USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 20 ASN : amide:sc= 0.311 K(o=0.79,f=-3) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -129:sc= 0.483 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0816 X(o=-0.082,f=0) USER MOD Single : A 8 THR OG1 : rot 73:sc= 0.687 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-1.2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0184) USER MOD Single : A 36 ASN : amide:sc= -1.94 K(o=-1.9,f=-5!) USER MOD Single : A 37 SER OG : rot 27:sc= 0.0333 USER MOD Single : A 40 THR OG1 : rot 74:sc= 0.132 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.995 K(o=1,f=0) USER MOD Single : A 49 THR OG1 : rot 72:sc= 0.921 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00878) USER MOD Single : A 53 SER OG : rot 74:sc= 0.64 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.58) USER MOD Single : A 79 TYR OH : rot -130:sc= -0.113 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -22:sc= 0.493 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00841 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 5.131 -14.385 3.731 1.00 -0.46 N ATOM 14 CA ILE A 2 4.752 -12.987 3.493 1.00 0.04 C ATOM 15 C ILE A 2 3.677 -12.566 4.480 1.00 0.62 C ATOM 16 O ILE A 2 2.715 -13.302 4.625 1.00 -0.50 O ATOM 17 CB ILE A 2 4.361 -12.615 2.013 1.00 -0.01 C ATOM 18 CG1 ILE A 2 4.048 -13.800 1.040 1.00 -0.05 C ATOM 19 CG2 ILE A 2 5.436 -11.696 1.364 1.00 -0.09 C ATOM 20 CD1 ILE A 2 2.903 -14.757 1.486 1.00 -0.09 C ATOM 0 HA ILE A 2 5.664 -12.413 3.660 1.00 0.04 H new ATOM 0 HB ILE A 2 3.411 -12.097 2.141 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 3.792 -13.387 0.065 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 4.957 -14.387 0.908 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 5.140 -11.455 0.343 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 5.526 -10.776 1.942 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 6.396 -12.212 1.352 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 2.772 -15.540 0.739 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 3.159 -15.209 2.444 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 1.976 -14.193 1.587 1.00 -0.09 H new ATOM 32 N THR A 3 3.805 -11.411 5.178 1.00 -0.46 N ATOM 33 CA THR A 3 2.805 -10.992 6.164 1.00 0.04 C ATOM 34 C THR A 3 2.479 -9.517 6.032 1.00 0.62 C ATOM 35 O THR A 3 3.282 -8.758 5.515 1.00 -0.50 O ATOM 36 CB THR A 3 3.339 -11.231 7.600 1.00 0.17 C ATOM 37 OG1 THR A 3 4.663 -10.675 7.648 1.00 -0.55 O ATOM 38 CG2 THR A 3 3.338 -12.732 7.970 1.00 -0.19 C ATOM 0 H THR A 3 4.587 -10.765 5.071 1.00 -0.46 H new ATOM 0 HA THR A 3 1.907 -11.581 5.980 1.00 0.04 H new ATOM 0 HB THR A 3 2.692 -10.749 8.333 1.00 0.17 H new ATOM 0 HG1 THR A 3 5.039 -10.803 8.544 1.00 -0.55 H new ATOM 0 HG21 THR A 3 3.719 -12.857 8.984 1.00 -0.19 H new ATOM 0 HG22 THR A 3 2.321 -13.120 7.914 1.00 -0.19 H new ATOM 0 HG23 THR A 3 3.973 -13.279 7.273 1.00 -0.19 H new ATOM 46 N CYS A 4 1.289 -9.096 6.521 1.00 -0.46 N ATOM 47 CA CYS A 4 0.901 -7.684 6.449 1.00 0.04 C ATOM 48 C CYS A 4 1.813 -6.806 7.280 1.00 0.62 C ATOM 49 O CYS A 4 1.975 -5.650 6.922 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.573 -7.552 6.935 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.331 -5.892 6.893 1.00 0.82 S ATOM 0 H CYS A 4 0.599 -9.706 6.960 1.00 -0.46 H new ATOM 0 HA CYS A 4 0.991 -7.345 5.417 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -1.188 -8.217 6.329 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.623 -7.918 7.960 1.00 -0.10 H new ATOM 56 N GLY A 5 2.406 -7.317 8.383 1.00 -0.46 N ATOM 57 CA GLY A 5 3.319 -6.498 9.183 1.00 0.04 C ATOM 58 C GLY A 5 4.431 -5.876 8.365 1.00 0.62 C ATOM 59 O GLY A 5 4.754 -4.718 8.571 1.00 -0.50 O ATOM 0 H GLY A 5 2.269 -8.268 8.726 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.752 -5.708 9.675 1.00 0.04 H new ATOM 0 HA3 GLY A 5 3.755 -7.114 9.969 1.00 0.04 H new ATOM 63 N GLN A 6 5.042 -6.635 7.430 1.00 -0.46 N ATOM 64 CA GLN A 6 6.140 -6.092 6.616 1.00 0.04 C ATOM 65 C GLN A 6 5.635 -4.934 5.775 1.00 0.62 C ATOM 66 O GLN A 6 6.258 -3.888 5.686 1.00 -0.50 O ATOM 67 CB GLN A 6 6.660 -7.167 5.614 1.00 -0.10 C ATOM 68 CG GLN A 6 7.267 -8.426 6.296 1.00 -0.10 C ATOM 69 CD GLN A 6 7.604 -9.593 5.391 1.00 0.68 C ATOM 70 OE1 GLN A 6 8.462 -10.373 5.791 1.00 -0.47 O ATOM 71 NE2 GLN A 6 6.999 -9.814 4.206 1.00 -0.87 N ATOM 0 H GLN A 6 4.798 -7.604 7.226 1.00 -0.46 H new ATOM 0 HA GLN A 6 6.930 -5.778 7.298 1.00 0.04 H new ATOM 0 HB2 GLN A 6 5.837 -7.477 4.970 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.415 -6.715 4.971 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 8.176 -8.126 6.817 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 6.565 -8.774 7.054 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 6.285 -9.168 3.870 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 7.255 -10.627 3.646 1.00 -0.87 H new ATOM 80 N VAL A 7 4.467 -5.149 5.131 1.00 -0.46 N ATOM 81 CA VAL A 7 3.893 -4.150 4.225 1.00 0.04 C ATOM 82 C VAL A 7 3.516 -2.937 5.058 1.00 0.62 C ATOM 83 O VAL A 7 3.760 -1.803 4.676 1.00 -0.50 O ATOM 84 CB VAL A 7 2.628 -4.765 3.544 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.800 -3.737 2.715 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.905 -6.069 2.729 1.00 -0.09 C ATOM 0 H VAL A 7 3.913 -6.000 5.225 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.600 -3.856 3.449 1.00 0.04 H new ATOM 0 HB VAL A 7 2.006 -5.063 4.388 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 0.938 -4.236 2.272 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.458 -2.934 3.368 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.424 -3.321 1.924 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 1.974 -6.428 2.290 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.622 -5.857 1.936 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.312 -6.833 3.392 1.00 -0.09 H new ATOM 96 N THR A 8 2.904 -3.181 6.236 1.00 -0.46 N ATOM 97 CA THR A 8 2.487 -2.096 7.128 1.00 0.04 C ATOM 98 C THR A 8 3.726 -1.341 7.557 1.00 0.62 C ATOM 99 O THR A 8 3.743 -0.121 7.506 1.00 -0.50 O ATOM 100 CB THR A 8 1.760 -2.679 8.381 1.00 0.17 C ATOM 101 OG1 THR A 8 0.563 -3.389 8.005 1.00 -0.55 O ATOM 102 CG2 THR A 8 1.336 -1.616 9.427 1.00 -0.19 C ATOM 0 H THR A 8 2.692 -4.116 6.584 1.00 -0.46 H new ATOM 0 HA THR A 8 1.796 -1.430 6.611 1.00 0.04 H new ATOM 0 HB THR A 8 2.502 -3.337 8.833 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.806 -4.242 7.588 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.839 -2.107 10.264 1.00 -0.19 H new ATOM 0 HG22 THR A 8 2.219 -1.089 9.788 1.00 -0.19 H new ATOM 0 HG23 THR A 8 0.652 -0.904 8.965 1.00 -0.19 H new ATOM 110 N SER A 9 4.782 -2.071 7.979 1.00 -0.46 N ATOM 111 CA SER A 9 6.009 -1.417 8.433 1.00 0.04 C ATOM 112 C SER A 9 6.547 -0.514 7.345 1.00 0.62 C ATOM 113 O SER A 9 6.871 0.635 7.605 1.00 -0.50 O ATOM 114 CB SER A 9 7.090 -2.467 8.814 1.00 0.02 C ATOM 115 OG SER A 9 8.292 -1.834 9.280 1.00 -0.55 O ATOM 0 H SER A 9 4.802 -3.090 8.011 1.00 -0.46 H new ATOM 0 HA SER A 9 5.770 -0.825 9.316 1.00 0.04 H new ATOM 0 HB2 SER A 9 6.701 -3.128 9.589 1.00 0.02 H new ATOM 0 HB3 SER A 9 7.316 -3.089 7.948 1.00 0.02 H new ATOM 0 HG SER A 9 8.953 -2.519 9.514 1.00 -0.55 H new ATOM 121 N ASN A 10 6.625 -1.028 6.097 1.00 -0.46 N ATOM 122 CA ASN A 10 7.089 -0.197 4.985 1.00 0.04 C ATOM 123 C ASN A 10 6.262 1.068 4.877 1.00 0.62 C ATOM 124 O ASN A 10 6.824 2.132 4.662 1.00 -0.50 O ATOM 125 CB ASN A 10 7.000 -1.010 3.663 1.00 -0.09 C ATOM 126 CG ASN A 10 7.995 -2.140 3.607 1.00 0.68 C ATOM 127 OD1 ASN A 10 9.050 -2.047 4.217 1.00 -0.47 O ATOM 128 ND2 ASN A 10 7.704 -3.226 2.868 1.00 -0.87 N ATOM 0 H ASN A 10 6.379 -1.986 5.848 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.124 0.091 5.167 1.00 0.04 H new ATOM 0 HB2 ASN A 10 5.993 -1.413 3.556 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.167 -0.342 2.818 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 8.371 -3.996 2.808 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 6.817 -3.280 2.368 1.00 -0.87 H new ATOM 135 N LEU A 11 4.917 0.975 5.020 1.00 -0.46 N ATOM 136 CA LEU A 11 4.065 2.159 4.881 1.00 0.04 C ATOM 137 C LEU A 11 3.716 2.793 6.209 1.00 0.62 C ATOM 138 O LEU A 11 2.717 3.492 6.277 1.00 -0.50 O ATOM 139 CB LEU A 11 2.853 1.837 3.948 1.00 -0.06 C ATOM 140 CG LEU A 11 3.275 1.869 2.444 1.00 -0.01 C ATOM 141 CD1 LEU A 11 4.055 0.592 2.066 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.064 2.071 1.500 1.00 -0.11 C ATOM 0 H LEU A 11 4.418 0.110 5.227 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.628 2.948 4.382 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.451 0.854 4.195 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 2.056 2.560 4.120 1.00 -0.06 H new ATOM 0 HG LEU A 11 3.931 2.730 2.314 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 4.338 0.637 1.014 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 4.952 0.518 2.681 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 3.426 -0.282 2.236 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.408 2.086 0.466 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.357 1.253 1.635 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 1.574 3.016 1.734 1.00 -0.11 H new ATOM 154 N ALA A 12 4.523 2.617 7.281 1.00 -0.46 N ATOM 155 CA ALA A 12 4.109 3.142 8.583 1.00 0.04 C ATOM 156 C ALA A 12 3.831 4.632 8.539 1.00 0.62 C ATOM 157 O ALA A 12 2.752 5.017 8.967 1.00 -0.50 O ATOM 158 CB ALA A 12 5.047 2.772 9.768 1.00 -0.10 C ATOM 0 H ALA A 12 5.423 2.137 7.266 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.172 2.627 8.793 1.00 0.04 H new ATOM 0 HB1 ALA A 12 4.658 3.206 10.689 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.095 1.688 9.869 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.046 3.163 9.577 1.00 -0.10 H new ATOM 164 N PRO A 13 4.719 5.535 8.037 1.00 -0.23 N ATOM 165 CA PRO A 13 4.368 6.951 8.041 1.00 0.04 C ATOM 166 C PRO A 13 3.222 7.227 7.090 1.00 0.53 C ATOM 167 O PRO A 13 2.441 8.132 7.338 1.00 -0.50 O ATOM 168 CB PRO A 13 5.682 7.608 7.542 1.00 -0.12 C ATOM 169 CG PRO A 13 6.755 6.491 7.627 1.00 -0.12 C ATOM 170 CD PRO A 13 5.990 5.160 7.424 1.00 -0.01 C ATOM 0 HA PRO A 13 4.032 7.322 9.009 1.00 0.04 H new ATOM 0 HB2 PRO A 13 5.576 7.975 6.521 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 5.954 8.463 8.161 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 7.520 6.624 6.862 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 7.262 6.508 8.592 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 5.887 4.889 6.373 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 6.468 4.318 7.925 1.00 -0.01 H new ATOM 178 N CYS A 14 3.097 6.458 5.983 1.00 -0.46 N ATOM 179 CA CYS A 14 1.983 6.683 5.069 1.00 0.04 C ATOM 180 C CYS A 14 0.676 6.452 5.805 1.00 0.62 C ATOM 181 O CYS A 14 -0.264 7.197 5.579 1.00 -0.50 O ATOM 182 CB CYS A 14 2.015 5.750 3.833 1.00 -0.10 C ATOM 183 SG CYS A 14 3.206 6.216 2.536 1.00 0.82 S ATOM 0 H CYS A 14 3.734 5.707 5.718 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.070 7.710 4.714 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.245 4.739 4.168 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.018 5.721 3.394 1.00 -0.10 H new ATOM 188 N LEU A 15 0.573 5.432 6.688 1.00 -0.46 N ATOM 189 CA LEU A 15 -0.695 5.206 7.394 1.00 0.04 C ATOM 190 C LEU A 15 -1.084 6.469 8.128 1.00 0.62 C ATOM 191 O LEU A 15 -2.227 6.895 8.100 1.00 -0.50 O ATOM 192 CB LEU A 15 -0.627 4.071 8.457 1.00 -0.06 C ATOM 193 CG LEU A 15 -0.217 2.668 7.923 1.00 -0.01 C ATOM 194 CD1 LEU A 15 -0.037 1.701 9.126 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -1.241 2.103 6.906 1.00 -0.11 C ATOM 0 H LEU A 15 1.323 4.780 6.918 1.00 -0.46 H new ATOM 0 HA LEU A 15 -1.417 4.917 6.630 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.081 4.366 9.231 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -1.603 3.986 8.934 1.00 -0.06 H new ATOM 0 HG LEU A 15 0.726 2.767 7.385 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 0.250 0.715 8.761 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 0.740 2.084 9.787 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.975 1.625 9.675 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.910 1.123 6.563 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -2.216 2.010 7.385 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -1.318 2.779 6.054 1.00 -0.11 H new ATOM 207 N ALA A 16 -0.101 7.095 8.805 1.00 -0.46 N ATOM 208 CA ALA A 16 -0.371 8.360 9.481 1.00 0.04 C ATOM 209 C ALA A 16 -0.733 9.414 8.448 1.00 0.62 C ATOM 210 O ALA A 16 -1.725 10.106 8.626 1.00 -0.50 O ATOM 211 CB ALA A 16 0.869 8.689 10.351 1.00 -0.10 C ATOM 0 H ALA A 16 0.855 6.752 8.892 1.00 -0.46 H new ATOM 0 HA ALA A 16 -1.230 8.315 10.150 1.00 0.04 H new ATOM 0 HB1 ALA A 16 0.706 9.631 10.875 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 1.025 7.892 11.078 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 1.748 8.776 9.713 1.00 -0.10 H new ATOM 217 N TYR A 17 0.022 9.562 7.337 1.00 -0.46 N ATOM 218 CA TYR A 17 -0.375 10.522 6.296 1.00 0.04 C ATOM 219 C TYR A 17 -1.819 10.330 5.895 1.00 0.62 C ATOM 220 O TYR A 17 -2.530 11.315 5.763 1.00 -0.50 O ATOM 221 CB TYR A 17 0.524 10.379 5.039 1.00 -0.10 C ATOM 222 CG TYR A 17 0.106 11.275 3.864 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.337 12.650 3.889 1.00 0.00 C ATOM 224 CD2 TYR A 17 -0.498 10.709 2.734 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.090 13.424 2.747 1.00 -0.26 C ATOM 226 CE2 TYR A 17 -0.655 11.455 1.566 1.00 -0.26 C ATOM 227 CZ TYR A 17 -0.380 12.827 1.573 1.00 0.46 C ATOM 228 OH TYR A 17 -0.598 13.566 0.410 1.00 -0.53 O ATOM 0 H TYR A 17 0.881 9.046 7.145 1.00 -0.46 H new ATOM 0 HA TYR A 17 -0.253 11.520 6.717 1.00 0.04 H new ATOM 0 HB2 TYR A 17 1.553 10.613 5.313 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 0.510 9.339 4.712 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 0.707 13.119 4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.845 9.687 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.264 14.490 2.774 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 -0.988 10.975 0.658 1.00 -0.26 H new ATOM 0 HH TYR A 17 -0.924 12.972 -0.298 1.00 -0.53 H new ATOM 238 N LEU A 18 -2.282 9.073 5.715 1.00 -0.46 N ATOM 239 CA LEU A 18 -3.681 8.856 5.350 1.00 0.04 C ATOM 240 C LEU A 18 -4.610 9.612 6.280 1.00 0.62 C ATOM 241 O LEU A 18 -5.599 10.159 5.817 1.00 -0.50 O ATOM 242 CB LEU A 18 -4.108 7.366 5.409 1.00 -0.06 C ATOM 243 CG LEU A 18 -3.437 6.437 4.354 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -3.915 4.968 4.542 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -3.726 6.929 2.911 1.00 -0.11 C ATOM 0 H LEU A 18 -1.722 8.226 5.814 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.760 9.213 4.323 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -3.883 6.980 6.403 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -5.189 7.310 5.282 1.00 -0.06 H new ATOM 0 HG LEU A 18 -2.358 6.473 4.508 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -3.437 4.332 3.797 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -3.646 4.623 5.540 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -4.997 4.919 4.420 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -3.245 6.261 2.196 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -4.802 6.933 2.737 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -3.334 7.938 2.785 1.00 -0.11 H new ATOM 257 N ARG A 19 -4.297 9.653 7.596 1.00 -0.46 N ATOM 258 CA ARG A 19 -5.160 10.341 8.563 1.00 0.04 C ATOM 259 C ARG A 19 -4.792 11.813 8.690 1.00 0.62 C ATOM 260 O ARG A 19 -5.021 12.381 9.746 1.00 -0.50 O ATOM 261 CB ARG A 19 -5.071 9.544 9.901 1.00 -0.08 C ATOM 262 CG ARG A 19 -6.176 9.847 10.955 1.00 -0.10 C ATOM 263 CD ARG A 19 -5.718 9.395 12.372 1.00 -0.23 C ATOM 264 NE ARG A 19 -6.749 9.669 13.379 1.00 -0.32 N ATOM 265 CZ ARG A 19 -7.002 10.859 13.887 1.00 0.76 C ATOM 266 NH1 ARG A 19 -6.353 11.947 13.552 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -7.956 10.969 14.780 1.00 -0.62 N ATOM 0 H ARG A 19 -3.465 9.223 8.000 1.00 -0.46 H new ATOM 0 HA ARG A 19 -6.199 10.356 8.233 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -5.102 8.479 9.669 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -4.100 9.743 10.355 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -6.398 10.914 10.961 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -7.097 9.332 10.683 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -5.492 8.329 12.360 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -4.797 9.913 12.641 1.00 -0.23 H new ATOM 0 HE ARG A 19 -7.310 8.884 13.709 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -5.604 11.902 12.861 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -6.597 12.839 13.982 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -8.483 10.144 15.067 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -8.171 11.879 15.188 1.00 -0.62 H new ATOM 281 N ASN A 20 -4.220 12.480 7.655 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.866 13.898 7.787 1.00 0.04 C ATOM 283 C ASN A 20 -3.172 14.191 9.109 1.00 0.62 C ATOM 284 O ASN A 20 -3.560 15.127 9.791 1.00 -0.50 O ATOM 285 CB ASN A 20 -5.109 14.804 7.542 1.00 -0.09 C ATOM 286 CG ASN A 20 -5.575 14.813 6.105 1.00 0.68 C ATOM 287 OD1 ASN A 20 -5.058 15.597 5.320 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -6.547 13.978 5.694 1.00 -0.87 N ATOM 0 H ASN A 20 -4.003 12.065 6.749 1.00 -0.46 H new ATOM 0 HA ASN A 20 -3.138 14.138 7.012 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.926 14.465 8.179 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -4.871 15.824 7.845 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -6.858 13.996 4.723 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -6.973 13.327 6.354 1.00 -0.87 H new ATOM 295 N THR A 21 -2.134 13.397 9.476 1.00 -0.46 N ATOM 296 CA THR A 21 -1.380 13.659 10.717 1.00 0.04 C ATOM 297 C THR A 21 0.121 13.498 10.541 1.00 0.62 C ATOM 298 O THR A 21 0.843 14.426 10.872 1.00 -0.50 O ATOM 299 CB THR A 21 -1.872 12.856 11.956 1.00 0.17 C ATOM 300 OG1 THR A 21 -0.989 13.150 13.048 1.00 -0.55 O ATOM 301 CG2 THR A 21 -1.894 11.325 11.734 1.00 -0.19 C ATOM 0 H THR A 21 -1.810 12.591 8.942 1.00 -0.46 H new ATOM 0 HA THR A 21 -1.590 14.708 10.928 1.00 0.04 H new ATOM 0 HB THR A 21 -2.900 13.157 12.156 1.00 0.17 H new ATOM 0 HG1 THR A 21 -1.278 12.657 13.844 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -2.247 10.831 12.639 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -2.562 11.087 10.906 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -0.888 10.977 11.500 1.00 -0.19 H new ATOM 309 N GLY A 22 0.647 12.357 10.032 1.00 -0.46 N ATOM 310 CA GLY A 22 2.101 12.178 9.943 1.00 0.04 C ATOM 311 C GLY A 22 2.569 12.459 8.534 1.00 0.62 C ATOM 312 O GLY A 22 1.805 12.115 7.649 1.00 -0.50 O ATOM 0 H GLY A 22 0.096 11.571 9.687 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 2.602 12.848 10.642 1.00 0.04 H new ATOM 0 HA3 GLY A 22 2.369 11.161 10.228 1.00 0.04 H new ATOM 316 N PRO A 23 3.757 13.032 8.204 1.00 -0.23 N ATOM 317 CA PRO A 23 4.101 13.186 6.796 1.00 0.04 C ATOM 318 C PRO A 23 4.434 11.861 6.139 1.00 0.53 C ATOM 319 O PRO A 23 4.301 10.816 6.756 1.00 -0.50 O ATOM 320 CB PRO A 23 5.359 14.092 6.890 1.00 -0.12 C ATOM 321 CG PRO A 23 5.372 14.616 8.347 1.00 -0.12 C ATOM 322 CD PRO A 23 4.740 13.478 9.181 1.00 -0.01 C ATOM 0 HA PRO A 23 3.290 13.591 6.190 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.266 13.531 6.665 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.307 14.914 6.176 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.387 14.834 8.680 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 4.801 15.539 8.440 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.455 12.701 9.450 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 4.288 13.831 10.108 1.00 -0.01 H new ATOM 330 N LEU A 24 4.895 11.913 4.867 1.00 -0.46 N ATOM 331 CA LEU A 24 5.329 10.695 4.176 1.00 0.04 C ATOM 332 C LEU A 24 6.721 10.331 4.665 1.00 0.62 C ATOM 333 O LEU A 24 6.989 9.162 4.900 1.00 -0.50 O ATOM 334 CB LEU A 24 5.419 10.869 2.630 1.00 -0.06 C ATOM 335 CG LEU A 24 4.072 10.952 1.844 1.00 -0.01 C ATOM 336 CD1 LEU A 24 3.161 9.720 2.084 1.00 -0.11 C ATOM 337 CD2 LEU A 24 3.280 12.267 2.063 1.00 -0.11 C ATOM 0 H LEU A 24 4.972 12.768 4.316 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.588 9.926 4.394 1.00 0.04 H new ATOM 0 HB2 LEU A 24 5.987 11.776 2.424 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 5.994 10.035 2.229 1.00 -0.06 H new ATOM 0 HG LEU A 24 4.380 10.951 0.799 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 2.239 9.832 1.513 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 3.679 8.816 1.763 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 2.923 9.644 3.145 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 2.359 12.239 1.480 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 3.037 12.374 3.120 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 3.886 13.114 1.743 1.00 -0.11 H new ATOM 349 N GLY A 25 7.639 11.315 4.806 1.00 -0.46 N ATOM 350 CA GLY A 25 8.976 11.003 5.309 1.00 0.04 C ATOM 351 C GLY A 25 9.641 9.933 4.469 1.00 0.62 C ATOM 352 O GLY A 25 9.673 10.087 3.257 1.00 -0.50 O ATOM 0 H GLY A 25 7.477 12.297 4.584 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.588 11.905 5.305 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.909 10.667 6.344 1.00 0.04 H new ATOM 356 N ARG A 26 10.171 8.845 5.080 1.00 -0.46 N ATOM 357 CA ARG A 26 10.798 7.773 4.300 1.00 0.04 C ATOM 358 C ARG A 26 9.804 6.699 3.904 1.00 0.62 C ATOM 359 O ARG A 26 10.235 5.648 3.455 1.00 -0.50 O ATOM 360 CB ARG A 26 12.027 7.206 5.073 1.00 -0.08 C ATOM 361 CG ARG A 26 13.120 8.280 5.365 1.00 -0.10 C ATOM 362 CD ARG A 26 14.140 8.464 4.203 1.00 -0.23 C ATOM 363 NE ARG A 26 13.499 8.720 2.908 1.00 -0.32 N ATOM 364 CZ ARG A 26 12.976 9.871 2.541 1.00 0.76 C ATOM 365 NH1 ARG A 26 12.990 10.943 3.293 1.00 -0.62 N ATOM 366 NH2 ARG A 26 12.404 9.954 1.364 1.00 -0.62 N ATOM 0 H ARG A 26 10.173 8.696 6.089 1.00 -0.46 H new ATOM 0 HA ARG A 26 11.159 8.191 3.360 1.00 0.04 H new ATOM 0 HB2 ARG A 26 11.688 6.777 6.016 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 12.469 6.395 4.494 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 12.634 9.235 5.566 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 13.660 8.000 6.270 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 14.807 9.292 4.441 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 14.758 7.569 4.125 1.00 -0.23 H new ATOM 0 HE ARG A 26 13.455 7.948 2.242 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 13.422 10.913 4.216 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 12.569 11.808 2.955 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 12.371 9.137 0.754 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 11.992 10.836 1.058 1.00 -0.62 H new ATOM 380 N CYS A 27 8.472 6.926 4.013 1.00 -0.46 N ATOM 381 CA CYS A 27 7.521 5.933 3.514 1.00 0.04 C ATOM 382 C CYS A 27 7.844 5.596 2.075 1.00 0.62 C ATOM 383 O CYS A 27 7.801 4.430 1.715 1.00 -0.50 O ATOM 384 CB CYS A 27 6.062 6.466 3.561 1.00 -0.10 C ATOM 385 SG CYS A 27 4.912 5.198 2.951 1.00 0.82 S ATOM 0 H CYS A 27 8.054 7.759 4.428 1.00 -0.46 H new ATOM 0 HA CYS A 27 7.604 5.053 4.152 1.00 0.04 H new ATOM 0 HB2 CYS A 27 5.801 6.743 4.582 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.976 7.367 2.954 1.00 -0.10 H new ATOM 390 N CYS A 28 8.154 6.602 1.225 1.00 -0.46 N ATOM 391 CA CYS A 28 8.375 6.315 -0.192 1.00 0.04 C ATOM 392 C CYS A 28 9.388 5.209 -0.416 1.00 0.62 C ATOM 393 O CYS A 28 9.162 4.376 -1.281 1.00 -0.50 O ATOM 394 CB CYS A 28 8.784 7.579 -0.996 1.00 -0.10 C ATOM 395 SG CYS A 28 7.553 8.936 -0.974 1.00 0.82 S ATOM 0 H CYS A 28 8.252 7.582 1.491 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.412 5.968 -0.566 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.726 7.956 -0.599 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.967 7.290 -2.031 1.00 -0.10 H new ATOM 400 N GLY A 29 10.500 5.154 0.348 1.00 -0.46 N ATOM 401 CA GLY A 29 11.423 4.028 0.186 1.00 0.04 C ATOM 402 C GLY A 29 10.720 2.720 0.479 1.00 0.62 C ATOM 403 O GLY A 29 10.939 1.734 -0.207 1.00 -0.50 O ATOM 0 H GLY A 29 10.766 5.845 1.050 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.817 4.016 -0.830 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.274 4.148 0.856 1.00 0.04 H new ATOM 407 N GLY A 30 9.850 2.683 1.509 1.00 -0.46 N ATOM 408 CA GLY A 30 9.076 1.469 1.767 1.00 0.04 C ATOM 409 C GLY A 30 8.093 1.177 0.651 1.00 0.62 C ATOM 410 O GLY A 30 7.876 0.020 0.324 1.00 -0.50 O ATOM 0 H GLY A 30 9.674 3.455 2.152 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.754 0.624 1.883 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.536 1.576 2.708 1.00 0.04 H new ATOM 414 N VAL A 31 7.475 2.211 0.038 1.00 -0.46 N ATOM 415 CA VAL A 31 6.564 1.960 -1.084 1.00 0.04 C ATOM 416 C VAL A 31 7.395 1.318 -2.182 1.00 0.62 C ATOM 417 O VAL A 31 6.969 0.338 -2.772 1.00 -0.50 O ATOM 418 CB VAL A 31 5.837 3.242 -1.599 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.796 2.907 -2.707 1.00 -0.09 C ATOM 420 CG2 VAL A 31 5.090 4.008 -0.469 1.00 -0.09 C ATOM 0 H VAL A 31 7.588 3.192 0.294 1.00 -0.46 H new ATOM 0 HA VAL A 31 5.757 1.306 -0.754 1.00 0.04 H new ATOM 0 HB VAL A 31 6.630 3.874 -1.999 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.311 3.825 -3.040 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.301 2.437 -3.551 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.046 2.225 -2.307 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.604 4.890 -0.887 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.339 3.356 -0.023 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.804 4.315 0.296 1.00 -0.09 H new ATOM 430 N LYS A 32 8.611 1.843 -2.458 1.00 -0.46 N ATOM 431 CA LYS A 32 9.481 1.191 -3.439 1.00 0.04 C ATOM 432 C LYS A 32 9.671 -0.267 -3.085 1.00 0.62 C ATOM 433 O LYS A 32 9.568 -1.101 -3.972 1.00 -0.50 O ATOM 434 CB LYS A 32 10.849 1.910 -3.557 1.00 -0.10 C ATOM 435 CG LYS A 32 11.801 1.219 -4.572 1.00 -0.16 C ATOM 436 CD LYS A 32 13.150 1.981 -4.709 1.00 -0.18 C ATOM 437 CE LYS A 32 13.052 3.371 -5.403 1.00 -0.04 C ATOM 438 NZ LYS A 32 12.523 3.289 -6.787 1.00 -0.14 N ATOM 0 H LYS A 32 8.994 2.685 -2.029 1.00 -0.46 H new ATOM 0 HA LYS A 32 8.994 1.256 -4.412 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.687 2.944 -3.862 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.326 1.938 -2.578 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 11.993 0.195 -4.251 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.315 1.162 -5.546 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 13.576 2.117 -3.715 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 13.846 1.359 -5.272 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 12.409 4.022 -4.811 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 14.040 3.832 -5.424 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 12.528 4.236 -7.217 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 13.120 2.650 -7.350 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 11.550 2.923 -6.766 1.00 -0.14 H new ATOM 452 N ALA A 33 9.939 -0.618 -1.805 1.00 -0.46 N ATOM 453 CA ALA A 33 10.081 -2.036 -1.472 1.00 0.04 C ATOM 454 C ALA A 33 8.871 -2.805 -1.950 1.00 0.62 C ATOM 455 O ALA A 33 9.022 -3.876 -2.521 1.00 -0.50 O ATOM 456 CB ALA A 33 10.289 -2.308 0.040 1.00 -0.10 C ATOM 0 H ALA A 33 10.055 0.032 -1.027 1.00 -0.46 H new ATOM 0 HA ALA A 33 10.984 -2.372 -1.982 1.00 0.04 H new ATOM 0 HB1 ALA A 33 10.386 -3.381 0.207 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 11.195 -1.805 0.379 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 9.433 -1.930 0.599 1.00 -0.10 H new ATOM 462 N LEU A 34 7.647 -2.270 -1.744 1.00 -0.46 N ATOM 463 CA LEU A 34 6.478 -2.984 -2.245 1.00 0.04 C ATOM 464 C LEU A 34 6.546 -3.239 -3.731 1.00 0.62 C ATOM 465 O LEU A 34 6.060 -4.268 -4.164 1.00 -0.50 O ATOM 466 CB LEU A 34 5.110 -2.322 -1.939 1.00 -0.06 C ATOM 467 CG LEU A 34 4.679 -2.362 -0.446 1.00 -0.01 C ATOM 468 CD1 LEU A 34 3.236 -1.784 -0.314 1.00 -0.11 C ATOM 469 CD2 LEU A 34 4.690 -3.808 0.127 1.00 -0.11 C ATOM 0 H LEU A 34 7.458 -1.393 -1.259 1.00 -0.46 H new ATOM 0 HA LEU A 34 6.523 -3.921 -1.689 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.146 -1.282 -2.263 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 4.343 -2.815 -2.536 1.00 -0.06 H new ATOM 0 HG LEU A 34 5.395 -1.766 0.121 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 2.928 -1.809 0.731 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 3.222 -0.754 -0.671 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 2.548 -2.384 -0.910 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 4.382 -3.787 1.172 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 4.000 -4.430 -0.442 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 5.696 -4.221 0.053 1.00 -0.11 H new ATOM 481 N VAL A 35 7.133 -2.355 -4.552 1.00 -0.46 N ATOM 482 CA VAL A 35 7.161 -2.626 -5.989 1.00 0.04 C ATOM 483 C VAL A 35 7.781 -3.981 -6.213 1.00 0.62 C ATOM 484 O VAL A 35 7.192 -4.813 -6.886 1.00 -0.50 O ATOM 485 CB VAL A 35 7.992 -1.580 -6.772 1.00 -0.01 C ATOM 486 CG1 VAL A 35 8.045 -1.886 -8.297 1.00 -0.09 C ATOM 487 CG2 VAL A 35 7.413 -0.166 -6.561 1.00 -0.09 C ATOM 0 H VAL A 35 7.576 -1.484 -4.259 1.00 -0.46 H new ATOM 0 HA VAL A 35 6.134 -2.584 -6.352 1.00 0.04 H new ATOM 0 HB VAL A 35 9.008 -1.632 -6.381 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 8.639 -1.124 -8.801 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 8.499 -2.864 -8.456 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 7.034 -1.885 -8.704 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 8.008 0.558 -7.118 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 6.383 -0.138 -6.916 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 7.438 0.083 -5.500 1.00 -0.09 H new ATOM 497 N ASN A 36 8.984 -4.208 -5.642 1.00 -0.46 N ATOM 498 CA ASN A 36 9.661 -5.478 -5.873 1.00 0.04 C ATOM 499 C ASN A 36 8.898 -6.583 -5.182 1.00 0.62 C ATOM 500 O ASN A 36 8.781 -7.662 -5.744 1.00 -0.50 O ATOM 501 CB ASN A 36 11.146 -5.414 -5.423 1.00 -0.09 C ATOM 502 CG ASN A 36 11.335 -5.424 -3.923 1.00 0.68 C ATOM 503 OD1 ASN A 36 10.888 -6.363 -3.281 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.002 -4.429 -3.309 1.00 -0.87 N ATOM 0 H ASN A 36 9.481 -3.550 -5.042 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.677 -5.691 -6.942 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.682 -6.261 -5.852 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.600 -4.510 -5.830 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.138 -4.454 -2.298 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.371 -3.650 -3.854 1.00 -0.87 H new ATOM 511 N SER A 37 8.367 -6.338 -3.959 1.00 -0.46 N ATOM 512 CA SER A 37 7.639 -7.400 -3.268 1.00 0.04 C ATOM 513 C SER A 37 6.404 -7.687 -4.087 1.00 0.62 C ATOM 514 O SER A 37 6.317 -8.753 -4.675 1.00 -0.50 O ATOM 515 CB SER A 37 7.325 -7.060 -1.782 1.00 0.02 C ATOM 516 OG SER A 37 6.690 -8.143 -1.085 1.00 -0.55 O ATOM 0 H SER A 37 8.430 -5.451 -3.459 1.00 -0.46 H new ATOM 0 HA SER A 37 8.257 -8.295 -3.196 1.00 0.04 H new ATOM 0 HB2 SER A 37 8.251 -6.798 -1.270 1.00 0.02 H new ATOM 0 HB3 SER A 37 6.681 -6.182 -1.743 1.00 0.02 H new ATOM 0 HG SER A 37 6.950 -8.994 -1.496 1.00 -0.55 H new ATOM 522 N ALA A 38 5.450 -6.732 -4.163 1.00 -0.46 N ATOM 523 CA ALA A 38 4.196 -6.960 -4.876 1.00 0.04 C ATOM 524 C ALA A 38 4.453 -7.610 -6.212 1.00 0.62 C ATOM 525 O ALA A 38 3.821 -8.603 -6.546 1.00 -0.50 O ATOM 526 CB ALA A 38 3.357 -5.665 -5.107 1.00 -0.10 C ATOM 0 H ALA A 38 5.533 -5.808 -3.740 1.00 -0.46 H new ATOM 0 HA ALA A 38 3.614 -7.617 -4.230 1.00 0.04 H new ATOM 0 HB1 ALA A 38 2.441 -5.916 -5.642 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 3.105 -5.218 -4.145 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 3.938 -4.955 -5.695 1.00 -0.10 H new ATOM 532 N ARG A 39 5.403 -7.103 -7.025 1.00 -0.46 N ATOM 533 CA ARG A 39 5.603 -7.715 -8.337 1.00 0.04 C ATOM 534 C ARG A 39 5.748 -9.228 -8.318 1.00 0.62 C ATOM 535 O ARG A 39 5.649 -9.804 -9.391 1.00 -0.50 O ATOM 536 CB ARG A 39 6.751 -7.081 -9.190 1.00 -0.08 C ATOM 537 CG ARG A 39 6.213 -5.969 -10.140 1.00 -0.10 C ATOM 538 CD ARG A 39 5.730 -6.482 -11.542 1.00 -0.23 C ATOM 539 NE ARG A 39 4.995 -7.763 -11.577 1.00 -0.32 N ATOM 540 CZ ARG A 39 4.180 -8.139 -12.540 1.00 0.76 C ATOM 541 NH1 ARG A 39 4.024 -7.466 -13.652 1.00 -0.62 N ATOM 542 NH2 ARG A 39 3.490 -9.247 -12.385 1.00 -0.62 N ATOM 0 H ARG A 39 6.010 -6.313 -6.806 1.00 -0.46 H new ATOM 0 HA ARG A 39 4.661 -7.482 -8.834 1.00 0.04 H new ATOM 0 HB2 ARG A 39 7.507 -6.660 -8.528 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 7.240 -7.858 -9.778 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 5.383 -5.460 -9.649 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.998 -5.227 -10.290 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 5.092 -5.715 -11.981 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 6.604 -6.577 -12.186 1.00 -0.23 H new ATOM 0 HE ARG A 39 5.129 -8.405 -10.796 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 4.548 -6.604 -13.804 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.378 -7.803 -14.366 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 3.592 -9.796 -11.532 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 2.852 -9.558 -13.118 1.00 -0.62 H new ATOM 556 N THR A 40 5.942 -9.903 -7.160 1.00 -0.46 N ATOM 557 CA THR A 40 6.031 -11.362 -7.114 1.00 0.04 C ATOM 558 C THR A 40 4.653 -11.994 -6.955 1.00 0.62 C ATOM 559 O THR A 40 4.530 -12.974 -6.238 1.00 -0.50 O ATOM 560 CB THR A 40 6.997 -11.778 -5.957 1.00 0.17 C ATOM 561 OG1 THR A 40 8.159 -10.926 -5.857 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.579 -13.200 -6.157 1.00 -0.19 C ATOM 0 H THR A 40 6.039 -9.450 -6.251 1.00 -0.46 H new ATOM 0 HA THR A 40 6.434 -11.730 -8.058 1.00 0.04 H new ATOM 0 HB THR A 40 6.371 -11.709 -5.067 1.00 0.17 H new ATOM 0 HG1 THR A 40 7.898 -10.060 -5.479 1.00 -0.55 H new ATOM 0 HG21 THR A 40 8.243 -13.441 -5.327 1.00 -0.19 H new ATOM 0 HG22 THR A 40 6.765 -13.924 -6.193 1.00 -0.19 H new ATOM 0 HG23 THR A 40 8.138 -13.236 -7.092 1.00 -0.19 H new ATOM 570 N THR A 41 3.583 -11.483 -7.612 1.00 -0.46 N ATOM 571 CA THR A 41 2.282 -12.166 -7.594 1.00 0.04 C ATOM 572 C THR A 41 1.686 -12.369 -6.214 1.00 0.62 C ATOM 573 O THR A 41 0.810 -11.615 -5.817 1.00 -0.50 O ATOM 574 CB THR A 41 2.372 -13.501 -8.394 1.00 0.17 C ATOM 575 OG1 THR A 41 2.805 -13.258 -9.743 1.00 -0.55 O ATOM 576 CG2 THR A 41 1.049 -14.314 -8.337 1.00 -0.19 C ATOM 0 H THR A 41 3.601 -10.616 -8.149 1.00 -0.46 H new ATOM 0 HA THR A 41 1.578 -11.494 -8.086 1.00 0.04 H new ATOM 0 HB THR A 41 3.126 -14.124 -7.912 1.00 0.17 H new ATOM 0 HG1 THR A 41 2.857 -14.108 -10.228 1.00 -0.55 H new ATOM 0 HG21 THR A 41 1.163 -15.235 -8.909 1.00 -0.19 H new ATOM 0 HG22 THR A 41 0.816 -14.557 -7.300 1.00 -0.19 H new ATOM 0 HG23 THR A 41 0.239 -13.721 -8.761 1.00 -0.19 H new ATOM 584 N GLU A 42 2.119 -13.396 -5.453 1.00 -0.46 N ATOM 585 CA GLU A 42 1.464 -13.702 -4.183 1.00 0.04 C ATOM 586 C GLU A 42 1.695 -12.536 -3.251 1.00 0.62 C ATOM 587 O GLU A 42 0.766 -12.012 -2.657 1.00 -0.50 O ATOM 588 CB GLU A 42 2.030 -15.042 -3.629 1.00 -0.18 C ATOM 589 CG GLU A 42 1.481 -15.414 -2.229 1.00 -0.40 C ATOM 590 CD GLU A 42 0.012 -15.755 -2.233 1.00 0.71 C ATOM 591 OE1 GLU A 42 -0.828 -14.847 -2.482 1.00 -0.72 O ATOM 592 OE2 GLU A 42 -0.324 -16.945 -1.986 1.00 -0.72 O ATOM 0 H GLU A 42 2.899 -14.007 -5.695 1.00 -0.46 H new ATOM 0 HA GLU A 42 0.389 -13.836 -4.299 1.00 0.04 H new ATOM 0 HB2 GLU A 42 1.793 -15.844 -4.328 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 3.117 -14.975 -3.578 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 2.043 -16.264 -1.841 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 1.651 -14.581 -1.547 1.00 -0.40 H new ATOM 599 N ASP A 43 2.960 -12.088 -3.145 1.00 -0.46 N ATOM 600 CA ASP A 43 3.264 -10.912 -2.338 1.00 0.04 C ATOM 601 C ASP A 43 2.297 -9.778 -2.623 1.00 0.62 C ATOM 602 O ASP A 43 1.919 -9.080 -1.696 1.00 -0.50 O ATOM 603 CB ASP A 43 4.703 -10.452 -2.669 1.00 -0.40 C ATOM 604 CG ASP A 43 5.734 -11.510 -2.375 1.00 0.71 C ATOM 605 OD1 ASP A 43 5.487 -12.689 -2.749 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.792 -11.175 -1.778 1.00 -0.72 O ATOM 0 H ASP A 43 3.765 -12.517 -3.600 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.171 -11.175 -1.284 1.00 0.04 H new ATOM 0 HB2 ASP A 43 4.759 -10.179 -3.723 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 4.935 -9.555 -2.094 1.00 -0.40 H new ATOM 611 N ARG A 44 1.872 -9.568 -3.890 1.00 -0.46 N ATOM 612 CA ARG A 44 0.889 -8.517 -4.179 1.00 0.04 C ATOM 613 C ARG A 44 -0.474 -8.835 -3.638 1.00 0.62 C ATOM 614 O ARG A 44 -1.144 -7.954 -3.119 1.00 -0.50 O ATOM 615 CB ARG A 44 0.733 -8.278 -5.704 1.00 -0.08 C ATOM 616 CG ARG A 44 -0.255 -7.143 -6.065 1.00 -0.10 C ATOM 617 CD ARG A 44 0.183 -6.329 -7.318 1.00 -0.23 C ATOM 618 NE ARG A 44 -0.304 -6.725 -8.649 1.00 -0.32 N ATOM 619 CZ ARG A 44 0.344 -7.495 -9.496 1.00 0.76 C ATOM 620 NH1 ARG A 44 1.457 -8.111 -9.194 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -0.142 -7.648 -10.703 1.00 -0.62 N ATOM 0 H ARG A 44 2.187 -10.099 -4.702 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.280 -7.625 -3.689 1.00 0.04 H new ATOM 0 HB2 ARG A 44 1.710 -8.043 -6.126 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.396 -9.202 -6.174 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -1.241 -7.571 -6.243 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -0.350 -6.467 -5.215 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -0.117 -5.294 -7.156 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 1.272 -6.343 -7.352 1.00 -0.23 H new ATOM 0 HE ARG A 44 -1.217 -6.374 -8.938 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 1.862 -8.005 -8.264 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 1.920 -8.697 -9.888 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -1.006 -7.175 -10.969 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 0.343 -8.240 -11.377 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.903 -10.103 -3.758 1.00 -0.46 N ATOM 636 CA GLN A 45 -2.189 -10.476 -3.180 1.00 0.04 C ATOM 637 C GLN A 45 -2.156 -10.122 -1.708 1.00 0.62 C ATOM 638 O GLN A 45 -3.097 -9.539 -1.188 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.510 -11.968 -3.457 1.00 -0.10 C ATOM 640 CG GLN A 45 -2.631 -12.243 -4.986 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.026 -13.642 -5.388 1.00 0.68 C ATOM 642 OE1 GLN A 45 -3.741 -13.767 -6.375 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -2.589 -14.718 -4.708 1.00 -0.87 N ATOM 0 H GLN A 45 -0.398 -10.853 -4.230 1.00 -0.46 H new ATOM 0 HA GLN A 45 -3.005 -9.923 -3.645 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.727 -12.596 -3.033 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.441 -12.241 -2.961 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.362 -11.549 -5.401 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -1.673 -12.012 -5.451 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -1.994 -14.596 -3.888 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -2.852 -15.655 -5.012 1.00 -0.87 H new ATOM 652 N ILE A 46 -1.030 -10.442 -1.038 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.852 -10.035 0.356 1.00 0.04 C ATOM 654 C ILE A 46 -0.839 -8.522 0.458 1.00 0.62 C ATOM 655 O ILE A 46 -1.565 -7.985 1.280 1.00 -0.50 O ATOM 656 CB ILE A 46 0.425 -10.693 0.969 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.132 -12.150 1.438 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.992 -9.853 2.152 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.561 -13.058 0.387 1.00 -0.09 C ATOM 0 H ILE A 46 -0.252 -10.969 -1.435 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.696 -10.392 0.946 1.00 0.04 H new ATOM 0 HB ILE A 46 1.180 -10.723 0.183 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 1.073 -12.616 1.732 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 -0.495 -12.108 2.328 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.880 -10.342 2.553 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 1.255 -8.857 1.797 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 0.238 -9.772 2.935 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.720 -14.049 0.811 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -1.521 -12.624 0.108 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 0.071 -13.139 -0.497 1.00 -0.09 H new ATOM 671 N ALA A 47 -0.030 -7.799 -0.348 1.00 -0.46 N ATOM 672 CA ALA A 47 0.042 -6.343 -0.198 1.00 0.04 C ATOM 673 C ALA A 47 -1.339 -5.733 -0.301 1.00 0.62 C ATOM 674 O ALA A 47 -1.726 -4.965 0.566 1.00 -0.50 O ATOM 675 CB ALA A 47 1.001 -5.627 -1.194 1.00 -0.10 C ATOM 0 H ALA A 47 0.560 -8.190 -1.082 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.465 -6.183 0.794 1.00 0.04 H new ATOM 0 HB1 ALA A 47 0.986 -4.554 -1.005 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.014 -6.005 -1.059 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 0.675 -5.820 -2.216 1.00 -0.10 H new ATOM 681 N CYS A 48 -2.122 -6.060 -1.353 1.00 -0.46 N ATOM 682 CA CYS A 48 -3.450 -5.459 -1.469 1.00 0.04 C ATOM 683 C CYS A 48 -4.262 -5.771 -0.231 1.00 0.62 C ATOM 684 O CYS A 48 -4.881 -4.878 0.319 1.00 -0.50 O ATOM 685 CB CYS A 48 -4.323 -6.017 -2.620 1.00 -0.10 C ATOM 686 SG CYS A 48 -3.516 -6.100 -4.243 1.00 0.82 S ATOM 0 H CYS A 48 -1.865 -6.708 -2.098 1.00 -0.46 H new ATOM 0 HA CYS A 48 -3.242 -4.402 -1.636 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -4.656 -7.019 -2.348 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -5.216 -5.398 -2.709 1.00 -0.10 H new ATOM 691 N THR A 49 -4.285 -7.055 0.197 1.00 -0.46 N ATOM 692 CA THR A 49 -5.148 -7.441 1.315 1.00 0.04 C ATOM 693 C THR A 49 -4.718 -6.635 2.520 1.00 0.62 C ATOM 694 O THR A 49 -5.533 -6.053 3.220 1.00 -0.50 O ATOM 695 CB THR A 49 -5.068 -8.958 1.671 1.00 0.17 C ATOM 696 OG1 THR A 49 -5.339 -9.810 0.542 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.133 -9.330 2.734 1.00 -0.19 C ATOM 0 H THR A 49 -3.732 -7.812 -0.205 1.00 -0.46 H new ATOM 0 HA THR A 49 -6.180 -7.245 1.023 1.00 0.04 H new ATOM 0 HB THR A 49 -4.050 -9.113 2.029 1.00 0.17 H new ATOM 0 HG1 THR A 49 -4.588 -9.769 -0.087 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.059 -10.392 2.967 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -5.963 -8.747 3.639 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -7.127 -9.113 2.344 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.389 -6.607 2.753 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.845 -5.884 3.893 1.00 0.04 C ATOM 707 C CYS A 50 -3.184 -4.414 3.836 1.00 0.62 C ATOM 708 O CYS A 50 -3.563 -3.853 4.851 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.302 -6.011 3.875 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.566 -5.040 5.221 1.00 0.82 S ATOM 0 H CYS A 50 -2.693 -7.072 2.170 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.277 -6.313 4.797 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -1.017 -7.058 3.976 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.914 -5.666 2.916 1.00 -0.10 H new ATOM 715 N LEU A 51 -3.016 -3.776 2.659 1.00 -0.46 N ATOM 716 CA LEU A 51 -3.239 -2.335 2.563 1.00 0.04 C ATOM 717 C LEU A 51 -4.716 -2.048 2.683 1.00 0.62 C ATOM 718 O LEU A 51 -5.114 -1.161 3.420 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.685 -1.775 1.226 1.00 -0.06 C ATOM 720 CG LEU A 51 -1.127 -1.867 1.143 1.00 -0.01 C ATOM 721 CD1 LEU A 51 -0.588 -1.812 -0.325 1.00 -0.11 C ATOM 722 CD2 LEU A 51 -0.441 -0.797 2.037 1.00 -0.11 C ATOM 0 H LEU A 51 -2.734 -4.228 1.789 1.00 -0.46 H new ATOM 0 HA LEU A 51 -2.707 -1.841 3.376 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -3.124 -2.326 0.394 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.991 -0.735 1.116 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.862 -2.850 1.532 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 0.500 -1.880 -0.316 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.999 -2.645 -0.895 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.889 -0.872 -0.788 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 0.642 -0.892 1.953 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.744 0.198 1.711 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -0.739 -0.945 3.075 1.00 -0.11 H new ATOM 734 N LYS A 52 -5.542 -2.824 1.953 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.992 -2.671 2.051 1.00 0.04 C ATOM 736 C LYS A 52 -7.432 -2.795 3.490 1.00 0.62 C ATOM 737 O LYS A 52 -8.260 -2.017 3.938 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.661 -3.752 1.155 1.00 -0.10 C ATOM 739 CG LYS A 52 -9.214 -3.748 1.161 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.789 -4.649 0.026 1.00 -0.18 C ATOM 741 CE LYS A 52 -9.511 -6.169 0.201 1.00 -0.04 C ATOM 742 NZ LYS A 52 -10.110 -6.722 1.441 1.00 -0.14 N ATOM 0 H LYS A 52 -5.230 -3.547 1.304 1.00 -0.46 H new ATOM 0 HA LYS A 52 -7.295 -1.683 1.704 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -7.317 -3.615 0.130 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.315 -4.734 1.478 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -9.577 -4.101 2.127 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -9.577 -2.728 1.037 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -10.866 -4.495 -0.032 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -9.369 -4.324 -0.926 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -9.906 -6.708 -0.660 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -8.434 -6.338 0.216 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -9.923 -7.744 1.491 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -9.690 -6.253 2.269 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -11.137 -6.558 1.434 1.00 -0.14 H new ATOM 756 N SER A 53 -6.873 -3.771 4.239 1.00 -0.46 N ATOM 757 CA SER A 53 -7.241 -3.914 5.648 1.00 0.04 C ATOM 758 C SER A 53 -6.728 -2.724 6.430 1.00 0.62 C ATOM 759 O SER A 53 -7.475 -2.146 7.202 1.00 -0.50 O ATOM 760 CB SER A 53 -6.671 -5.218 6.271 1.00 0.02 C ATOM 761 OG SER A 53 -7.154 -6.392 5.594 1.00 -0.55 O ATOM 0 H SER A 53 -6.189 -4.446 3.898 1.00 -0.46 H new ATOM 0 HA SER A 53 -8.329 -3.965 5.699 1.00 0.04 H new ATOM 0 HB2 SER A 53 -5.582 -5.196 6.227 1.00 0.02 H new ATOM 0 HB3 SER A 53 -6.946 -5.267 7.325 1.00 0.02 H new ATOM 0 HG SER A 53 -6.713 -6.472 4.722 1.00 -0.55 H new ATOM 767 N ALA A 54 -5.444 -2.344 6.238 1.00 -0.46 N ATOM 768 CA ALA A 54 -4.898 -1.192 6.959 1.00 0.04 C ATOM 769 C ALA A 54 -5.799 0.006 6.749 1.00 0.62 C ATOM 770 O ALA A 54 -6.381 0.513 7.696 1.00 -0.50 O ATOM 771 CB ALA A 54 -3.449 -0.818 6.518 1.00 -0.10 C ATOM 0 H ALA A 54 -4.790 -2.808 5.607 1.00 -0.46 H new ATOM 0 HA ALA A 54 -4.853 -1.474 8.011 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -3.105 0.043 7.091 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -2.784 -1.663 6.698 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -3.444 -0.573 5.456 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.919 0.470 5.490 1.00 -0.46 N ATOM 778 CA ALA A 55 -6.717 1.662 5.213 1.00 0.04 C ATOM 779 C ALA A 55 -8.135 1.458 5.711 1.00 0.62 C ATOM 780 O ALA A 55 -8.697 2.366 6.304 1.00 -0.50 O ATOM 781 CB ALA A 55 -6.637 1.964 3.698 1.00 -0.10 C ATOM 0 H ALA A 55 -5.482 0.044 4.672 1.00 -0.46 H new ATOM 0 HA ALA A 55 -6.329 2.531 5.744 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -7.228 2.852 3.472 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -5.599 2.138 3.416 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -7.028 1.116 3.137 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.728 0.258 5.512 1.00 -0.46 N ATOM 788 CA GLY A 56 -10.060 -0.010 6.061 1.00 0.04 C ATOM 789 C GLY A 56 -10.122 0.168 7.563 1.00 0.62 C ATOM 790 O GLY A 56 -11.144 0.608 8.066 1.00 -0.50 O ATOM 0 H GLY A 56 -8.313 -0.514 4.990 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -10.783 0.657 5.591 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -10.354 -1.029 5.808 1.00 0.04 H new ATOM 794 N ALA A 57 -9.050 -0.178 8.311 1.00 -0.46 N ATOM 795 CA ALA A 57 -9.057 0.037 9.760 1.00 0.04 C ATOM 796 C ALA A 57 -9.023 1.515 10.107 1.00 0.62 C ATOM 797 O ALA A 57 -9.600 1.902 11.111 1.00 -0.50 O ATOM 798 CB ALA A 57 -7.824 -0.630 10.427 1.00 -0.10 C ATOM 0 H ALA A 57 -8.196 -0.595 7.941 1.00 -0.46 H new ATOM 0 HA ALA A 57 -9.980 -0.409 10.132 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -7.853 -0.455 11.503 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -7.841 -1.702 10.233 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -6.911 -0.201 10.015 1.00 -0.10 H new ATOM 804 N ILE A 58 -8.335 2.361 9.306 1.00 -0.46 N ATOM 805 CA ILE A 58 -8.189 3.773 9.663 1.00 0.04 C ATOM 806 C ILE A 58 -9.553 4.438 9.527 1.00 0.62 C ATOM 807 O ILE A 58 -10.135 4.344 8.457 1.00 -0.50 O ATOM 808 CB ILE A 58 -7.124 4.520 8.793 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -5.718 3.843 8.724 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -6.993 6.029 9.172 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -4.920 3.774 10.058 1.00 -0.09 C ATOM 0 H ILE A 58 -7.886 2.091 8.431 1.00 -0.46 H new ATOM 0 HA ILE A 58 -7.826 3.832 10.689 1.00 0.04 H new ATOM 0 HB ILE A 58 -7.530 4.445 7.784 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -5.845 2.828 8.349 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -5.115 4.380 7.992 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -6.241 6.499 8.538 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -7.952 6.525 9.026 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -6.694 6.117 10.216 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.962 3.284 9.884 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.748 4.783 10.432 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -5.490 3.207 10.794 1.00 -0.09 H new ATOM 823 N SER A 59 -10.094 5.118 10.570 1.00 -0.46 N ATOM 824 CA SER A 59 -11.401 5.768 10.435 1.00 0.04 C ATOM 825 C SER A 59 -11.297 7.042 9.624 1.00 0.62 C ATOM 826 O SER A 59 -12.046 7.201 8.673 1.00 -0.50 O ATOM 827 CB SER A 59 -12.022 6.109 11.817 1.00 0.02 C ATOM 828 OG SER A 59 -12.053 4.946 12.660 1.00 -0.55 O ATOM 0 H SER A 59 -9.653 5.223 11.484 1.00 -0.46 H new ATOM 0 HA SER A 59 -12.047 5.056 9.921 1.00 0.04 H new ATOM 0 HB2 SER A 59 -11.442 6.897 12.297 1.00 0.02 H new ATOM 0 HB3 SER A 59 -13.033 6.494 11.682 1.00 0.02 H new ATOM 0 HG SER A 59 -12.446 5.181 13.527 1.00 -0.55 H new ATOM 834 N GLY A 60 -10.376 7.975 9.962 1.00 -0.46 N ATOM 835 CA GLY A 60 -10.254 9.212 9.186 1.00 0.04 C ATOM 836 C GLY A 60 -9.428 8.981 7.940 1.00 0.62 C ATOM 837 O GLY A 60 -8.498 9.730 7.696 1.00 -0.50 O ATOM 0 H GLY A 60 -9.728 7.892 10.745 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -11.245 9.573 8.910 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -9.791 9.987 9.797 1.00 0.04 H new ATOM 841 N ILE A 61 -9.751 7.943 7.135 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.927 7.589 5.982 1.00 0.04 C ATOM 843 C ILE A 61 -9.343 8.434 4.801 1.00 0.62 C ATOM 844 O ILE A 61 -10.539 8.579 4.601 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.971 6.055 5.703 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.897 5.600 4.668 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -10.361 5.464 5.330 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -8.343 5.674 3.187 1.00 -0.09 C ATOM 0 H ILE A 61 -10.569 7.349 7.269 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.880 7.808 6.189 1.00 0.04 H new ATOM 0 HB ILE A 61 -8.733 5.635 6.680 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -7.007 6.217 4.795 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -7.608 4.574 4.894 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -10.266 4.392 5.159 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -11.062 5.641 6.145 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.729 5.945 4.424 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.529 5.338 2.545 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -9.212 5.034 3.036 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.602 6.703 2.936 1.00 -0.09 H new ATOM 860 N ASN A 62 -8.396 8.996 4.005 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.776 9.779 2.826 1.00 0.04 C ATOM 862 C ASN A 62 -8.516 8.955 1.582 1.00 0.62 C ATOM 863 O ASN A 62 -7.373 8.605 1.331 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.989 11.112 2.746 1.00 -0.09 C ATOM 865 CG ASN A 62 -8.585 12.174 3.637 1.00 0.68 C ATOM 866 OD1 ASN A 62 -8.757 11.925 4.820 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -8.914 13.377 3.120 1.00 -0.87 N ATOM 0 H ASN A 62 -7.391 8.918 4.162 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.835 10.025 2.903 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -6.952 10.938 3.033 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -7.980 11.467 1.715 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -9.314 14.098 3.720 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -8.762 13.565 2.129 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.561 8.651 0.779 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.353 7.888 -0.453 1.00 0.04 C ATOM 876 C LEU A 63 -8.352 8.597 -1.340 1.00 0.62 C ATOM 877 O LEU A 63 -7.459 7.958 -1.873 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.710 7.727 -1.196 1.00 -0.06 C ATOM 879 CG LEU A 63 -10.656 6.969 -2.557 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -10.158 5.508 -2.387 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -12.071 6.995 -3.207 1.00 -0.11 C ATOM 0 H LEU A 63 -10.528 8.918 0.962 1.00 -0.46 H new ATOM 0 HA LEU A 63 -8.960 6.902 -0.206 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.403 7.203 -0.538 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.126 8.719 -1.371 1.00 -0.06 H new ATOM 0 HG LEU A 63 -9.940 7.472 -3.207 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -10.135 5.016 -3.359 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -9.155 5.513 -1.959 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -10.833 4.968 -1.723 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -12.043 6.467 -4.160 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -12.785 6.508 -2.543 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -12.376 8.028 -3.373 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.479 9.935 -1.502 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.526 10.663 -2.338 1.00 0.04 C ATOM 895 C GLY A 64 -6.097 10.438 -1.903 1.00 0.62 C ATOM 896 O GLY A 64 -5.231 10.345 -2.756 1.00 -0.50 O ATOM 0 H GLY A 64 -9.209 10.506 -1.077 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -7.642 10.349 -3.375 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -7.752 11.729 -2.300 1.00 0.04 H new ATOM 900 N LYS A 65 -5.818 10.356 -0.582 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.448 10.111 -0.124 1.00 0.04 C ATOM 902 C LYS A 65 -4.063 8.681 -0.415 1.00 0.62 C ATOM 903 O LYS A 65 -2.997 8.479 -0.974 1.00 -0.50 O ATOM 904 CB LYS A 65 -4.270 10.431 1.383 1.00 -0.10 C ATOM 905 CG LYS A 65 -4.217 11.968 1.610 1.00 -0.16 C ATOM 906 CD LYS A 65 -4.227 12.331 3.121 1.00 -0.18 C ATOM 907 CE LYS A 65 -3.471 13.644 3.443 1.00 -0.04 C ATOM 908 NZ LYS A 65 -4.011 14.823 2.725 1.00 -0.14 N ATOM 0 H LYS A 65 -6.509 10.454 0.162 1.00 -0.46 H new ATOM 0 HA LYS A 65 -3.786 10.783 -0.670 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -5.095 10.002 1.952 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -3.354 9.971 1.753 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -3.318 12.373 1.145 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -5.069 12.437 1.118 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -5.259 12.423 3.458 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -3.778 11.514 3.686 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -3.518 13.828 4.516 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -2.419 13.522 3.186 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -3.235 15.324 2.247 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -4.708 14.510 2.019 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -4.469 15.463 3.404 1.00 -0.14 H new ATOM 922 N ALA A 66 -4.908 7.680 -0.092 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.600 6.307 -0.503 1.00 0.04 C ATOM 924 C ALA A 66 -4.230 6.250 -1.969 1.00 0.62 C ATOM 925 O ALA A 66 -3.166 5.754 -2.307 1.00 -0.50 O ATOM 926 CB ALA A 66 -5.786 5.372 -0.167 1.00 -0.10 C ATOM 0 H ALA A 66 -5.775 7.794 0.432 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.732 5.958 0.056 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.546 4.355 -0.477 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -5.971 5.390 0.907 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.678 5.711 -0.694 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.094 6.782 -2.856 1.00 -0.46 N ATOM 933 CA ALA A 67 -4.747 6.844 -4.277 1.00 0.04 C ATOM 934 C ALA A 67 -3.649 7.846 -4.577 1.00 0.62 C ATOM 935 O ALA A 67 -3.014 7.720 -5.612 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.022 7.059 -5.129 1.00 -0.10 C ATOM 0 H ALA A 67 -6.010 7.163 -2.617 1.00 -0.46 H new ATOM 0 HA ALA A 67 -4.320 5.882 -4.560 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -5.751 7.104 -6.184 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -6.712 6.231 -4.966 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -6.501 7.994 -4.838 1.00 -0.10 H new ATOM 942 N GLY A 68 -3.372 8.840 -3.706 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.225 9.730 -3.906 1.00 0.04 C ATOM 944 C GLY A 68 -0.897 9.081 -3.575 1.00 0.62 C ATOM 945 O GLY A 68 0.111 9.502 -4.117 1.00 -0.50 O ATOM 0 H GLY A 68 -3.923 9.039 -2.871 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.210 10.064 -4.944 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -2.351 10.618 -3.287 1.00 0.04 H new ATOM 949 N LEU A 69 -0.835 8.065 -2.689 1.00 -0.46 N ATOM 950 CA LEU A 69 0.455 7.449 -2.347 1.00 0.04 C ATOM 951 C LEU A 69 1.264 7.026 -3.569 1.00 0.62 C ATOM 952 O LEU A 69 2.415 7.439 -3.620 1.00 -0.50 O ATOM 953 CB LEU A 69 0.319 6.245 -1.373 1.00 -0.06 C ATOM 954 CG LEU A 69 -0.483 6.487 -0.056 1.00 -0.01 C ATOM 955 CD1 LEU A 69 -0.582 5.195 0.790 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.072 7.627 0.825 1.00 -0.11 C ATOM 0 H LEU A 69 -1.642 7.665 -2.211 1.00 -0.46 H new ATOM 0 HA LEU A 69 1.000 8.243 -1.836 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.155 5.425 -1.912 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 1.321 5.912 -1.103 1.00 -0.06 H new ATOM 0 HG LEU A 69 -1.474 6.795 -0.391 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 -1.147 5.398 1.700 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 -1.089 4.421 0.214 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 0.420 4.855 1.053 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 -0.543 7.728 1.719 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 1.098 7.397 1.114 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 0.054 8.562 0.265 1.00 -0.11 H new ATOM 968 N PRO A 70 0.792 6.249 -4.588 1.00 -0.23 N ATOM 969 CA PRO A 70 1.633 5.984 -5.752 1.00 0.04 C ATOM 970 C PRO A 70 2.041 7.256 -6.458 1.00 0.53 C ATOM 971 O PRO A 70 3.043 7.216 -7.151 1.00 -0.50 O ATOM 972 CB PRO A 70 0.650 5.214 -6.675 1.00 -0.12 C ATOM 973 CG PRO A 70 -0.733 5.666 -6.160 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.551 5.682 -4.625 1.00 -0.01 C ATOM 0 HA PRO A 70 2.556 5.466 -5.492 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.795 5.472 -7.724 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.779 4.135 -6.592 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.004 6.650 -6.544 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.521 4.977 -6.465 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.289 6.302 -4.115 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -0.606 4.689 -4.179 1.00 -0.01 H new ATOM 982 N SER A 71 1.296 8.378 -6.324 1.00 -0.46 N ATOM 983 CA SER A 71 1.689 9.614 -6.998 1.00 0.04 C ATOM 984 C SER A 71 2.756 10.310 -6.180 1.00 0.62 C ATOM 985 O SER A 71 3.823 10.606 -6.697 1.00 -0.50 O ATOM 986 CB SER A 71 0.465 10.550 -7.199 1.00 0.02 C ATOM 987 OG SER A 71 0.851 11.787 -7.819 1.00 -0.55 O ATOM 0 H SER A 71 0.443 8.443 -5.768 1.00 -0.46 H new ATOM 0 HA SER A 71 2.086 9.369 -7.983 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.281 10.049 -7.815 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.002 10.754 -6.235 1.00 0.02 H new ATOM 0 HG SER A 71 0.061 12.355 -7.935 1.00 -0.55 H new ATOM 993 N THR A 72 2.484 10.579 -4.882 1.00 -0.46 N ATOM 994 CA THR A 72 3.459 11.275 -4.045 1.00 0.04 C ATOM 995 C THR A 72 4.727 10.466 -3.960 1.00 0.62 C ATOM 996 O THR A 72 5.810 10.998 -4.142 1.00 -0.50 O ATOM 997 CB THR A 72 2.893 11.481 -2.614 1.00 0.17 C ATOM 998 OG1 THR A 72 1.549 11.987 -2.678 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.790 12.423 -1.776 1.00 -0.19 C ATOM 0 H THR A 72 1.615 10.327 -4.410 1.00 -0.46 H new ATOM 0 HA THR A 72 3.669 12.247 -4.492 1.00 0.04 H new ATOM 0 HB THR A 72 2.882 10.511 -2.117 1.00 0.17 H new ATOM 0 HG1 THR A 72 1.203 12.111 -1.770 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.362 12.543 -0.781 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.789 11.995 -1.692 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.852 13.396 -2.264 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.600 9.149 -3.684 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.754 8.260 -3.744 1.00 0.04 C ATOM 1009 C CYS A 73 5.755 7.662 -5.126 1.00 0.62 C ATOM 1010 O CYS A 73 5.411 6.503 -5.264 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.657 7.204 -2.616 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.746 8.004 -0.979 1.00 0.82 S ATOM 0 H CYS A 73 3.724 8.697 -3.424 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.698 8.779 -3.580 1.00 0.04 H new ATOM 0 HB2 CYS A 73 4.722 6.652 -2.707 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.466 6.480 -2.718 1.00 -0.10 H new ATOM 1017 N GLY A 74 6.145 8.449 -6.150 1.00 -0.46 N ATOM 1018 CA GLY A 74 6.237 7.918 -7.508 1.00 0.04 C ATOM 1019 C GLY A 74 7.024 6.636 -7.570 1.00 0.62 C ATOM 1020 O GLY A 74 8.213 6.670 -7.298 1.00 -0.50 O ATOM 0 H GLY A 74 6.395 9.434 -6.057 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 5.233 7.744 -7.896 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.705 8.660 -8.155 1.00 0.04 H new ATOM 1024 N VAL A 75 6.392 5.499 -7.926 1.00 -0.46 N ATOM 1025 CA VAL A 75 7.113 4.223 -8.039 1.00 0.04 C ATOM 1026 C VAL A 75 6.475 3.450 -9.207 1.00 0.62 C ATOM 1027 O VAL A 75 5.950 4.114 -10.083 1.00 -0.50 O ATOM 1028 CB VAL A 75 7.043 3.536 -6.640 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 7.836 4.206 -5.492 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 5.574 3.279 -6.251 1.00 -0.09 C ATOM 0 H VAL A 75 5.396 5.442 -8.137 1.00 -0.46 H new ATOM 0 HA VAL A 75 8.173 4.306 -8.279 1.00 0.04 H new ATOM 0 HB VAL A 75 7.572 2.592 -6.770 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.704 3.631 -4.575 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.894 4.238 -5.751 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.469 5.221 -5.340 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 5.535 2.799 -5.273 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 5.037 4.227 -6.212 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 5.110 2.629 -6.993 1.00 -0.09 H new ATOM 1040 N ASN A 76 6.468 2.098 -9.261 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.812 1.329 -10.316 1.00 0.04 C ATOM 1042 C ASN A 76 4.945 0.227 -9.708 1.00 0.62 C ATOM 1043 O ASN A 76 5.086 -0.925 -10.087 1.00 -0.50 O ATOM 1044 CB ASN A 76 6.959 0.758 -11.192 1.00 -0.09 C ATOM 1045 CG ASN A 76 6.474 -0.062 -12.362 1.00 0.68 C ATOM 1046 OD1 ASN A 76 5.649 0.433 -13.115 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 6.950 -1.305 -12.571 1.00 -0.87 N ATOM 0 H ASN A 76 6.926 1.515 -8.561 1.00 -0.46 H new ATOM 0 HA ASN A 76 5.139 1.939 -10.918 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.566 1.583 -11.564 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 7.607 0.141 -10.570 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 6.622 -1.849 -13.369 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 7.639 -1.702 -11.931 1.00 -0.87 H new ATOM 1054 N ILE A 77 4.047 0.562 -8.745 1.00 -0.46 N ATOM 1055 CA ILE A 77 3.235 -0.464 -8.071 1.00 0.04 C ATOM 1056 C ILE A 77 2.065 -0.795 -8.982 1.00 0.62 C ATOM 1057 O ILE A 77 1.426 0.174 -9.361 1.00 -0.50 O ATOM 1058 CB ILE A 77 2.714 -0.139 -6.620 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 2.197 1.326 -6.431 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 3.756 -0.503 -5.515 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 1.626 1.626 -5.023 1.00 -0.09 C ATOM 0 H ILE A 77 3.875 1.516 -8.429 1.00 -0.46 H new ATOM 0 HA ILE A 77 3.908 -1.305 -7.903 1.00 0.04 H new ATOM 0 HB ILE A 77 1.845 -0.786 -6.499 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 3.016 2.016 -6.632 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 1.424 1.524 -7.173 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 3.347 -0.259 -4.535 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.977 -1.569 -5.561 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 4.672 0.065 -5.677 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 1.291 2.662 -4.979 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.784 0.964 -4.823 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 2.401 1.464 -4.274 1.00 -0.09 H new ATOM 1073 N PRO A 78 1.666 -2.039 -9.385 1.00 -0.23 N ATOM 1074 CA PRO A 78 0.476 -2.186 -10.230 1.00 0.04 C ATOM 1075 C PRO A 78 -0.865 -1.927 -9.556 1.00 0.53 C ATOM 1076 O PRO A 78 -1.809 -2.646 -9.842 1.00 -0.50 O ATOM 1077 CB PRO A 78 0.610 -3.673 -10.673 1.00 -0.12 C ATOM 1078 CG PRO A 78 2.059 -4.086 -10.327 1.00 -0.12 C ATOM 1079 CD PRO A 78 2.396 -3.263 -9.067 1.00 -0.01 C ATOM 0 HA PRO A 78 0.458 -1.443 -11.027 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -0.111 -4.303 -10.152 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 0.416 -3.782 -11.740 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 2.133 -5.156 -10.135 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 2.743 -3.861 -11.145 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 2.044 -3.736 -8.150 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 3.466 -3.095 -8.949 1.00 -0.01 H new ATOM 1087 N TYR A 79 -1.008 -0.934 -8.649 1.00 -0.46 N ATOM 1088 CA TYR A 79 -2.280 -0.715 -7.956 1.00 0.04 C ATOM 1089 C TYR A 79 -2.274 0.663 -7.338 1.00 0.62 C ATOM 1090 O TYR A 79 -1.207 1.240 -7.211 1.00 -0.50 O ATOM 1091 CB TYR A 79 -2.526 -1.752 -6.830 1.00 -0.10 C ATOM 1092 CG TYR A 79 -1.233 -1.939 -6.023 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -0.297 -2.863 -6.483 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -0.942 -1.229 -4.859 1.00 0.00 C ATOM 1095 CE1 TYR A 79 0.741 -3.274 -5.654 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 0.135 -1.596 -4.042 1.00 -0.26 C ATOM 1097 CZ TYR A 79 0.953 -2.658 -4.425 1.00 0.46 C ATOM 1098 OH TYR A 79 1.968 -3.108 -3.602 1.00 -0.53 O ATOM 0 H TYR A 79 -0.265 -0.285 -8.389 1.00 -0.46 H new ATOM 0 HA TYR A 79 -3.075 -0.820 -8.694 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -3.330 -1.413 -6.177 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -2.842 -2.703 -7.258 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -0.378 -3.260 -7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.556 -0.384 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.389 -4.079 -5.967 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 0.330 -1.061 -3.124 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.616 -3.256 -2.699 1.00 -0.53 H new ATOM 1108 N LYS A 80 -3.468 1.173 -6.952 1.00 -0.46 N ATOM 1109 CA LYS A 80 -3.564 2.516 -6.380 1.00 0.04 C ATOM 1110 C LYS A 80 -3.856 2.490 -4.887 1.00 0.62 C ATOM 1111 O LYS A 80 -4.252 3.494 -4.325 1.00 -0.50 O ATOM 1112 CB LYS A 80 -4.457 3.420 -7.288 1.00 -0.10 C ATOM 1113 CG LYS A 80 -5.823 2.784 -7.686 1.00 -0.16 C ATOM 1114 CD LYS A 80 -6.713 3.667 -8.611 1.00 -0.18 C ATOM 1115 CE LYS A 80 -7.147 5.016 -7.982 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -8.063 5.761 -8.882 1.00 -0.14 N ATOM 0 H LYS A 80 -4.356 0.677 -7.028 1.00 -0.46 H new ATOM 0 HA LYS A 80 -2.593 3.011 -6.392 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -4.645 4.361 -6.770 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -3.904 3.661 -8.196 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -5.633 1.835 -8.187 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -6.381 2.558 -6.777 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -6.169 3.868 -9.534 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -7.605 3.103 -8.883 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -7.641 4.833 -7.028 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -6.266 5.623 -7.773 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -8.336 6.659 -8.434 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -7.582 5.956 -9.783 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -8.914 5.191 -9.061 1.00 -0.14 H new ATOM 1130 N ILE A 81 -3.636 1.337 -4.212 1.00 -0.46 N ATOM 1131 CA ILE A 81 -3.696 1.253 -2.748 1.00 0.04 C ATOM 1132 C ILE A 81 -5.092 1.627 -2.329 1.00 0.62 C ATOM 1133 O ILE A 81 -5.269 2.224 -1.285 1.00 -0.50 O ATOM 1134 CB ILE A 81 -2.567 2.037 -1.988 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -1.180 1.766 -2.647 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -2.501 1.598 -0.495 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 0.058 2.279 -1.864 1.00 -0.09 C ATOM 0 H ILE A 81 -3.415 0.452 -4.668 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.482 0.227 -2.448 1.00 0.04 H new ATOM 0 HB ILE A 81 -2.804 3.099 -2.046 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.073 0.691 -2.792 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.175 2.224 -3.636 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.712 2.153 0.013 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -3.457 1.802 -0.013 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -2.287 0.531 -0.439 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.965 2.035 -2.417 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -0.012 3.360 -1.741 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 0.091 1.803 -0.884 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.129 1.289 -3.124 1.00 -0.46 N ATOM 1150 CA SER A 82 -7.477 1.740 -2.775 1.00 0.04 C ATOM 1151 C SER A 82 -8.131 0.713 -1.881 1.00 0.62 C ATOM 1152 O SER A 82 -7.998 -0.448 -2.236 1.00 -0.50 O ATOM 1153 CB SER A 82 -8.316 2.005 -4.053 1.00 0.02 C ATOM 1154 OG SER A 82 -7.958 3.279 -4.621 1.00 -0.55 O ATOM 0 H SER A 82 -6.059 0.730 -3.974 1.00 -0.46 H new ATOM 0 HA SER A 82 -7.416 2.683 -2.232 1.00 0.04 H new ATOM 0 HB2 SER A 82 -8.145 1.212 -4.781 1.00 0.02 H new ATOM 0 HB3 SER A 82 -9.378 1.991 -3.810 1.00 0.02 H new ATOM 0 HG SER A 82 -8.490 3.439 -5.428 1.00 -0.55 H new ATOM 1160 N PRO A 83 -8.826 1.043 -0.758 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.444 0.003 0.049 1.00 0.04 C ATOM 1162 C PRO A 83 -10.646 -0.614 -0.626 1.00 0.53 C ATOM 1163 O PRO A 83 -11.767 -0.422 -0.186 1.00 -0.50 O ATOM 1164 CB PRO A 83 -9.783 0.780 1.343 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.977 2.235 0.852 1.00 -0.12 C ATOM 1166 CD PRO A 83 -8.934 2.408 -0.275 1.00 -0.01 C ATOM 0 HA PRO A 83 -8.810 -0.866 0.227 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -10.684 0.394 1.818 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -8.980 0.708 2.076 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -10.990 2.397 0.483 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -9.813 2.951 1.658 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -9.273 3.095 -1.050 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -7.984 2.791 0.097 1.00 -0.01 H new ATOM 1174 N SER A 84 -10.385 -1.366 -1.717 1.00 -0.46 N ATOM 1175 CA SER A 84 -11.458 -1.919 -2.536 1.00 0.04 C ATOM 1176 C SER A 84 -10.857 -2.913 -3.507 1.00 0.62 C ATOM 1177 O SER A 84 -11.324 -4.038 -3.552 1.00 -0.50 O ATOM 1178 CB SER A 84 -12.263 -0.819 -3.290 1.00 0.02 C ATOM 1179 OG SER A 84 -12.718 0.237 -2.432 1.00 -0.55 O ATOM 0 H SER A 84 -9.445 -1.596 -2.040 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.173 -2.417 -1.881 1.00 0.04 H new ATOM 0 HB2 SER A 84 -11.638 -0.396 -4.076 1.00 0.02 H new ATOM 0 HB3 SER A 84 -13.123 -1.278 -3.778 1.00 0.02 H new ATOM 0 HG SER A 84 -12.749 -0.084 -1.507 1.00 -0.55 H new ATOM 1185 N THR A 85 -9.806 -2.498 -4.257 1.00 -0.46 N ATOM 1186 CA THR A 85 -9.063 -3.431 -5.108 1.00 0.04 C ATOM 1187 C THR A 85 -9.007 -4.820 -4.500 1.00 0.62 C ATOM 1188 O THR A 85 -8.356 -4.993 -3.481 1.00 -0.50 O ATOM 1189 CB THR A 85 -7.594 -2.951 -5.276 1.00 0.17 C ATOM 1190 OG1 THR A 85 -7.552 -1.561 -5.632 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -6.835 -3.802 -6.331 1.00 -0.19 C ATOM 0 H THR A 85 -9.466 -1.537 -4.283 1.00 -0.46 H new ATOM 0 HA THR A 85 -9.583 -3.464 -6.065 1.00 0.04 H new ATOM 0 HB THR A 85 -7.094 -3.082 -4.317 1.00 0.17 H new ATOM 0 HG1 THR A 85 -6.619 -1.277 -5.732 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -5.811 -3.439 -6.423 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -6.823 -4.846 -6.016 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -7.337 -3.719 -7.295 1.00 -0.19 H new ATOM 1199 N ASP A 86 -9.675 -5.823 -5.105 1.00 -0.46 N ATOM 1200 CA ASP A 86 -9.580 -7.184 -4.600 1.00 0.04 C ATOM 1201 C ASP A 86 -8.412 -7.842 -5.298 1.00 0.62 C ATOM 1202 O ASP A 86 -8.337 -7.719 -6.511 1.00 -0.50 O ATOM 1203 CB ASP A 86 -10.892 -7.955 -4.905 1.00 -0.40 C ATOM 1204 CG ASP A 86 -10.762 -9.371 -4.421 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -10.712 -9.570 -3.179 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -10.674 -10.297 -5.274 1.00 -0.72 O ATOM 0 H ASP A 86 -10.270 -5.709 -5.925 1.00 -0.46 H new ATOM 0 HA ASP A 86 -9.432 -7.188 -3.520 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -11.735 -7.468 -4.416 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -11.094 -7.942 -5.976 1.00 -0.40 H new ATOM 1211 N CYS A 87 -7.490 -8.529 -4.585 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.411 -9.244 -5.265 1.00 0.04 C ATOM 1213 C CYS A 87 -6.472 -10.700 -4.873 1.00 0.62 C ATOM 1214 O CYS A 87 -5.552 -11.211 -4.258 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.053 -8.594 -4.929 1.00 -0.10 C ATOM 1216 SG CYS A 87 -5.029 -6.835 -5.379 1.00 0.82 S ATOM 0 H CYS A 87 -7.478 -8.597 -3.567 1.00 -0.46 H new ATOM 0 HA CYS A 87 -6.528 -9.182 -6.347 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -4.851 -8.701 -3.863 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -4.257 -9.117 -5.459 1.00 -0.10 H new