 0.00 N ATOM 812 CA LYS A 63 0.290 8.161 4.139 1.00 0.00 C ATOM 813 C LYS A 63 1.021 6.874 4.512 1.00 0.00 C ATOM 814 O LYS A 63 1.672 6.789 5.554 1.00 0.00 O ATOM 815 CB LYS A 63 -1.097 8.205 4.781 1.00 0.00 C ATOM 816 CG LYS A 63 -1.080 8.239 6.291 1.00 0.00 C ATOM 817 CD LYS A 63 -2.464 8.512 6.851 1.00 0.00 C ATOM 818 CE LYS A 63 -2.444 8.570 8.365 1.00 0.00 C ATOM 819 NZ LYS A 63 -3.756 8.978 8.926 1.00 0.00 N ATOM 0 H LYS A 63 -0.791 8.113 2.352 1.00 0.00 H new ATOM 0 HA LYS A 63 0.875 9.003 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.627 9.085 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.664 7.333 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.711 7.288 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.389 9.010 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.840 9.455 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.151 7.732 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.169 7.592 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.677 9.273 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.697 9.004 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.008 9.922 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.484 8.294 8.638 1.00 0.00 H new ATOM 833 N LEU A 64 0.898 5.890 3.642 1.00 0.00 N ATOM 834 CA LEU A 64 1.547 4.596 3.814 1.00 0.00 C ATOM 835 C LEU A 64 3.044 4.749 4.061 1.00 0.00 C ATOM 836 O LEU A 64 3.550 4.338 5.100 1.00 0.00 O ATOM 837 CB LEU A 64 1.321 3.730 2.587 1.00 0.00 C ATOM 838 CG LEU A 64 1.821 2.298 2.670 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.004 1.522 3.674 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.766 1.631 1.302 1.00 0.00 C ATOM 0 H LEU A 64 0.343 5.962 2.790 1.00 0.00 H new ATOM 0 HA LEU A 64 1.104 4.118 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.252 3.707 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.802 4.211 1.736 1.00 0.00 H new ATOM 0 HG LEU A 64 2.860 2.309 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.370 0.497 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.093 1.990 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.042 1.519 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.128 0.606 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.738 1.625 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.393 2.184 0.602 1.00 0.00 H new ATOM 852 N ASN A 65 3.740 5.391 3.122 1.00 0.00 N ATOM 853 CA ASN A 65 5.195 5.537 3.214 1.00 0.00 C ATOM 854 C ASN A 65 5.589 6.330 4.452 1.00 0.00 C ATOM 855 O ASN A 65 6.667 6.145 4.994 1.00 0.00 O ATOM 856 CB ASN A 65 5.757 6.201 1.958 1.00 0.00 C ATOM 857 CG ASN A 65 7.280 6.304 1.972 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.973 5.430 2.496 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.805 7.374 1.409 1.00 0.00 N ATOM 0 H ASN A 65 3.324 5.816 2.293 1.00 0.00 H new ATOM 0 HA ASN A 65 5.623 4.538 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.444 5.633 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.331 7.199 1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.817 7.499 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.199 8.076 0.985 1.00 0.00 H new ATOM 866 N GLN A 66 4.696 7.196 4.904 1.00 0.00 N ATOM 867 CA GLN A 66 4.941 7.980 6.102 1.00 0.00 C ATOM 868 C GLN A 66 5.079 7.041 7.293 1.00 0.00 C ATOM 869 O GLN A 66 6.030 7.123 8.064 1.00 0.00 O ATOM 870 CB GLN A 66 3.788 8.961 6.338 1.00 0.00 C ATOM 871 CG GLN A 66 4.225 10.337 6.815 1.00 0.00 C ATOM 872 CD GLN A 66 4.780 11.206 5.690 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.364 10.585 4.680 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 4.673 12.429 5.731 1.00 0.00 N flip ATOM 0 H GLN A 66 3.795 7.373 4.459 1.00 0.00 H new ATOM 0 HA GLN A 66 5.861 8.552 5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.226 9.072 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.107 8.533 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.376 10.844 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.985 10.224 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.216 12.875 6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.041 12.999 4.969 1.00 0.00 H new ATOM 883 N VAL A 67 4.112 6.149 7.421 1.00 0.00 N ATOM 884 CA VAL A 67 4.106 5.142 8.474 1.00 0.00 C ATOM 885 C VAL A 67 5.316 4.212 8.349 1.00 0.00 C ATOM 886 O VAL A 67 5.975 3.886 9.345 1.00 0.00 O ATOM 887 CB VAL A 67 2.814 4.293 8.421 1.00 0.00 C ATOM 888 CG1 VAL A 67 2.772 3.288 9.560 1.00 0.00 C ATOM 889 CG2 VAL A 67 1.579 5.184 8.447 1.00 0.00 C ATOM 0 H VAL A 67 3.306 6.101 6.798 1.00 0.00 H new ATOM 0 HA VAL A 67 4.152 5.670 9.426 1.00 0.00 H new ATOM 0 HB VAL A 67 2.818 3.739 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.853 2.705 9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.631 2.620 9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.802 3.816 10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.683 4.565 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.574 5.773 9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.595 5.853 7.587 1.00 0.00 H new ATOM 899 N CYS A 68 5.606 3.798 7.126 1.00 0.00 N ATOM 900 CA CYS A 68 6.711 2.893 6.856 1.00 0.00 C ATOM 901 C CYS A 68 8.057 3.555 7.142 1.00 0.00 C ATOM 902 O CYS A 68 8.984 2.906 7.605 1.00 0.00 O ATOM 903 CB CYS A 68 6.633 2.424 5.417 1.00 0.00 C ATOM 904 SG CYS A 68 4.980 1.811 4.963 1.00 0.00 S ATOM 0 H CYS A 68 5.084 4.079 6.296 1.00 0.00 H new ATOM 0 HA CYS A 68 6.631 2.033 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.904 3.247 4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.365 1.633 5.257 1.00 0.00 H new ATOM 909 N ALA A 69 8.160 4.844 6.841 1.00 0.00 N ATOM 910 CA ALA A 69 9.369 5.615 7.141 1.00 0.00 C ATOM 911 C ALA A 69 9.702 5.583 8.634 1.00 0.00 C ATOM 912 O ALA A 69 10.841 5.821 9.030 1.00 0.00 O ATOM 913 CB ALA A 69 9.211 7.051 6.667 1.00 0.00 C ATOM 0 H ALA A 69 7.421 5.382 6.388 1.00 0.00 H new ATOM 0 HA ALA A 69 10.198 5.152 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.117 7.612 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.040 7.062 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.362 7.510 7.174 1.00 0.00 H new ATOM 919 N LYS A 70 8.704 5.274 9.454 1.00 0.00 N ATOM 920 CA LYS A 70 8.892 5.204 10.896 1.00 0.00 C ATOM 921 C LYS A 70 9.331 3.800 11.310 1.00 0.00 C ATOM 922 O LYS A 70 10.017 3.621 12.321 1.00 0.00 O ATOM 923 CB LYS A 70 7.596 5.574 11.620 1.00 0.00 C ATOM 924 CG LYS A 70 7.018 6.921 11.214 1.00 0.00 C ATOM 925 CD LYS A 70 5.697 7.193 11.918 1.00 0.00 C ATOM 926 CE LYS A 70 5.896 7.479 13.400 1.00 0.00 C ATOM 927 NZ LYS A 70 4.603 7.562 14.123 1.00 0.00 N ATOM 0 H LYS A 70 7.755 5.068 9.143 1.00 0.00 H new ATOM 0 HA LYS A 70 9.670 5.914 11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.853 4.800 11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.782 5.580 12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.729 7.711 11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.868 6.944 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.202 8.042 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.038 6.333 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.510 6.695 13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.440 8.416 13.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.780 7.758 15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.027 8.327 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.095 6.659 14.030 1.00 0.00 H new ATOM 941 N ASP A 71 8.939 2.807 10.524 1.00 0.00 N ATOM 942 CA ASP A 71 9.279 1.417 10.811 1.00 0.00 C ATOM 943 C ASP A 71 9.527 0.656 9.513 1.00 0.00 C ATOM 944 O ASP A 71 8.583 0.241 8.834 1.00 0.00 O ATOM 945 CB ASP A 71 8.167 0.745 11.622 1.00 0.00 C ATOM 946 CG ASP A 71 8.473 -0.703 11.955 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.397 -0.954 12.757 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.772 -1.592 11.444 1.00 0.00 O ATOM 0 H ASP A 71 8.383 2.937 9.679 1.00 0.00 H new ATOM 0 HA ASP A 71 10.192 1.400 11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.012 1.301 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.234 0.794 11.061 1.00 0.00 H new ATOM 953 N PRO A 72 10.808 0.481 9.143 1.00 0.00 N ATOM 954 CA PRO A 72 11.204 -0.193 7.891 1.00 0.00 C ATOM 955 C PRO A 72 10.757 -1.653 7.823 1.00 0.00 C ATOM 956 O PRO A 72 10.751 -2.256 6.755 1.00 0.00 O ATOM 957 CB PRO A 72 12.737 -0.113 7.906 1.00 0.00 C ATOM 958 CG PRO A 72 13.053 0.985 8.860 1.00 0.00 C ATOM 959 CD PRO A 72 11.980 0.944 9.902 1.00 0.00 C ATOM 0 HA PRO A 72 10.739 0.281 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.179 -1.056 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.131 0.101 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.037 0.843 9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.069 1.950 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.231 0.262 10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.812 1.924 10.348 1.00 0.00 H new ATOM 967 N GLN A 73 10.395 -2.220 8.964 1.00 0.00 N ATOM 968 CA GLN A 73 9.940 -3.607 9.028 1.00 0.00 C ATOM 969 C GLN A 73 8.583 -3.811 8.333 1.00 0.00 C ATOM 970 O GLN A 73 8.069 -4.930 8.276 1.00 0.00 O ATOM 971 CB GLN A 73 9.866 -4.058 10.480 1.00 0.00 C ATOM 972 CG GLN A 73 11.173 -3.875 11.229 1.00 0.00 C ATOM 973 CD GLN A 73 11.067 -4.251 12.684 1.00 0.00 C ATOM 974 OE1 GLN A 73 11.320 -5.392 13.063 1.00 0.00 O ATOM 975 NE2 GLN A 73 10.680 -3.302 13.506 1.00 0.00 N ATOM 0 H GLN A 73 10.407 -1.741 9.864 1.00 0.00 H new ATOM 0 HA GLN A 73 10.666 -4.217 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.082 -3.498 10.988 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.579 -5.109 10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.946 -4.482 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.490 -2.835 11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.480 -2.368 13.149 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.579 -3.499 14.502 1.00 0.00 H new ATOM 984 N MET A 74 8.012 -2.735 7.812 1.00 0.00 N ATOM 985 CA MET A 74 6.737 -2.806 7.115 1.00 0.00 C ATOM 986 C MET A 74 6.910 -3.157 5.641 1.00 0.00 C ATOM 987 O MET A 74 7.308 -2.316 4.823 1.00 0.00 O ATOM 988 CB MET A 74 5.956 -1.498 7.253 1.00 0.00 C ATOM 989 CG MET A 74 5.032 -1.463 8.456 1.00 0.00 C ATOM 990 SD MET A 74 3.743 -2.727 8.361 1.00 0.00 S ATOM 991 CE MET A 74 2.847 -2.417 9.880 1.00 0.00 C ATOM 0 H MET A 74 8.414 -1.799 7.859 1.00 0.00 H new ATOM 0 HA MET A 74 6.167 -3.607 7.587 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.661 -0.670 7.324 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.368 -1.339 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.616 -1.609 9.365 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.569 -0.479 8.529 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.019 -3.121 9.964 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.518 -2.543 10.730 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.459 -1.399 9.872 1.00 0.00 H new ATOM 1001 N LEU A 75 6.618 -4.406 5.311 1.00 0.00 N ATOM 1002 CA LEU A 75 6.663 -4.874 3.934 1.00 0.00 C ATOM 1003 C LEU A 75 5.450 -4.343 3.199 1.00 0.00 C ATOM 1004 O LEU A 75 4.500 -3.895 3.827 1.00 0.00 O ATOM 1005 CB LEU A 75 6.669 -6.403 3.901 1.00 0.00 C ATOM 1006 CG LEU A 75 7.836 -7.072 4.628 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.643 -8.579 4.670 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.154 -6.723 3.952 1.00 0.00 C ATOM 0 H LEU A 75 6.345 -5.120 5.986 1.00 0.00 H new ATOM 0 HA LEU A 75 7.572 -4.514 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.737 -6.762 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.678 -6.727 2.860 1.00 0.00 H new ATOM 0 HG LEU A 75 7.864 -6.699 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.483 -9.039 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.717 -8.813 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.590 -8.968 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.974 -7.207 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.136 -7.069 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.298 -5.643 3.971 1.00 0.00 H new ATOM 1020 N LEU A 76 5.472 -4.397 1.878 1.00 0.00 N ATOM 1021 CA LEU A 76 4.355 -3.878 1.090 1.00 0.00 C ATOM 1022 C LEU A 76 3.052 -4.599 1.441 1.00 0.00 C ATOM 1023 O LEU A 76 1.992 -3.979 1.533 1.00 0.00 O ATOM 1024 CB LEU A 76 4.640 -3.998 -0.409 1.00 0.00 C ATOM 1025 CG LEU A 76 3.593 -3.362 -1.330 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.522 -1.856 -1.108 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.899 -3.672 -2.781 1.00 0.00 C ATOM 0 H LEU A 76 6.238 -4.788 1.330 1.00 0.00 H new ATOM 0 HA LEU A 76 4.240 -2.822 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.607 -3.540 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.727 -5.055 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 76 2.621 -3.789 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.773 -1.425 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.249 -1.653 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.494 -1.411 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.144 -3.212 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.882 -3.276 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.892 -4.751 -2.932 1.00 0.00 H new ATOM 1039 N ILE A 77 3.147 -5.902 1.659 1.00 0.00 N ATOM 1040 CA ILE A 77 1.986 -6.713 2.002 1.00 0.00 C ATOM 1041 C ILE A 77 1.382 -6.289 3.344 1.00 0.00 C ATOM 1042 O ILE A 77 0.171 -6.098 3.452 1.00 0.00 O ATOM 1043 CB ILE A 77 2.346 -8.225 2.056 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.787 -8.727 0.675 1.00 0.00 C ATOM 1045 CG2 ILE A 77 1.171 -9.052 2.578 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.711 -8.634 -0.390 1.00 0.00 C ATOM 0 H ILE A 77 4.022 -6.424 1.604 1.00 0.00 H new ATOM 0 HA ILE A 77 1.248 -6.551 1.216 1.00 0.00 H new ATOM 0 HB ILE A 77 3.178 -8.347 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.654 -8.152 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.108 -9.765 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.451 -10.105 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.910 -8.720 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.313 -8.922 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.102 -9.008 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.850 -9.233 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.406 -7.594 -0.509 1.00 0.00 H new ATOM 1058 N THR A 78 2.224 -6.120 4.353 1.00 0.00 N ATOM 1059 CA THR A 78 1.738 -5.793 5.683 1.00 0.00 C ATOM 1060 C THR A 78 1.354 -4.325 5.809 1.00 0.00 C ATOM 1061 O THR A 78 0.370 -3.995 6.462 1.00 0.00 O ATOM 1062 CB THR A 78 2.763 -6.167 6.764 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.057 -5.674 6.401 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.827 -7.674 6.944 1.00 0.00 C ATOM 0 H THR A 78 3.238 -6.203 4.277 1.00 0.00 H new ATOM 0 HA THR A 78 0.838 -6.388 5.837 1.00 0.00 H new ATOM 0 HB THR A 78 2.450 -5.714 7.705 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.222 -4.821 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.559 -7.918 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.847 -8.047 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.121 -8.141 6.004 1.00 0.00 H new ATOM 1072 N ALA A 79 2.146 -3.453 5.200 1.00 0.00 N ATOM 1073 CA ALA A 79 1.887 -2.014 5.221 1.00 0.00 C ATOM 1074 C ALA A 79 0.467 -1.670 4.757 1.00 0.00 C ATOM 1075 O ALA A 79 -0.260 -0.942 5.442 1.00 0.00 O ATOM 1076 CB ALA A 79 2.918 -1.287 4.378 1.00 0.00 C ATOM 0 H ALA A 79 2.982 -3.718 4.679 1.00 0.00 H new ATOM 0 HA ALA A 79 1.970 -1.681 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.716 -0.216 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.914 -1.477 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.865 -1.645 3.350 1.00 0.00 H new ATOM 1082 N ILE A 80 0.069 -2.196 3.601 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.275 -1.942 3.075 1.00 0.00 C ATOM 1084 C ILE A 80 -2.323 -2.583 3.984 1.00 0.00 C ATOM 1085 O ILE A 80 -3.390 -2.018 4.236 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.431 -2.485 1.630 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.394 -1.834 0.706 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.843 -2.231 1.110 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.427 -2.354 -0.716 1.00 0.00 C ATOM 0 H ILE A 80 0.649 -2.795 3.014 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.425 -0.863 3.049 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.261 -3.562 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.559 -0.757 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.601 -1.999 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.932 -2.619 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.564 -2.733 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.043 -1.159 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.335 -1.846 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.231 -3.426 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.409 -2.165 -1.150 1.00 0.00 H new ATOM 1101 N ASP A 81 -1.989 -3.750 4.493 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.848 -4.481 5.413 1.00 0.00 C ATOM 1103 C ASP A 81 -3.054 -3.675 6.704 1.00 0.00 C ATOM 1104 O ASP A 81 -4.118 -3.719 7.323 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.208 -5.844 5.718 1.00 0.00 C ATOM 1106 CG ASP A 81 -2.965 -6.665 6.739 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -2.762 -6.447 7.948 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.733 -7.568 6.341 1.00 0.00 O ATOM 0 H ASP A 81 -1.111 -4.224 4.282 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.826 -4.638 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.133 -6.414 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.191 -5.684 6.077 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.029 -2.918 7.082 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.057 -2.110 8.298 1.00 0.00 C ATOM 1115 C ASP A 82 -2.843 -0.816 8.097 1.00 0.00 C ATOM 1116 O ASP A 82 -3.599 -0.405 8.976 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.636 -1.796 8.772 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.612 -0.967 10.041 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.854 -1.530 11.134 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.345 0.244 9.959 1.00 0.00 O ATOM 0 H ASP A 82 -1.158 -2.847 6.556 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.564 -2.695 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.100 -2.730 8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.104 -1.262 7.984 1.00 0.00 H new ATOM 1125 N THR A 83 -2.683 -0.181 6.940 1.00 0.00 N ATOM 1126 CA THR A 83 -3.398 1.048 6.659 1.00 0.00 C ATOM 1127 C THR A 83 -4.900 0.796 6.563 1.00 0.00 C ATOM 1128 O THR A 83 -5.708 1.682 6.856 1.00 0.00 O ATOM 1129 CB THR A 83 -2.880 1.733 5.383 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.442 0.745 4.446 1.00 0.00 O ATOM 1131 CG2 THR A 83 -1.733 2.678 5.709 1.00 0.00 C ATOM 0 H THR A 83 -2.068 -0.498 6.190 1.00 0.00 H new ATOM 0 HA THR A 83 -3.214 1.726 7.493 1.00 0.00 H new ATOM 0 HB THR A 83 -3.693 2.312 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.022 -0.043 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.381 3.152 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.078 3.443 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.917 2.116 6.164 1.00 0.00 H new ATOM 1139 N MET A 84 -5.274 -0.429 6.173 1.00 0.00 N ATOM 1140 CA MET A 84 -6.680 -0.821 6.136 1.00 0.00 C ATOM 1141 C MET A 84 -7.268 -0.785 7.540 1.00 0.00 C ATOM 1142 O MET A 84 -8.452 -0.569 7.719 1.00 0.00 O ATOM 1143 CB MET A 84 -6.861 -2.229 5.564 1.00 0.00 C ATOM 1144 CG MET A 84 -8.306 -2.708 5.617 1.00 0.00 C ATOM 1145 SD MET A 84 -8.472 -4.487 5.428 1.00 0.00 S ATOM 1146 CE MET A 84 -7.659 -5.048 6.915 1.00 0.00 C ATOM 0 H MET A 84 -4.624 -1.159 5.881 1.00 0.00 H new ATOM 0 HA MET A 84 -7.197 -0.113 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.516 -2.243 4.530 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.232 -2.925 6.119 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.746 -2.408 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.875 -2.211 4.831 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.076 -6.009 7.217 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.591 -5.159 6.726 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.813 -4.319 7.711 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.425 -1.002 8.532 1.00 0.00 N ATOM 1157 CA ARG A 85 -6.861 -0.979 9.914 1.00 0.00 C ATOM 1158 C ARG A 85 -7.137 0.452 10.334 1.00 0.00 C ATOM 1159 O ARG A 85 -8.119 0.738 11.021 1.00 0.00 O ATOM 1160 CB ARG A 85 -5.795 -1.593 10.820 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.365 -2.987 10.402 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.291 -3.533 11.324 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.769 -3.654 12.701 1.00 0.00 N ATOM 1164 CZ ARG A 85 -5.063 -4.813 13.295 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -4.931 -5.956 12.631 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -5.494 -4.827 14.547 1.00 0.00 N ATOM 0 H ARG A 85 -5.432 -1.197 8.405 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.774 -1.567 10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.921 -0.941 10.831 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.177 -1.631 11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.227 -3.654 10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.991 -2.963 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.965 -4.509 10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.421 -2.877 11.297 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.885 -2.797 13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.604 -5.950 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.156 -6.840 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.602 -3.951 15.059 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.718 -5.713 14.999 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.263 1.350 9.903 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.394 2.765 10.195 1.00 0.00 C ATOM 1182 C ALA A 86 -7.635 3.361 9.537 1.00 0.00 C ATOM 1183 O ALA A 86 -8.372 4.130 10.166 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.152 3.508 9.747 1.00 0.00 C ATOM 0 H ALA A 86 -5.444 1.116 9.341 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.506 2.875 11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.262 4.569 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.283 3.114 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.017 3.376 8.673 1.00 0.00 H new ATOM 1190 N ILE A 87 -7.873 3.020 8.276 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.044 3.541 7.564 1.00 0.00 C ATOM 1192 C ILE A 87 -10.255 2.631 7.760 1.00 0.00 C ATOM 1193 O ILE A 87 -11.355 2.934 7.301 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.774 3.706 6.048 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.484 2.347 5.398 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -7.616 4.670 5.818 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.300 2.412 3.896 1.00 0.00 C ATOM 0 H ILE A 87 -7.283 2.394 7.728 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.253 4.523 7.988 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.667 4.121 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.584 1.925 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.303 1.665 5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.438 4.776 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.863 5.643 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.718 4.281 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.099 1.413 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.207 2.803 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.462 3.068 3.660 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.043 1.526 8.448 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.104 0.579 8.686 1.00 0.00 C ATOM 1211 C GLY A 88 -11.880 0.913 9.925 1.00 0.00 C ATOM 1212 O GLY A 88 -11.512 0.503 11.035 1.00 0.00 O ATOM 0 H GLY A 88 -9.143 1.266 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.777 0.564 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.684 -0.422 8.779 1.00 0.00 H new ATOM 1216 N LYS A 89 -12.946 1.663 9.748 1.00 0.00 N ATOM 1217 CA LYS A 89 -13.783 2.084 10.851 1.00 0.00 C ATOM 1218 C LYS A 89 -14.472 0.896 11.497 1.00 0.00 C ATOM 1219 O LYS A 89 -15.217 0.161 10.842 1.00 0.00 O ATOM 1220 CB LYS A 89 -14.822 3.091 10.373 1.00 0.00 C ATOM 1221 CG LYS A 89 -14.226 4.371 9.821 1.00 0.00 C ATOM 1222 CD LYS A 89 -15.304 5.290 9.289 1.00 0.00 C ATOM 1223 CE LYS A 89 -14.715 6.570 8.736 1.00 0.00 C ATOM 1224 NZ LYS A 89 -15.755 7.432 8.129 1.00 0.00 N ATOM 0 H LYS A 89 -13.257 1.998 8.836 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.144 2.557 11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.437 2.626 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.484 3.338 11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.663 4.880 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.521 4.133 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.867 4.779 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.009 5.527 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.212 7.114 9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.959 6.330 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.315 8.300 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.218 6.921 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.463 7.681 8.849 1.00 0.00 H new ATOM 1238 N LYS A 90 -14.212 0.708 12.772 1.00 0.00 N ATOM 1239 CA LYS A 90 -14.820 -0.360 13.527 1.00 0.00 C ATOM 1240 C LYS A 90 -15.962 0.200 14.355 1.00 0.00 C ATOM 1241 O LYS A 90 -17.132 -0.089 14.035 1.00 0.00 O ATOM 1242 CB LYS A 90 -13.784 -1.034 14.432 1.00 0.00 C ATOM 1243 CG LYS A 90 -14.350 -2.154 15.288 1.00 0.00 C ATOM 1244 CD LYS A 90 -13.299 -2.719 16.224 1.00 0.00 C ATOM 1245 CE LYS A 90 -13.872 -3.817 17.103 1.00 0.00 C ATOM 1246 NZ LYS A 90 -12.850 -4.382 18.017 1.00 0.00 N ATOM 1247 OXT LYS A 90 -15.684 0.974 15.296 1.00 0.00 O ATOM 0 H LYS A 90 -13.573 1.292 13.312 1.00 0.00 H new ATOM 0 HA LYS A 90 -15.208 -1.111 12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.981 -1.434 13.813 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.340 -0.281 15.083 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.193 -1.780 15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.732 -2.948 14.646 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.466 -3.114 15.642 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.900 -1.921 16.850 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.701 -3.419 17.687 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.277 -4.611 16.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.280 -5.128 18.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.070 -4.785 17.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.482 -3.630 18.634 1.00 0.00 H new TER 1261 LYS A 90