USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0 (180deg=-0.0867) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 178:sc= -1.28! USER MOD Single : A 45 GLN : amide:sc= -3.09! K(o=-3.1!,f=-0.7) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 129:sc= -3.42! USER MOD Single : A 55 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.02) USER MOD Single : A 56 SER OG : rot 180:sc= -0.404 USER MOD Single : A 58 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.6!) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 0.339 (180deg=0.103) USER MOD Single : A 63 SER OG : rot -171:sc= -0.254 USER MOD Single : A 75 SER OG : rot 135:sc= -2.01! USER MOD Single : A 92 SER OG : rot 111:sc= -2.4! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.004 -16.188 -22.410 1.00 0.00 N ATOM 2 CA ALA A 1 -0.344 -17.609 -22.121 1.00 0.00 C ATOM 3 C ALA A 1 -0.005 -17.974 -20.677 1.00 0.00 C ATOM 4 O ALA A 1 -0.746 -18.707 -20.022 1.00 0.00 O ATOM 5 CB ALA A 1 0.381 -18.536 -23.086 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.381 -15.923 -23.342 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.422 -15.576 -21.681 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.029 -16.071 -22.409 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.418 -17.732 -22.257 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.122 -19.570 -22.861 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.084 -18.301 -24.108 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.457 -18.401 -22.981 1.00 0.00 H new ATOM 13 N VAL A 2 1.120 -17.458 -20.189 1.00 0.00 N ATOM 14 CA VAL A 2 1.559 -17.729 -18.825 1.00 0.00 C ATOM 15 C VAL A 2 2.530 -16.658 -18.336 1.00 0.00 C ATOM 16 O VAL A 2 2.667 -15.603 -18.956 1.00 0.00 O ATOM 17 CB VAL A 2 2.223 -19.118 -18.717 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.179 -20.218 -18.811 1.00 0.00 C ATOM 19 CG2 VAL A 2 3.287 -19.290 -19.794 1.00 0.00 C ATOM 0 H VAL A 2 1.744 -16.850 -20.719 1.00 0.00 H new ATOM 0 HA VAL A 2 0.671 -17.715 -18.193 1.00 0.00 H new ATOM 0 HB VAL A 2 2.709 -19.191 -17.744 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.666 -21.190 -18.733 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.459 -20.107 -18.000 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.661 -20.148 -19.768 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.743 -20.276 -19.701 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.828 -19.194 -20.778 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.052 -18.523 -19.675 1.00 0.00 H new ATOM 29 N LEU A 3 3.170 -16.917 -17.201 1.00 0.00 N ATOM 30 CA LEU A 3 4.090 -15.982 -16.600 1.00 0.00 C ATOM 31 C LEU A 3 5.413 -15.901 -17.329 1.00 0.00 C ATOM 32 O LEU A 3 5.764 -16.767 -18.130 1.00 0.00 O ATOM 33 CB LEU A 3 4.365 -16.383 -15.146 1.00 0.00 C ATOM 34 CG LEU A 3 3.584 -15.609 -14.090 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.078 -14.320 -14.687 1.00 0.00 C ATOM 36 CD2 LEU A 3 2.429 -16.443 -13.553 1.00 0.00 C ATOM 0 H LEU A 3 3.059 -17.785 -16.677 1.00 0.00 H new ATOM 0 HA LEU A 3 3.614 -15.003 -16.657 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.142 -17.444 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.430 -16.258 -14.949 1.00 0.00 H new ATOM 0 HG LEU A 3 4.245 -15.381 -13.254 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.519 -13.765 -13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.922 -13.721 -15.027 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.426 -14.542 -15.532 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.886 -15.871 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.755 -16.700 -14.370 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.818 -17.356 -13.103 1.00 0.00 H new ATOM 48 N ASP A 4 6.160 -14.857 -16.994 1.00 0.00 N ATOM 49 CA ASP A 4 7.465 -14.645 -17.555 1.00 0.00 C ATOM 50 C ASP A 4 8.448 -15.534 -16.816 1.00 0.00 C ATOM 51 O ASP A 4 8.839 -16.597 -17.298 1.00 0.00 O ATOM 52 CB ASP A 4 7.855 -13.164 -17.464 1.00 0.00 C ATOM 53 CG ASP A 4 8.949 -12.782 -18.441 1.00 0.00 C ATOM 54 OD1 ASP A 4 10.139 -12.889 -18.072 1.00 0.00 O ATOM 55 OD2 ASP A 4 8.619 -12.370 -19.572 1.00 0.00 O ATOM 0 H ASP A 4 5.869 -14.142 -16.327 1.00 0.00 H new ATOM 0 HA ASP A 4 7.473 -14.907 -18.613 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.975 -12.549 -17.653 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.187 -12.942 -16.450 1.00 0.00 H new ATOM 60 N LEU A 5 8.793 -15.104 -15.625 1.00 0.00 N ATOM 61 CA LEU A 5 9.678 -15.849 -14.753 1.00 0.00 C ATOM 62 C LEU A 5 8.943 -17.059 -14.190 1.00 0.00 C ATOM 63 O LEU A 5 9.124 -18.194 -14.636 1.00 0.00 O ATOM 64 CB LEU A 5 10.219 -14.947 -13.606 1.00 0.00 C ATOM 65 CG LEU A 5 9.202 -14.306 -12.634 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.813 -14.144 -13.260 1.00 0.00 C ATOM 67 CD2 LEU A 5 9.182 -15.060 -11.304 1.00 0.00 C ATOM 0 H LEU A 5 8.467 -14.222 -15.229 1.00 0.00 H new ATOM 0 HA LEU A 5 10.535 -16.193 -15.333 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.914 -15.543 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.797 -14.142 -14.061 1.00 0.00 H new ATOM 0 HG LEU A 5 9.534 -13.290 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.138 -13.689 -12.535 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.883 -13.506 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.428 -15.122 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.460 -14.594 -10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.898 -16.098 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.173 -15.026 -10.851 1.00 0.00 H new ATOM 79 N ASP A 6 8.141 -16.785 -13.194 1.00 0.00 N ATOM 80 CA ASP A 6 7.364 -17.750 -12.495 1.00 0.00 C ATOM 81 C ASP A 6 6.139 -17.095 -11.859 1.00 0.00 C ATOM 82 O ASP A 6 5.006 -17.468 -12.163 1.00 0.00 O ATOM 83 CB ASP A 6 8.226 -18.405 -11.419 1.00 0.00 C ATOM 84 CG ASP A 6 8.317 -19.914 -11.556 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.505 -20.399 -12.690 1.00 0.00 O ATOM 86 OD2 ASP A 6 8.208 -20.609 -10.523 1.00 0.00 O ATOM 0 H ASP A 6 8.013 -15.837 -12.840 1.00 0.00 H new ATOM 0 HA ASP A 6 7.019 -18.507 -13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.230 -17.983 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 6 7.818 -18.160 -10.438 1.00 0.00 H new ATOM 91 N VAL A 7 6.367 -16.124 -10.966 1.00 0.00 N ATOM 92 CA VAL A 7 5.249 -15.453 -10.295 1.00 0.00 C ATOM 93 C VAL A 7 5.168 -13.935 -10.529 1.00 0.00 C ATOM 94 O VAL A 7 4.208 -13.291 -10.107 1.00 0.00 O ATOM 95 CB VAL A 7 5.302 -15.717 -8.779 1.00 0.00 C ATOM 96 CG1 VAL A 7 5.385 -17.212 -8.498 1.00 0.00 C ATOM 97 CG2 VAL A 7 6.482 -14.983 -8.162 1.00 0.00 C ATOM 0 H VAL A 7 7.293 -15.792 -10.696 1.00 0.00 H new ATOM 0 HA VAL A 7 4.355 -15.883 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 7 4.385 -15.340 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.422 -17.378 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.508 -17.709 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.285 -17.619 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.510 -15.176 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.408 -15.334 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.375 -13.912 -8.335 1.00 0.00 H new ATOM 107 N ARG A 8 6.160 -13.374 -11.192 1.00 0.00 N ATOM 108 CA ARG A 8 6.201 -11.963 -11.479 1.00 0.00 C ATOM 109 C ARG A 8 5.554 -11.635 -12.821 1.00 0.00 C ATOM 110 O ARG A 8 4.905 -12.478 -13.442 1.00 0.00 O ATOM 111 CB ARG A 8 7.645 -11.488 -11.471 1.00 0.00 C ATOM 112 CG ARG A 8 8.211 -11.334 -10.082 1.00 0.00 C ATOM 113 CD ARG A 8 9.700 -11.039 -10.120 1.00 0.00 C ATOM 114 NE ARG A 8 10.167 -10.426 -8.876 1.00 0.00 N ATOM 115 CZ ARG A 8 10.867 -11.064 -7.939 1.00 0.00 C ATOM 116 NH1 ARG A 8 11.198 -12.342 -8.090 1.00 0.00 N ATOM 117 NH2 ARG A 8 11.236 -10.418 -6.840 1.00 0.00 N ATOM 0 H ARG A 8 6.963 -13.892 -11.547 1.00 0.00 H new ATOM 0 HA ARG A 8 5.632 -11.446 -10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.257 -12.196 -12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.709 -10.532 -11.991 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.692 -10.528 -9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.034 -12.246 -9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.249 -11.964 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.917 -10.374 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 8 9.941 -9.444 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.916 -12.846 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.734 -12.819 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.984 -9.438 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.772 -10.902 -6.120 1.00 0.00 H new ATOM 131 N THR A 9 5.754 -10.394 -13.254 1.00 0.00 N ATOM 132 CA THR A 9 5.233 -9.898 -14.505 1.00 0.00 C ATOM 133 C THR A 9 6.230 -10.143 -15.645 1.00 0.00 C ATOM 134 O THR A 9 7.255 -10.798 -15.448 1.00 0.00 O ATOM 135 CB THR A 9 4.945 -8.407 -14.355 1.00 0.00 C ATOM 136 OG1 THR A 9 5.719 -7.853 -13.305 1.00 0.00 O ATOM 137 CG2 THR A 9 3.494 -8.094 -14.059 1.00 0.00 C ATOM 0 H THR A 9 6.291 -9.702 -12.732 1.00 0.00 H new ATOM 0 HA THR A 9 4.313 -10.428 -14.753 1.00 0.00 H new ATOM 0 HB THR A 9 5.203 -7.970 -15.320 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.523 -6.896 -13.224 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.366 -7.016 -13.966 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.869 -8.465 -14.871 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.201 -8.576 -13.126 1.00 0.00 H new ATOM 145 N CYS A 10 5.933 -9.621 -16.839 1.00 0.00 N ATOM 146 CA CYS A 10 6.820 -9.803 -17.992 1.00 0.00 C ATOM 147 C CYS A 10 8.215 -9.215 -17.723 1.00 0.00 C ATOM 148 O CYS A 10 9.072 -9.897 -17.163 1.00 0.00 O ATOM 149 CB CYS A 10 6.197 -9.204 -19.262 1.00 0.00 C ATOM 150 SG CYS A 10 6.743 -10.011 -20.807 1.00 0.00 S ATOM 0 H CYS A 10 5.094 -9.074 -17.032 1.00 0.00 H new ATOM 0 HA CYS A 10 6.943 -10.874 -18.153 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.112 -9.275 -19.191 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.444 -8.144 -19.311 1.00 0.00 H new ATOM 155 N LEU A 11 8.446 -7.956 -18.113 1.00 0.00 N ATOM 156 CA LEU A 11 9.744 -7.313 -17.890 1.00 0.00 C ATOM 157 C LEU A 11 9.582 -6.039 -17.053 1.00 0.00 C ATOM 158 O LEU A 11 8.884 -5.105 -17.454 1.00 0.00 O ATOM 159 CB LEU A 11 10.434 -7.001 -19.222 1.00 0.00 C ATOM 160 CG LEU A 11 11.736 -7.773 -19.456 1.00 0.00 C ATOM 161 CD1 LEU A 11 11.437 -9.185 -19.931 1.00 0.00 C ATOM 162 CD2 LEU A 11 12.625 -7.046 -20.455 1.00 0.00 C ATOM 0 H LEU A 11 7.757 -7.367 -18.581 1.00 0.00 H new ATOM 0 HA LEU A 11 10.375 -8.008 -17.336 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.743 -7.222 -20.036 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.646 -5.933 -19.266 1.00 0.00 H new ATOM 0 HG LEU A 11 12.273 -7.834 -18.509 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.373 -9.720 -20.093 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.847 -9.705 -19.177 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.877 -9.144 -20.865 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.544 -7.613 -20.605 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.100 -6.948 -21.405 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.869 -6.055 -20.071 1.00 0.00 H new ATOM 174 N PRO A 12 10.202 -5.996 -15.856 1.00 0.00 N ATOM 175 CA PRO A 12 10.090 -4.855 -14.953 1.00 0.00 C ATOM 176 C PRO A 12 10.305 -3.495 -15.608 1.00 0.00 C ATOM 177 O PRO A 12 10.715 -3.391 -16.766 1.00 0.00 O ATOM 178 CB PRO A 12 11.175 -5.082 -13.908 1.00 0.00 C ATOM 179 CG PRO A 12 11.510 -6.528 -13.954 1.00 0.00 C ATOM 180 CD PRO A 12 11.023 -7.076 -15.276 1.00 0.00 C ATOM 0 HA PRO A 12 9.075 -4.813 -14.558 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.053 -4.473 -14.123 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.824 -4.797 -12.916 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.586 -6.674 -13.854 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.038 -7.056 -13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.857 -7.332 -15.929 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.438 -7.985 -15.135 1.00 0.00 H new ATOM 188 N CYS A 13 10.001 -2.452 -14.831 1.00 0.00 N ATOM 189 CA CYS A 13 10.106 -1.087 -15.277 1.00 0.00 C ATOM 190 C CYS A 13 10.487 -0.155 -14.124 1.00 0.00 C ATOM 191 O CYS A 13 10.941 -0.600 -13.069 1.00 0.00 O ATOM 192 CB CYS A 13 8.769 -0.671 -15.903 1.00 0.00 C ATOM 193 SG CYS A 13 8.768 0.903 -16.811 1.00 0.00 S ATOM 0 H CYS A 13 9.674 -2.547 -13.870 1.00 0.00 H new ATOM 0 HA CYS A 13 10.898 -1.010 -16.022 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.448 -1.460 -16.583 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.023 -0.611 -15.111 1.00 0.00 H new ATOM 198 N GLY A 14 10.264 1.134 -14.336 1.00 0.00 N ATOM 199 CA GLY A 14 10.562 2.121 -13.325 1.00 0.00 C ATOM 200 C GLY A 14 11.966 1.983 -12.785 1.00 0.00 C ATOM 201 O GLY A 14 12.900 1.667 -13.521 1.00 0.00 O ATOM 0 H GLY A 14 9.878 1.514 -15.200 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.433 3.118 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.849 2.026 -12.506 1.00 0.00 H new ATOM 205 N PRO A 15 12.133 2.239 -11.492 1.00 0.00 N ATOM 206 CA PRO A 15 13.426 2.170 -10.810 1.00 0.00 C ATOM 207 C PRO A 15 13.794 0.752 -10.355 1.00 0.00 C ATOM 208 O PRO A 15 13.581 0.386 -9.199 1.00 0.00 O ATOM 209 CB PRO A 15 13.168 3.082 -9.616 1.00 0.00 C ATOM 210 CG PRO A 15 11.764 2.778 -9.259 1.00 0.00 C ATOM 211 CD PRO A 15 11.053 2.652 -10.580 1.00 0.00 C ATOM 0 HA PRO A 15 14.265 2.458 -11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.849 2.869 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.300 4.133 -9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.693 1.856 -8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.330 3.570 -8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.252 1.913 -10.540 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.601 3.595 -10.888 1.00 0.00 H new ATOM 219 N GLY A 16 14.356 -0.038 -11.273 1.00 0.00 N ATOM 220 CA GLY A 16 14.753 -1.403 -10.945 1.00 0.00 C ATOM 221 C GLY A 16 13.765 -2.440 -11.450 1.00 0.00 C ATOM 222 O GLY A 16 14.088 -3.256 -12.311 1.00 0.00 O ATOM 0 H GLY A 16 14.543 0.242 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.735 -1.604 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.852 -1.498 -9.864 1.00 0.00 H new ATOM 226 N GLY A 17 12.553 -2.384 -10.921 1.00 0.00 N ATOM 227 CA GLY A 17 11.501 -3.289 -11.315 1.00 0.00 C ATOM 228 C GLY A 17 10.236 -3.018 -10.548 1.00 0.00 C ATOM 229 O GLY A 17 9.498 -3.925 -10.164 1.00 0.00 O ATOM 0 H GLY A 17 12.278 -1.709 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.311 -3.187 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.820 -4.317 -11.145 1.00 0.00 H new ATOM 233 N LYS A 18 10.008 -1.741 -10.351 1.00 0.00 N ATOM 234 CA LYS A 18 8.854 -1.232 -9.651 1.00 0.00 C ATOM 235 C LYS A 18 7.610 -1.446 -10.469 1.00 0.00 C ATOM 236 O LYS A 18 6.493 -1.506 -9.957 1.00 0.00 O ATOM 237 CB LYS A 18 9.036 0.249 -9.479 1.00 0.00 C ATOM 238 CG LYS A 18 9.470 0.675 -8.118 1.00 0.00 C ATOM 239 CD LYS A 18 10.417 -0.331 -7.517 1.00 0.00 C ATOM 240 CE LYS A 18 10.940 0.125 -6.168 1.00 0.00 C ATOM 241 NZ LYS A 18 10.119 -0.412 -5.049 1.00 0.00 N ATOM 0 H LYS A 18 10.637 -1.009 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 18 8.756 -1.745 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.772 0.596 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.095 0.746 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.956 1.649 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.599 0.791 -7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.908 -1.288 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.254 -0.493 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.974 -0.200 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.942 1.214 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.507 -0.079 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.138 -0.081 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.138 -1.452 -5.072 1.00 0.00 H new ATOM 255 N GLY A 19 7.844 -1.587 -11.746 1.00 0.00 N ATOM 256 CA GLY A 19 6.812 -1.827 -12.697 1.00 0.00 C ATOM 257 C GLY A 19 7.315 -2.639 -13.862 1.00 0.00 C ATOM 258 O GLY A 19 8.239 -3.429 -13.728 1.00 0.00 O ATOM 0 H GLY A 19 8.777 -1.536 -12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.987 -2.351 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.419 -0.876 -13.057 1.00 0.00 H new ATOM 262 N ARG A 20 6.678 -2.430 -14.989 1.00 0.00 N ATOM 263 CA ARG A 20 7.005 -3.118 -16.217 1.00 0.00 C ATOM 264 C ARG A 20 6.401 -2.368 -17.399 1.00 0.00 C ATOM 265 O ARG A 20 5.669 -1.401 -17.204 1.00 0.00 O ATOM 266 CB ARG A 20 6.492 -4.552 -16.152 1.00 0.00 C ATOM 267 CG ARG A 20 4.998 -4.650 -16.295 1.00 0.00 C ATOM 268 CD ARG A 20 4.610 -5.555 -17.447 1.00 0.00 C ATOM 269 NE ARG A 20 3.945 -6.777 -17.005 1.00 0.00 N ATOM 270 CZ ARG A 20 2.737 -7.169 -17.404 1.00 0.00 C ATOM 271 NH1 ARG A 20 2.021 -6.424 -18.239 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.243 -8.323 -16.967 1.00 0.00 N ATOM 0 H ARG A 20 5.907 -1.768 -15.081 1.00 0.00 H new ATOM 0 HA ARG A 20 8.087 -3.149 -16.349 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.966 -5.137 -16.940 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.790 -4.996 -15.202 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.567 -5.032 -15.370 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.580 -3.656 -16.455 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.950 -5.012 -18.124 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.503 -5.817 -18.014 1.00 0.00 H new ATOM 0 HE ARG A 20 4.442 -7.373 -16.343 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.396 -5.540 -18.582 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.097 -6.736 -18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.789 -8.903 -16.330 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.318 -8.629 -17.269 1.00 0.00 H new ATOM 286 N CYS A 21 6.669 -2.839 -18.608 1.00 0.00 N ATOM 287 CA CYS A 21 6.106 -2.224 -19.814 1.00 0.00 C ATOM 288 C CYS A 21 5.014 -3.133 -20.351 1.00 0.00 C ATOM 289 O CYS A 21 5.198 -4.346 -20.429 1.00 0.00 O ATOM 290 CB CYS A 21 7.201 -1.946 -20.846 1.00 0.00 C ATOM 291 SG CYS A 21 7.027 -2.791 -22.458 1.00 0.00 S ATOM 0 H CYS A 21 7.271 -3.643 -18.786 1.00 0.00 H new ATOM 0 HA CYS A 21 5.665 -1.256 -19.576 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.238 -0.871 -21.025 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.160 -2.230 -20.412 1.00 0.00 H new ATOM 296 N PHE A 22 3.847 -2.575 -20.647 1.00 0.00 N ATOM 297 CA PHE A 22 2.709 -3.376 -21.080 1.00 0.00 C ATOM 298 C PHE A 22 2.527 -3.448 -22.605 1.00 0.00 C ATOM 299 O PHE A 22 1.637 -4.156 -23.078 1.00 0.00 O ATOM 300 CB PHE A 22 1.448 -2.795 -20.429 1.00 0.00 C ATOM 301 CG PHE A 22 1.375 -3.028 -18.946 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.493 -2.838 -18.138 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.191 -3.434 -18.355 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.416 -3.049 -16.776 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.118 -3.648 -16.991 1.00 0.00 C ATOM 306 CZ PHE A 22 1.231 -3.454 -16.203 1.00 0.00 C ATOM 0 H PHE A 22 3.664 -1.573 -20.595 1.00 0.00 H new ATOM 0 HA PHE A 22 2.895 -4.403 -20.765 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.410 -1.723 -20.622 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.570 -3.235 -20.901 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.427 -2.523 -18.580 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.686 -3.585 -18.967 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.288 -2.896 -16.158 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.812 -3.967 -16.543 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.174 -3.619 -15.137 1.00 0.00 H new ATOM 316 N GLY A 23 3.371 -2.764 -23.382 1.00 0.00 N ATOM 317 CA GLY A 23 3.219 -2.866 -24.832 1.00 0.00 C ATOM 318 C GLY A 23 3.586 -1.641 -25.656 1.00 0.00 C ATOM 319 O GLY A 23 4.618 -1.639 -26.325 1.00 0.00 O ATOM 0 H GLY A 23 4.128 -2.164 -23.053 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.828 -3.701 -25.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.181 -3.119 -25.046 1.00 0.00 H new ATOM 323 N PRO A 24 2.737 -0.596 -25.685 1.00 0.00 N ATOM 324 CA PRO A 24 2.983 0.587 -26.499 1.00 0.00 C ATOM 325 C PRO A 24 3.688 1.689 -25.744 1.00 0.00 C ATOM 326 O PRO A 24 3.052 2.622 -25.254 1.00 0.00 O ATOM 327 CB PRO A 24 1.573 1.021 -26.862 1.00 0.00 C ATOM 328 CG PRO A 24 0.745 0.641 -25.683 1.00 0.00 C ATOM 329 CD PRO A 24 1.451 -0.490 -24.971 1.00 0.00 C ATOM 0 HA PRO A 24 3.635 0.377 -27.347 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.525 2.094 -27.050 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.226 0.522 -27.767 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.617 1.493 -25.015 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.251 0.331 -25.999 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.596 -0.270 -23.913 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.882 -1.418 -25.029 1.00 0.00 H new ATOM 337 N SER A 25 5.006 1.584 -25.639 1.00 0.00 N ATOM 338 CA SER A 25 5.765 2.595 -24.926 1.00 0.00 C ATOM 339 C SER A 25 5.179 2.796 -23.540 1.00 0.00 C ATOM 340 O SER A 25 5.341 3.850 -22.935 1.00 0.00 O ATOM 341 CB SER A 25 5.690 3.916 -25.685 1.00 0.00 C ATOM 342 OG SER A 25 6.852 4.694 -25.472 1.00 0.00 O ATOM 0 H SER A 25 5.561 0.823 -26.031 1.00 0.00 H new ATOM 0 HA SER A 25 6.802 2.268 -24.844 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.570 3.720 -26.751 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.811 4.474 -25.363 1.00 0.00 H new ATOM 0 HG SER A 25 6.779 5.534 -25.971 1.00 0.00 H new ATOM 348 N ILE A 26 4.452 1.796 -23.064 1.00 0.00 N ATOM 349 CA ILE A 26 3.792 1.896 -21.786 1.00 0.00 C ATOM 350 C ILE A 26 4.522 1.162 -20.683 1.00 0.00 C ATOM 351 O ILE A 26 5.341 0.279 -20.932 1.00 0.00 O ATOM 352 CB ILE A 26 2.363 1.354 -21.888 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.435 2.124 -20.982 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.308 -0.109 -21.524 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.009 1.984 -21.415 1.00 0.00 C ATOM 0 H ILE A 26 4.309 0.910 -23.549 1.00 0.00 H new ATOM 0 HA ILE A 26 3.783 2.954 -21.525 1.00 0.00 H new ATOM 0 HB ILE A 26 2.043 1.474 -22.923 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.545 1.766 -19.958 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.715 3.177 -20.983 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.281 -0.466 -21.606 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.945 -0.677 -22.202 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.658 -0.243 -20.501 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.648 2.552 -20.739 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.123 2.366 -22.429 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.296 0.933 -21.389 1.00 0.00 H new ATOM 367 N CYS A 27 4.198 1.548 -19.461 1.00 0.00 N ATOM 368 CA CYS A 27 4.787 0.967 -18.290 1.00 0.00 C ATOM 369 C CYS A 27 3.885 1.165 -17.082 1.00 0.00 C ATOM 370 O CYS A 27 3.179 2.168 -16.975 1.00 0.00 O ATOM 371 CB CYS A 27 6.125 1.609 -18.062 1.00 0.00 C ATOM 372 SG CYS A 27 7.546 0.524 -18.376 1.00 0.00 S ATOM 0 H CYS A 27 3.514 2.278 -19.263 1.00 0.00 H new ATOM 0 HA CYS A 27 4.913 -0.106 -18.434 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.206 2.487 -18.703 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.174 1.961 -17.032 1.00 0.00 H new ATOM 377 N CYS A 28 3.906 0.205 -16.183 1.00 0.00 N ATOM 378 CA CYS A 28 3.092 0.256 -14.998 1.00 0.00 C ATOM 379 C CYS A 28 3.846 -0.323 -13.814 1.00 0.00 C ATOM 380 O CYS A 28 4.347 -1.445 -13.880 1.00 0.00 O ATOM 381 CB CYS A 28 1.807 -0.531 -15.251 1.00 0.00 C ATOM 382 SG CYS A 28 0.306 0.203 -14.542 1.00 0.00 S ATOM 0 H CYS A 28 4.488 -0.629 -16.257 1.00 0.00 H new ATOM 0 HA CYS A 28 2.846 1.292 -14.765 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.669 -0.636 -16.327 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.928 -1.536 -14.846 1.00 0.00 H new ATOM 387 N GLY A 29 3.915 0.428 -12.726 1.00 0.00 N ATOM 388 CA GLY A 29 4.587 -0.047 -11.559 1.00 0.00 C ATOM 389 C GLY A 29 3.647 -0.138 -10.377 1.00 0.00 C ATOM 390 O GLY A 29 2.508 0.318 -10.461 1.00 0.00 O ATOM 0 H GLY A 29 3.512 1.361 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.017 -1.028 -11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.414 0.620 -11.317 1.00 0.00 H new ATOM 394 N ASP A 30 4.103 -0.722 -9.276 1.00 0.00 N ATOM 395 CA ASP A 30 3.265 -0.854 -8.097 1.00 0.00 C ATOM 396 C ASP A 30 3.148 0.502 -7.408 1.00 0.00 C ATOM 397 O ASP A 30 2.187 1.236 -7.628 1.00 0.00 O ATOM 398 CB ASP A 30 3.851 -1.901 -7.151 1.00 0.00 C ATOM 399 CG ASP A 30 2.915 -2.228 -6.008 1.00 0.00 C ATOM 400 OD1 ASP A 30 2.632 -1.322 -5.197 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.464 -3.390 -5.924 1.00 0.00 O ATOM 0 H ASP A 30 5.042 -1.108 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 30 2.269 -1.186 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.070 -2.811 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.797 -1.537 -6.750 1.00 0.00 H new ATOM 406 N GLU A 31 4.163 0.861 -6.635 1.00 0.00 N ATOM 407 CA GLU A 31 4.205 2.158 -5.989 1.00 0.00 C ATOM 408 C GLU A 31 4.537 3.211 -7.047 1.00 0.00 C ATOM 409 O GLU A 31 4.666 4.401 -6.763 1.00 0.00 O ATOM 410 CB GLU A 31 5.289 2.164 -4.915 1.00 0.00 C ATOM 411 CG GLU A 31 6.674 1.863 -5.476 1.00 0.00 C ATOM 412 CD GLU A 31 7.702 2.907 -5.087 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.756 3.274 -3.895 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.456 3.357 -5.977 1.00 0.00 O ATOM 0 H GLU A 31 4.970 0.267 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 31 3.243 2.375 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.304 3.137 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.042 1.426 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.001 0.886 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.616 1.803 -6.563 1.00 0.00 H new ATOM 421 N LEU A 32 4.745 2.708 -8.258 1.00 0.00 N ATOM 422 CA LEU A 32 5.144 3.473 -9.411 1.00 0.00 C ATOM 423 C LEU A 32 3.963 4.010 -10.211 1.00 0.00 C ATOM 424 O LEU A 32 4.091 4.982 -10.955 1.00 0.00 O ATOM 425 CB LEU A 32 5.920 2.491 -10.250 1.00 0.00 C ATOM 426 CG LEU A 32 7.333 2.819 -10.651 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.706 1.897 -11.778 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.532 4.266 -11.063 1.00 0.00 C ATOM 0 H LEU A 32 4.633 1.715 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 32 5.713 4.354 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.944 1.545 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.351 2.320 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 32 7.977 2.679 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.727 2.106 -12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.636 0.863 -11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.026 2.053 -12.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.575 4.426 -11.338 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.893 4.493 -11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.272 4.920 -10.231 1.00 0.00 H new ATOM 440 N GLY A 33 2.826 3.363 -10.066 1.00 0.00 N ATOM 441 CA GLY A 33 1.644 3.768 -10.795 1.00 0.00 C ATOM 442 C GLY A 33 1.717 3.351 -12.247 1.00 0.00 C ATOM 443 O GLY A 33 2.510 2.482 -12.606 1.00 0.00 O ATOM 0 H GLY A 33 2.696 2.558 -9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.761 3.326 -10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.529 4.850 -10.732 1.00 0.00 H new ATOM 447 N CYS A 34 0.910 3.964 -13.099 1.00 0.00 N ATOM 448 CA CYS A 34 0.929 3.621 -14.514 1.00 0.00 C ATOM 449 C CYS A 34 1.334 4.799 -15.380 1.00 0.00 C ATOM 450 O CYS A 34 0.868 5.922 -15.189 1.00 0.00 O ATOM 451 CB CYS A 34 -0.423 3.091 -14.974 1.00 0.00 C ATOM 452 SG CYS A 34 -0.292 1.552 -15.933 1.00 0.00 S ATOM 0 H CYS A 34 0.243 4.691 -12.842 1.00 0.00 H new ATOM 0 HA CYS A 34 1.677 2.837 -14.631 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.055 2.917 -14.103 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.918 3.850 -15.580 1.00 0.00 H new ATOM 457 N PHE A 35 2.170 4.512 -16.369 1.00 0.00 N ATOM 458 CA PHE A 35 2.615 5.523 -17.320 1.00 0.00 C ATOM 459 C PHE A 35 2.478 5.020 -18.748 1.00 0.00 C ATOM 460 O PHE A 35 2.417 3.813 -18.991 1.00 0.00 O ATOM 461 CB PHE A 35 4.074 5.901 -17.096 1.00 0.00 C ATOM 462 CG PHE A 35 4.582 5.739 -15.700 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.795 4.482 -15.162 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.865 6.853 -14.933 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.278 4.342 -13.880 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.352 6.718 -13.651 1.00 0.00 C ATOM 467 CZ PHE A 35 5.557 5.459 -13.125 1.00 0.00 C ATOM 0 H PHE A 35 2.556 3.582 -16.534 1.00 0.00 H new ATOM 0 HA PHE A 35 1.983 6.397 -17.163 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.692 5.296 -17.760 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.210 6.941 -17.393 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.581 3.603 -15.752 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.703 7.839 -15.342 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.438 3.357 -13.467 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.572 7.595 -13.060 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.937 5.350 -12.120 1.00 0.00 H new ATOM 477 N VAL A 36 2.489 5.952 -19.692 1.00 0.00 N ATOM 478 CA VAL A 36 2.432 5.609 -21.100 1.00 0.00 C ATOM 479 C VAL A 36 3.385 6.480 -21.882 1.00 0.00 C ATOM 480 O VAL A 36 3.042 7.579 -22.316 1.00 0.00 O ATOM 481 CB VAL A 36 1.040 5.739 -21.722 1.00 0.00 C ATOM 482 CG1 VAL A 36 1.013 4.986 -23.050 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.031 5.237 -20.766 1.00 0.00 C ATOM 0 H VAL A 36 2.537 6.953 -19.504 1.00 0.00 H new ATOM 0 HA VAL A 36 2.712 4.557 -21.154 1.00 0.00 H new ATOM 0 HB VAL A 36 0.823 6.790 -21.913 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.024 5.075 -23.499 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.757 5.411 -23.724 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.240 3.934 -22.876 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.011 5.340 -21.231 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.152 4.188 -20.533 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.002 5.823 -19.847 1.00 0.00 H new ATOM 493 N GLY A 37 4.582 5.967 -22.060 1.00 0.00 N ATOM 494 CA GLY A 37 5.604 6.692 -22.797 1.00 0.00 C ATOM 495 C GLY A 37 6.382 7.672 -21.937 1.00 0.00 C ATOM 496 O GLY A 37 7.304 8.330 -22.421 1.00 0.00 O ATOM 0 H GLY A 37 4.875 5.056 -21.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.298 5.978 -23.241 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.135 7.233 -23.619 1.00 0.00 H new ATOM 500 N THR A 38 6.011 7.782 -20.664 1.00 0.00 N ATOM 501 CA THR A 38 6.695 8.690 -19.751 1.00 0.00 C ATOM 502 C THR A 38 8.135 8.239 -19.540 1.00 0.00 C ATOM 503 O THR A 38 8.540 7.183 -20.025 1.00 0.00 O ATOM 504 CB THR A 38 5.978 8.754 -18.399 1.00 0.00 C ATOM 505 OG1 THR A 38 6.230 7.583 -17.652 1.00 0.00 O ATOM 506 CG2 THR A 38 4.475 8.916 -18.507 1.00 0.00 C ATOM 0 H THR A 38 5.244 7.256 -20.244 1.00 0.00 H new ATOM 0 HA THR A 38 6.686 9.684 -20.199 1.00 0.00 H new ATOM 0 HB THR A 38 6.378 9.640 -17.907 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.794 7.653 -16.777 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.040 8.953 -17.508 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.246 9.840 -19.037 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.056 8.071 -19.054 1.00 0.00 H new ATOM 514 N ALA A 39 8.896 9.030 -18.793 1.00 0.00 N ATOM 515 CA ALA A 39 10.286 8.697 -18.503 1.00 0.00 C ATOM 516 C ALA A 39 10.375 7.359 -17.781 1.00 0.00 C ATOM 517 O ALA A 39 11.176 6.500 -18.133 1.00 0.00 O ATOM 518 CB ALA A 39 10.930 9.793 -17.673 1.00 0.00 C ATOM 0 H ALA A 39 8.575 9.905 -18.378 1.00 0.00 H new ATOM 0 HA ALA A 39 10.826 8.615 -19.446 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.967 9.530 -17.465 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.898 10.733 -18.224 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.388 9.904 -16.734 1.00 0.00 H new ATOM 524 N GLU A 40 9.533 7.185 -16.776 1.00 0.00 N ATOM 525 CA GLU A 40 9.505 5.947 -16.018 1.00 0.00 C ATOM 526 C GLU A 40 8.794 4.837 -16.800 1.00 0.00 C ATOM 527 O GLU A 40 8.513 3.768 -16.252 1.00 0.00 O ATOM 528 CB GLU A 40 8.814 6.171 -14.674 1.00 0.00 C ATOM 529 CG GLU A 40 9.774 6.239 -13.495 1.00 0.00 C ATOM 530 CD GLU A 40 10.266 7.647 -13.222 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.435 8.579 -13.234 1.00 0.00 O ATOM 532 OE2 GLU A 40 11.482 7.817 -12.997 1.00 0.00 O ATOM 0 H GLU A 40 8.860 7.886 -16.467 1.00 0.00 H new ATOM 0 HA GLU A 40 10.534 5.632 -15.843 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.243 7.098 -14.720 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.100 5.365 -14.504 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.278 5.853 -12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.629 5.591 -13.690 1.00 0.00 H new ATOM 539 N ALA A 41 8.472 5.101 -18.073 1.00 0.00 N ATOM 540 CA ALA A 41 7.766 4.125 -18.895 1.00 0.00 C ATOM 541 C ALA A 41 8.506 3.760 -20.173 1.00 0.00 C ATOM 542 O ALA A 41 8.065 2.896 -20.931 1.00 0.00 O ATOM 543 CB ALA A 41 6.410 4.661 -19.265 1.00 0.00 C ATOM 0 H ALA A 41 8.690 5.977 -18.548 1.00 0.00 H new ATOM 0 HA ALA A 41 7.686 3.220 -18.293 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.885 3.930 -19.879 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.835 4.854 -18.359 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.526 5.589 -19.825 1.00 0.00 H new ATOM 549 N LEU A 42 9.622 4.409 -20.404 1.00 0.00 N ATOM 550 CA LEU A 42 10.430 4.151 -21.577 1.00 0.00 C ATOM 551 C LEU A 42 10.965 2.718 -21.600 1.00 0.00 C ATOM 552 O LEU A 42 11.461 2.246 -22.624 1.00 0.00 O ATOM 553 CB LEU A 42 11.591 5.146 -21.636 1.00 0.00 C ATOM 554 CG LEU A 42 12.392 5.354 -20.332 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.067 4.306 -19.272 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.886 5.358 -20.620 1.00 0.00 C ATOM 0 H LEU A 42 9.997 5.130 -19.787 1.00 0.00 H new ATOM 0 HA LEU A 42 9.793 4.276 -22.453 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.283 4.817 -22.411 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.196 6.112 -21.951 1.00 0.00 H new ATOM 0 HG LEU A 42 12.096 6.323 -19.931 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.657 4.499 -18.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.006 4.355 -19.025 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.305 3.314 -19.656 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.435 5.506 -19.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.174 4.405 -21.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.121 6.166 -21.312 1.00 0.00 H new ATOM 568 N ARG A 43 10.867 2.035 -20.466 1.00 0.00 N ATOM 569 CA ARG A 43 11.345 0.667 -20.334 1.00 0.00 C ATOM 570 C ARG A 43 10.844 -0.252 -21.437 1.00 0.00 C ATOM 571 O ARG A 43 11.406 -1.324 -21.644 1.00 0.00 O ATOM 572 CB ARG A 43 10.926 0.112 -18.997 1.00 0.00 C ATOM 573 CG ARG A 43 12.090 -0.345 -18.142 1.00 0.00 C ATOM 574 CD ARG A 43 13.070 0.790 -17.896 1.00 0.00 C ATOM 575 NE ARG A 43 13.756 0.648 -16.616 1.00 0.00 N ATOM 576 CZ ARG A 43 14.835 -0.109 -16.435 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.350 -0.796 -17.447 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.399 -0.179 -15.237 1.00 0.00 N ATOM 0 H ARG A 43 10.454 2.414 -19.614 1.00 0.00 H new ATOM 0 HA ARG A 43 12.431 0.705 -20.416 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.365 0.874 -18.456 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.250 -0.728 -19.157 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.719 -0.721 -17.189 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.603 -1.172 -18.633 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.805 0.816 -18.701 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.538 1.741 -17.919 1.00 0.00 H new ATOM 0 HE ARG A 43 13.387 1.159 -15.814 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.918 -0.745 -18.370 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.177 -1.375 -17.302 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.006 0.347 -14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.226 -0.759 -15.096 1.00 0.00 H new ATOM 592 N CYS A 44 9.802 0.159 -22.149 1.00 0.00 N ATOM 593 CA CYS A 44 9.265 -0.653 -23.222 1.00 0.00 C ATOM 594 C CYS A 44 10.281 -0.764 -24.352 1.00 0.00 C ATOM 595 O CYS A 44 10.065 -1.486 -25.323 1.00 0.00 O ATOM 596 CB CYS A 44 7.930 -0.094 -23.713 1.00 0.00 C ATOM 597 SG CYS A 44 6.556 -1.307 -23.777 1.00 0.00 S ATOM 0 H CYS A 44 9.318 1.045 -22.001 1.00 0.00 H new ATOM 0 HA CYS A 44 9.072 -1.657 -22.843 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.637 0.730 -23.062 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.073 0.323 -24.710 1.00 0.00 H new ATOM 602 N GLN A 45 11.435 -0.104 -24.182 1.00 0.00 N ATOM 603 CA GLN A 45 12.513 -0.205 -25.136 1.00 0.00 C ATOM 604 C GLN A 45 13.036 -1.642 -25.102 1.00 0.00 C ATOM 605 O GLN A 45 13.764 -2.093 -25.989 1.00 0.00 O ATOM 606 CB GLN A 45 13.623 0.772 -24.772 1.00 0.00 C ATOM 607 CG GLN A 45 13.602 2.057 -25.584 1.00 0.00 C ATOM 608 CD GLN A 45 13.117 3.247 -24.783 1.00 0.00 C ATOM 609 OE1 GLN A 45 12.081 3.838 -25.088 1.00 0.00 O ATOM 610 NE2 GLN A 45 13.867 3.606 -23.750 1.00 0.00 N ATOM 0 H GLN A 45 11.632 0.503 -23.386 1.00 0.00 H new ATOM 0 HA GLN A 45 12.161 0.043 -26.138 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.542 1.021 -23.714 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.586 0.281 -24.911 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.605 2.261 -25.959 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.958 1.922 -26.453 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.718 3.088 -23.533 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.593 4.401 -23.172 1.00 0.00 H new ATOM 619 N GLU A 46 12.562 -2.367 -24.088 1.00 0.00 N ATOM 620 CA GLU A 46 12.867 -3.774 -23.922 1.00 0.00 C ATOM 621 C GLU A 46 11.946 -4.561 -24.839 1.00 0.00 C ATOM 622 O GLU A 46 12.198 -5.724 -25.161 1.00 0.00 O ATOM 623 CB GLU A 46 12.659 -4.218 -22.472 1.00 0.00 C ATOM 624 CG GLU A 46 11.229 -4.038 -21.976 1.00 0.00 C ATOM 625 CD GLU A 46 10.279 -5.109 -22.485 1.00 0.00 C ATOM 626 OE1 GLU A 46 10.362 -6.260 -22.012 1.00 0.00 O ATOM 627 OE2 GLU A 46 9.446 -4.791 -23.358 1.00 0.00 O ATOM 0 H GLU A 46 11.955 -1.987 -23.361 1.00 0.00 H new ATOM 0 HA GLU A 46 13.912 -3.953 -24.174 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.937 -5.268 -22.379 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.332 -3.652 -21.828 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.226 -4.047 -20.886 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.864 -3.060 -22.288 1.00 0.00 H new ATOM 634 N GLU A 47 10.870 -3.895 -25.270 1.00 0.00 N ATOM 635 CA GLU A 47 9.905 -4.506 -26.169 1.00 0.00 C ATOM 636 C GLU A 47 10.522 -4.723 -27.550 1.00 0.00 C ATOM 637 O GLU A 47 9.869 -5.245 -28.453 1.00 0.00 O ATOM 638 CB GLU A 47 8.653 -3.631 -26.276 1.00 0.00 C ATOM 639 CG GLU A 47 7.522 -4.265 -27.071 1.00 0.00 C ATOM 640 CD GLU A 47 6.804 -3.264 -27.956 1.00 0.00 C ATOM 641 OE1 GLU A 47 7.490 -2.490 -28.656 1.00 0.00 O ATOM 642 OE2 GLU A 47 5.555 -3.254 -27.949 1.00 0.00 O ATOM 0 H GLU A 47 10.652 -2.934 -25.007 1.00 0.00 H new ATOM 0 HA GLU A 47 9.619 -5.477 -25.763 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.295 -3.403 -25.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.923 -2.683 -26.741 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.922 -5.070 -27.688 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.807 -4.716 -26.383 1.00 0.00 H new ATOM 649 N ASN A 48 11.797 -4.346 -27.711 1.00 0.00 N ATOM 650 CA ASN A 48 12.483 -4.536 -28.975 1.00 0.00 C ATOM 651 C ASN A 48 12.601 -6.029 -29.299 1.00 0.00 C ATOM 652 O ASN A 48 13.081 -6.409 -30.366 1.00 0.00 O ATOM 653 CB ASN A 48 13.870 -3.890 -28.924 1.00 0.00 C ATOM 654 CG ASN A 48 14.010 -2.749 -29.911 1.00 0.00 C ATOM 655 OD1 ASN A 48 13.982 -2.955 -31.123 1.00 0.00 O ATOM 656 ND2 ASN A 48 14.161 -1.535 -29.394 1.00 0.00 N ATOM 0 H ASN A 48 12.363 -3.912 -26.982 1.00 0.00 H new ATOM 0 HA ASN A 48 11.903 -4.057 -29.763 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.059 -3.521 -27.916 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.628 -4.645 -29.135 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.259 -0.727 -30.009 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.179 -1.410 -28.382 1.00 0.00 H new ATOM 663 N TYR A 49 12.150 -6.865 -28.361 1.00 0.00 N ATOM 664 CA TYR A 49 12.168 -8.313 -28.515 1.00 0.00 C ATOM 665 C TYR A 49 11.178 -8.922 -27.524 1.00 0.00 C ATOM 666 O TYR A 49 11.371 -8.830 -26.313 1.00 0.00 O ATOM 667 CB TYR A 49 13.577 -8.864 -28.275 1.00 0.00 C ATOM 668 CG TYR A 49 14.180 -8.441 -26.953 1.00 0.00 C ATOM 669 CD1 TYR A 49 14.734 -7.178 -26.794 1.00 0.00 C ATOM 670 CD2 TYR A 49 14.192 -9.304 -25.867 1.00 0.00 C ATOM 671 CE1 TYR A 49 15.284 -6.787 -25.589 1.00 0.00 C ATOM 672 CE2 TYR A 49 14.738 -8.921 -24.657 1.00 0.00 C ATOM 673 CZ TYR A 49 15.283 -7.662 -24.523 1.00 0.00 C ATOM 674 OH TYR A 49 15.829 -7.276 -23.320 1.00 0.00 O ATOM 0 H TYR A 49 11.762 -6.551 -27.472 1.00 0.00 H new ATOM 0 HA TYR A 49 11.878 -8.576 -29.532 1.00 0.00 H new ATOM 0 HB2 TYR A 49 13.544 -9.953 -28.317 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.229 -8.534 -29.084 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.735 -6.490 -27.626 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.767 -10.292 -25.969 1.00 0.00 H new ATOM 0 HE1 TYR A 49 15.713 -5.801 -25.482 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.738 -9.604 -23.821 1.00 0.00 H new ATOM 0 HH TYR A 49 15.747 -8.008 -22.674 1.00 0.00 H new ATOM 684 N LEU A 50 10.102 -9.507 -28.041 1.00 0.00 N ATOM 685 CA LEU A 50 9.068 -10.090 -27.192 1.00 0.00 C ATOM 686 C LEU A 50 9.238 -11.603 -27.054 1.00 0.00 C ATOM 687 O LEU A 50 8.929 -12.355 -27.977 1.00 0.00 O ATOM 688 CB LEU A 50 7.683 -9.768 -27.760 1.00 0.00 C ATOM 689 CG LEU A 50 6.790 -8.921 -26.851 1.00 0.00 C ATOM 690 CD1 LEU A 50 6.500 -9.657 -25.553 1.00 0.00 C ATOM 691 CD2 LEU A 50 7.441 -7.575 -26.569 1.00 0.00 C ATOM 0 H LEU A 50 9.923 -9.590 -29.042 1.00 0.00 H new ATOM 0 HA LEU A 50 9.166 -9.652 -26.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.809 -9.246 -28.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.170 -10.705 -27.977 1.00 0.00 H new ATOM 0 HG LEU A 50 5.845 -8.745 -27.364 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.864 -9.040 -24.919 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.992 -10.596 -25.773 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.436 -9.864 -25.035 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.792 -6.986 -25.921 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.401 -7.731 -26.076 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.597 -7.043 -27.507 1.00 0.00 H new ATOM 703 N PRO A 51 9.740 -12.066 -25.893 1.00 0.00 N ATOM 704 CA PRO A 51 9.958 -13.495 -25.626 1.00 0.00 C ATOM 705 C PRO A 51 8.711 -14.337 -25.879 1.00 0.00 C ATOM 706 O PRO A 51 7.736 -13.862 -26.461 1.00 0.00 O ATOM 707 CB PRO A 51 10.322 -13.515 -24.144 1.00 0.00 C ATOM 708 CG PRO A 51 10.977 -12.203 -23.941 1.00 0.00 C ATOM 709 CD PRO A 51 10.152 -11.240 -24.741 1.00 0.00 C ATOM 0 HA PRO A 51 10.719 -13.921 -26.279 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.440 -13.627 -23.514 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.992 -14.341 -23.905 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.995 -11.928 -22.886 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.011 -12.219 -24.284 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.295 -10.871 -24.177 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.729 -10.368 -25.050 1.00 0.00 H new ATOM 717 N SER A 52 8.746 -15.587 -25.432 1.00 0.00 N ATOM 718 CA SER A 52 7.615 -16.490 -25.610 1.00 0.00 C ATOM 719 C SER A 52 6.674 -16.452 -24.403 1.00 0.00 C ATOM 720 O SER A 52 5.460 -16.325 -24.563 1.00 0.00 O ATOM 721 CB SER A 52 8.102 -17.921 -25.858 1.00 0.00 C ATOM 722 OG SER A 52 9.367 -18.148 -25.263 1.00 0.00 O ATOM 0 H SER A 52 9.543 -15.997 -24.945 1.00 0.00 H new ATOM 0 HA SER A 52 7.057 -16.152 -26.483 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.377 -18.628 -25.455 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.165 -18.105 -26.931 1.00 0.00 H new ATOM 0 HG SER A 52 9.331 -18.961 -24.717 1.00 0.00 H new ATOM 728 N PRO A 53 7.215 -16.570 -23.174 1.00 0.00 N ATOM 729 CA PRO A 53 6.419 -16.557 -21.956 1.00 0.00 C ATOM 730 C PRO A 53 6.292 -15.163 -21.350 1.00 0.00 C ATOM 731 O PRO A 53 7.088 -14.775 -20.503 1.00 0.00 O ATOM 732 CB PRO A 53 7.230 -17.464 -21.039 1.00 0.00 C ATOM 733 CG PRO A 53 8.651 -17.204 -21.420 1.00 0.00 C ATOM 734 CD PRO A 53 8.645 -16.745 -22.862 1.00 0.00 C ATOM 0 HA PRO A 53 5.390 -16.877 -22.123 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.051 -17.230 -19.990 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.966 -18.512 -21.182 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.090 -16.443 -20.775 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.252 -18.106 -21.305 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.198 -15.814 -22.987 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.109 -17.482 -23.517 1.00 0.00 H new ATOM 742 N CYS A 54 5.284 -14.416 -21.788 1.00 0.00 N ATOM 743 CA CYS A 54 5.044 -13.075 -21.280 1.00 0.00 C ATOM 744 C CYS A 54 3.680 -13.018 -20.596 1.00 0.00 C ATOM 745 O CYS A 54 2.854 -13.914 -20.776 1.00 0.00 O ATOM 746 CB CYS A 54 5.121 -12.042 -22.410 1.00 0.00 C ATOM 747 SG CYS A 54 5.025 -10.304 -21.854 1.00 0.00 S ATOM 0 H CYS A 54 4.618 -14.721 -22.498 1.00 0.00 H new ATOM 0 HA CYS A 54 5.818 -12.834 -20.551 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.055 -12.185 -22.954 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.310 -12.231 -23.114 1.00 0.00 H new ATOM 752 N GLN A 55 3.446 -11.981 -19.797 1.00 0.00 N ATOM 753 CA GLN A 55 2.178 -11.853 -19.089 1.00 0.00 C ATOM 754 C GLN A 55 1.615 -10.437 -19.190 1.00 0.00 C ATOM 755 O GLN A 55 2.345 -9.487 -19.472 1.00 0.00 O ATOM 756 CB GLN A 55 2.355 -12.233 -17.619 1.00 0.00 C ATOM 757 CG GLN A 55 1.098 -12.815 -16.993 1.00 0.00 C ATOM 758 CD GLN A 55 0.403 -11.844 -16.061 1.00 0.00 C ATOM 759 OE1 GLN A 55 -0.783 -11.557 -16.219 1.00 0.00 O ATOM 760 NE2 GLN A 55 1.140 -11.333 -15.080 1.00 0.00 N ATOM 0 H GLN A 55 4.110 -11.226 -19.625 1.00 0.00 H new ATOM 0 HA GLN A 55 1.468 -12.533 -19.561 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.164 -12.958 -17.533 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.657 -11.350 -17.056 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.408 -13.111 -17.783 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.357 -13.719 -16.441 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.120 -11.599 -14.987 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.725 -10.675 -14.420 1.00 0.00 H new ATOM 769 N SER A 56 0.309 -10.312 -18.942 1.00 0.00 N ATOM 770 CA SER A 56 -0.378 -9.022 -18.998 1.00 0.00 C ATOM 771 C SER A 56 -1.890 -9.200 -18.900 1.00 0.00 C ATOM 772 O SER A 56 -2.402 -10.318 -18.973 1.00 0.00 O ATOM 773 CB SER A 56 -0.031 -8.278 -20.290 1.00 0.00 C ATOM 774 OG SER A 56 -0.732 -7.050 -20.372 1.00 0.00 O ATOM 0 H SER A 56 -0.297 -11.096 -18.699 1.00 0.00 H new ATOM 0 HA SER A 56 -0.039 -8.433 -18.146 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.042 -8.092 -20.330 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.278 -8.900 -21.150 1.00 0.00 H new ATOM 0 HG SER A 56 -0.493 -6.592 -21.205 1.00 0.00 H new ATOM 780 N GLY A 57 -2.601 -8.086 -18.737 1.00 0.00 N ATOM 781 CA GLY A 57 -4.051 -8.129 -18.633 1.00 0.00 C ATOM 782 C GLY A 57 -4.522 -8.564 -17.267 1.00 0.00 C ATOM 783 O GLY A 57 -4.533 -9.753 -16.954 1.00 0.00 O ATOM 0 H GLY A 57 -2.197 -7.151 -18.675 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.457 -7.142 -18.856 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.445 -8.813 -19.384 1.00 0.00 H new ATOM 787 N GLN A 58 -4.901 -7.595 -16.441 1.00 0.00 N ATOM 788 CA GLN A 58 -5.355 -7.881 -15.100 1.00 0.00 C ATOM 789 C GLN A 58 -6.754 -7.324 -14.834 1.00 0.00 C ATOM 790 O GLN A 58 -7.265 -6.528 -15.610 1.00 0.00 O ATOM 791 CB GLN A 58 -4.364 -7.295 -14.120 1.00 0.00 C ATOM 792 CG GLN A 58 -3.376 -8.323 -13.620 1.00 0.00 C ATOM 793 CD GLN A 58 -3.652 -8.764 -12.194 1.00 0.00 C ATOM 794 OE1 GLN A 58 -4.404 -8.116 -11.466 1.00 0.00 O ATOM 795 NE2 GLN A 58 -3.045 -9.875 -11.787 1.00 0.00 N ATOM 0 H GLN A 58 -4.900 -6.605 -16.685 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.417 -8.962 -14.979 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.824 -6.478 -14.598 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.902 -6.869 -13.273 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.402 -9.193 -14.276 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.369 -7.910 -13.679 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.429 -10.382 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.195 -10.220 -10.839 1.00 0.00 H new ATOM 804 N LYS A 59 -7.399 -7.861 -13.795 1.00 0.00 N ATOM 805 CA LYS A 59 -8.805 -7.548 -13.462 1.00 0.00 C ATOM 806 C LYS A 59 -9.312 -6.285 -14.176 1.00 0.00 C ATOM 807 O LYS A 59 -9.205 -5.159 -13.687 1.00 0.00 O ATOM 808 CB LYS A 59 -8.937 -7.345 -11.949 1.00 0.00 C ATOM 809 CG LYS A 59 -7.988 -6.289 -11.403 1.00 0.00 C ATOM 810 CD LYS A 59 -7.112 -6.836 -10.285 1.00 0.00 C ATOM 811 CE LYS A 59 -7.277 -6.031 -9.005 1.00 0.00 C ATOM 812 NZ LYS A 59 -6.159 -5.066 -8.799 1.00 0.00 N ATOM 0 H LYS A 59 -6.966 -8.527 -13.155 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.411 -8.389 -13.799 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.962 -7.059 -11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.747 -8.292 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.357 -5.917 -12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.563 -5.441 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.369 -7.878 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.068 -6.817 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.222 -5.488 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.330 -6.711 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.074 -4.844 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.270 -5.487 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.352 -4.193 -9.330 1.00 0.00 H new ATOM 826 N PRO A 60 -9.811 -6.514 -15.414 1.00 0.00 N ATOM 827 CA PRO A 60 -10.304 -5.480 -16.327 1.00 0.00 C ATOM 828 C PRO A 60 -11.403 -4.552 -15.804 1.00 0.00 C ATOM 829 O PRO A 60 -12.056 -4.808 -14.793 1.00 0.00 O ATOM 830 CB PRO A 60 -10.888 -6.261 -17.506 1.00 0.00 C ATOM 831 CG PRO A 60 -10.296 -7.618 -17.448 1.00 0.00 C ATOM 832 CD PRO A 60 -9.825 -7.846 -16.042 1.00 0.00 C ATOM 0 HA PRO A 60 -9.469 -4.813 -16.540 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.975 -6.309 -17.439 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.648 -5.773 -18.451 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.032 -8.370 -17.732 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.466 -7.704 -18.149 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.491 -8.525 -15.509 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.833 -8.297 -16.028 1.00 0.00 H new ATOM 840 N CYS A 61 -11.586 -3.473 -16.572 1.00 0.00 N ATOM 841 CA CYS A 61 -12.594 -2.463 -16.284 1.00 0.00 C ATOM 842 C CYS A 61 -12.955 -1.626 -17.500 1.00 0.00 C ATOM 843 O CYS A 61 -12.222 -1.561 -18.492 1.00 0.00 O ATOM 844 CB CYS A 61 -12.165 -1.552 -15.150 1.00 0.00 C ATOM 845 SG CYS A 61 -10.401 -1.126 -15.178 1.00 0.00 S ATOM 0 H CYS A 61 -11.036 -3.281 -17.409 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.484 -3.015 -15.982 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.751 -0.634 -15.192 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.397 -2.035 -14.201 1.00 0.00 H new ATOM 850 N GLY A 62 -14.120 -1.007 -17.413 1.00 0.00 N ATOM 851 CA GLY A 62 -14.673 -0.200 -18.473 1.00 0.00 C ATOM 852 C GLY A 62 -14.264 1.260 -18.455 1.00 0.00 C ATOM 853 O GLY A 62 -14.950 2.108 -19.025 1.00 0.00 O ATOM 0 H GLY A 62 -14.715 -1.056 -16.586 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.376 -0.632 -19.429 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.760 -0.257 -18.421 1.00 0.00 H new ATOM 857 N SER A 63 -13.109 1.546 -17.874 1.00 0.00 N ATOM 858 CA SER A 63 -12.578 2.883 -17.878 1.00 0.00 C ATOM 859 C SER A 63 -11.400 2.950 -18.857 1.00 0.00 C ATOM 860 O SER A 63 -10.407 3.640 -18.623 1.00 0.00 O ATOM 861 CB SER A 63 -12.158 3.305 -16.475 1.00 0.00 C ATOM 862 OG SER A 63 -12.057 4.714 -16.367 1.00 0.00 O ATOM 0 H SER A 63 -12.526 0.861 -17.394 1.00 0.00 H new ATOM 0 HA SER A 63 -13.350 3.580 -18.204 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.882 2.934 -15.750 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.199 2.850 -16.229 1.00 0.00 H new ATOM 0 HG SER A 63 -11.646 4.948 -15.509 1.00 0.00 H new ATOM 868 N GLY A 64 -11.545 2.218 -19.967 1.00 0.00 N ATOM 869 CA GLY A 64 -10.531 2.179 -21.008 1.00 0.00 C ATOM 870 C GLY A 64 -9.569 0.990 -20.925 1.00 0.00 C ATOM 871 O GLY A 64 -8.612 0.913 -21.692 1.00 0.00 O ATOM 0 H GLY A 64 -12.364 1.643 -20.161 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.027 2.159 -21.978 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.951 3.101 -20.965 1.00 0.00 H new ATOM 875 N GLY A 65 -9.806 0.086 -19.979 1.00 0.00 N ATOM 876 CA GLY A 65 -8.930 -1.051 -19.809 1.00 0.00 C ATOM 877 C GLY A 65 -8.979 -1.720 -18.463 1.00 0.00 C ATOM 878 O GLY A 65 -10.043 -1.929 -17.894 1.00 0.00 O ATOM 0 H GLY A 65 -10.591 0.124 -19.328 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.175 -1.791 -20.571 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.906 -0.728 -19.996 1.00 0.00 H new ATOM 882 N ARG A 66 -7.822 -2.187 -18.033 1.00 0.00 N ATOM 883 CA ARG A 66 -7.736 -2.964 -16.824 1.00 0.00 C ATOM 884 C ARG A 66 -7.407 -2.111 -15.630 1.00 0.00 C ATOM 885 O ARG A 66 -7.246 -0.904 -15.756 1.00 0.00 O ATOM 886 CB ARG A 66 -6.663 -4.046 -16.967 1.00 0.00 C ATOM 887 CG ARG A 66 -6.734 -4.818 -18.273 1.00 0.00 C ATOM 888 CD ARG A 66 -7.919 -5.762 -18.291 1.00 0.00 C ATOM 889 NE ARG A 66 -7.639 -6.994 -19.027 1.00 0.00 N ATOM 890 CZ ARG A 66 -7.413 -7.048 -20.336 1.00 0.00 C ATOM 891 NH1 ARG A 66 -7.387 -5.938 -21.059 1.00 0.00 N ATOM 892 NH2 ARG A 66 -7.207 -8.221 -20.921 1.00 0.00 N ATOM 0 H ARG A 66 -6.931 -2.038 -18.508 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.714 -3.419 -16.666 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.680 -3.582 -16.884 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.755 -4.747 -16.137 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.810 -4.120 -19.107 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.813 -5.384 -18.414 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.199 -6.009 -17.267 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.774 -5.259 -18.742 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.616 -7.868 -18.502 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.541 -5.034 -20.612 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.213 -5.987 -22.063 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.222 -9.077 -20.367 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.033 -8.267 -21.925 1.00 0.00 H new ATOM 906 N CYS A 67 -7.223 -2.751 -14.485 1.00 0.00 N ATOM 907 CA CYS A 67 -6.836 -2.053 -13.281 1.00 0.00 C ATOM 908 C CYS A 67 -5.350 -1.730 -13.315 1.00 0.00 C ATOM 909 O CYS A 67 -4.610 -2.048 -12.385 1.00 0.00 O ATOM 910 CB CYS A 67 -7.170 -2.889 -12.053 1.00 0.00 C ATOM 911 SG CYS A 67 -6.874 -2.036 -10.481 1.00 0.00 S ATOM 0 H CYS A 67 -7.338 -3.758 -14.370 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.394 -1.118 -13.225 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.217 -3.187 -12.102 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.577 -3.804 -12.076 1.00 0.00 H new ATOM 916 N ALA A 68 -4.929 -1.141 -14.421 1.00 0.00 N ATOM 917 CA ALA A 68 -3.533 -0.796 -14.660 1.00 0.00 C ATOM 918 C ALA A 68 -2.692 -0.623 -13.393 1.00 0.00 C ATOM 919 O ALA A 68 -1.742 -1.379 -13.194 1.00 0.00 O ATOM 920 CB ALA A 68 -3.449 0.428 -15.534 1.00 0.00 C ATOM 0 H ALA A 68 -5.551 -0.885 -15.188 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.095 -1.653 -15.172 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.403 0.680 -15.708 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.938 0.228 -16.488 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.946 1.263 -15.040 1.00 0.00 H new ATOM 926 N ALA A 69 -2.976 0.375 -12.548 1.00 0.00 N ATOM 927 CA ALA A 69 -2.167 0.602 -11.348 1.00 0.00 C ATOM 928 C ALA A 69 -2.917 1.428 -10.305 1.00 0.00 C ATOM 929 O ALA A 69 -3.710 2.304 -10.649 1.00 0.00 O ATOM 930 CB ALA A 69 -0.905 1.358 -11.693 1.00 0.00 C ATOM 0 H ALA A 69 -3.749 1.029 -12.671 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.936 -0.383 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.317 1.517 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.320 0.781 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.166 2.322 -12.130 1.00 0.00 H new ATOM 936 N ALA A 70 -2.675 1.101 -9.032 1.00 0.00 N ATOM 937 CA ALA A 70 -3.344 1.770 -7.902 1.00 0.00 C ATOM 938 C ALA A 70 -4.570 2.476 -8.383 1.00 0.00 C ATOM 939 O ALA A 70 -4.618 3.702 -8.422 1.00 0.00 O ATOM 940 CB ALA A 70 -2.478 2.799 -7.212 1.00 0.00 C ATOM 0 H ALA A 70 -2.017 0.373 -8.753 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.577 0.980 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.034 3.251 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.582 2.317 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.193 3.572 -7.926 1.00 0.00 H new ATOM 946 N GLY A 71 -5.513 1.704 -8.841 1.00 0.00 N ATOM 947 CA GLY A 71 -6.677 2.284 -9.391 1.00 0.00 C ATOM 948 C GLY A 71 -6.321 3.160 -10.563 1.00 0.00 C ATOM 949 O GLY A 71 -6.237 4.373 -10.461 1.00 0.00 O ATOM 0 H GLY A 71 -5.489 0.684 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.366 1.501 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.192 2.872 -8.632 1.00 0.00 H new ATOM 953 N ILE A 72 -6.166 2.507 -11.675 1.00 0.00 N ATOM 954 CA ILE A 72 -5.871 3.127 -12.933 1.00 0.00 C ATOM 955 C ILE A 72 -6.357 2.176 -13.980 1.00 0.00 C ATOM 956 O ILE A 72 -5.743 1.144 -14.220 1.00 0.00 O ATOM 957 CB ILE A 72 -4.361 3.427 -13.138 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.998 4.735 -12.486 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.971 3.463 -14.610 1.00 0.00 C ATOM 960 CD1 ILE A 72 -4.003 5.903 -13.447 1.00 0.00 C ATOM 0 H ILE A 72 -6.244 1.492 -11.734 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.361 4.099 -12.984 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.808 2.613 -12.670 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.699 4.936 -11.676 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.009 4.647 -12.037 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.906 3.676 -14.699 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.187 2.498 -15.067 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.541 4.241 -15.118 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.733 6.814 -12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.281 5.722 -14.244 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.998 6.016 -13.877 1.00 0.00 H new ATOM 972 N CYS A 73 -7.477 2.492 -14.578 1.00 0.00 N ATOM 973 CA CYS A 73 -8.017 1.626 -15.572 1.00 0.00 C ATOM 974 C CYS A 73 -7.361 2.035 -16.860 1.00 0.00 C ATOM 975 O CYS A 73 -7.649 3.097 -17.420 1.00 0.00 O ATOM 976 CB CYS A 73 -9.532 1.701 -15.599 1.00 0.00 C ATOM 977 SG CYS A 73 -10.314 0.375 -16.543 1.00 0.00 S ATOM 0 H CYS A 73 -8.021 3.334 -14.391 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.810 0.575 -15.371 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.906 1.674 -14.575 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.831 2.660 -16.022 1.00 0.00 H new ATOM 982 N CYS A 74 -6.368 1.256 -17.251 1.00 0.00 N ATOM 983 CA CYS A 74 -5.570 1.628 -18.387 1.00 0.00 C ATOM 984 C CYS A 74 -5.211 0.496 -19.313 1.00 0.00 C ATOM 985 O CYS A 74 -4.991 -0.647 -18.909 1.00 0.00 O ATOM 986 CB CYS A 74 -4.261 2.224 -17.880 1.00 0.00 C ATOM 987 SG CYS A 74 -2.924 2.331 -19.128 1.00 0.00 S ATOM 0 H CYS A 74 -6.104 0.379 -16.803 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.180 2.326 -18.959 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.460 3.224 -17.496 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.907 1.625 -17.041 1.00 0.00 H new ATOM 992 N SER A 75 -5.103 0.886 -20.562 1.00 0.00 N ATOM 993 CA SER A 75 -4.693 -0.011 -21.606 1.00 0.00 C ATOM 994 C SER A 75 -3.551 0.658 -22.384 1.00 0.00 C ATOM 995 O SER A 75 -2.712 1.313 -21.767 1.00 0.00 O ATOM 996 CB SER A 75 -5.902 -0.300 -22.495 1.00 0.00 C ATOM 997 OG SER A 75 -6.958 -0.873 -21.754 1.00 0.00 O ATOM 0 H SER A 75 -5.298 1.836 -20.878 1.00 0.00 H new ATOM 0 HA SER A 75 -4.330 -0.960 -21.212 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.242 0.624 -22.962 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.611 -0.975 -23.300 1.00 0.00 H new ATOM 0 HG SER A 75 -7.803 -0.443 -22.002 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.509 0.605 -23.728 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.486 1.301 -24.476 1.00 0.00 C ATOM 1005 C PRO A 76 -2.977 2.702 -24.811 1.00 0.00 C ATOM 1006 O PRO A 76 -2.201 3.644 -24.985 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.341 0.455 -25.745 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.555 -0.411 -25.826 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.426 -0.089 -24.644 1.00 0.00 C ATOM 0 HA PRO A 76 -1.543 1.415 -23.941 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.260 1.091 -26.627 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.436 -0.151 -25.705 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.092 -0.231 -26.757 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.275 -1.464 -25.819 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.268 0.543 -24.925 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.840 -0.990 -24.192 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.295 2.782 -24.944 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.051 4.002 -25.315 1.00 0.00 C ATOM 1019 C ASP A 77 -4.787 5.093 -24.334 1.00 0.00 C ATOM 1020 O ASP A 77 -4.323 6.174 -24.702 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.551 3.698 -25.366 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.216 4.248 -26.613 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -6.958 5.421 -26.955 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.997 3.506 -27.245 1.00 0.00 O ATOM 0 H ASP A 77 -4.902 1.976 -24.794 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.721 4.328 -26.301 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.701 2.619 -25.325 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.034 4.121 -24.485 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.974 4.780 -23.049 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.628 5.724 -22.007 1.00 0.00 C ATOM 1031 C GLY A 78 -4.824 5.167 -20.623 1.00 0.00 C ATOM 1032 O GLY A 78 -5.667 4.289 -20.420 1.00 0.00 O ATOM 0 H GLY A 78 -5.357 3.894 -22.719 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.587 6.025 -22.128 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.235 6.622 -22.121 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.105 5.697 -19.648 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.292 5.262 -18.286 1.00 0.00 C ATOM 1038 C CYS A 79 -4.930 6.345 -17.493 1.00 0.00 C ATOM 1039 O CYS A 79 -4.595 7.522 -17.623 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.011 4.890 -17.569 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.832 3.941 -18.565 1.00 0.00 S ATOM 0 H CYS A 79 -3.397 6.420 -19.777 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.913 4.369 -18.357 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.524 5.803 -17.227 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.263 4.311 -16.680 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.857 5.939 -16.680 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.576 6.875 -15.853 1.00 0.00 C ATOM 1048 C GLU A 80 -6.979 6.253 -14.533 1.00 0.00 C ATOM 1049 O GLU A 80 -7.477 5.127 -14.489 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.814 7.398 -16.588 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.916 6.360 -16.747 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.161 6.705 -15.953 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.922 7.591 -16.397 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.374 6.090 -14.887 1.00 0.00 O ATOM 0 H GLU A 80 -6.138 4.965 -16.567 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.908 7.710 -15.642 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.211 8.257 -16.047 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.517 7.753 -17.575 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.176 6.270 -17.802 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.543 5.387 -16.426 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.781 7.002 -13.457 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.125 6.545 -12.137 1.00 0.00 C ATOM 1063 C GLU A 81 -8.551 6.069 -12.145 1.00 0.00 C ATOM 1064 O GLU A 81 -9.480 6.846 -12.356 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.935 7.670 -11.123 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.360 9.025 -11.638 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.277 10.076 -11.495 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -5.386 10.134 -12.368 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -6.321 10.840 -10.509 1.00 0.00 O ATOM 0 H GLU A 81 -6.378 7.939 -13.484 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.472 5.721 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.505 7.437 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.885 7.713 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.639 8.938 -12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.249 9.351 -11.098 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.712 4.776 -11.922 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.012 4.179 -11.917 1.00 0.00 C ATOM 1078 C ASP A 82 -10.506 3.968 -10.490 1.00 0.00 C ATOM 1079 O ASP A 82 -10.109 3.030 -9.805 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.018 2.874 -12.728 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.002 1.866 -12.251 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.522 2.023 -11.126 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.706 0.906 -12.995 1.00 0.00 O ATOM 0 H ASP A 82 -7.946 4.127 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.708 4.863 -12.402 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.012 2.429 -12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.825 3.105 -13.776 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.413 4.847 -10.043 1.00 0.00 N ATOM 1089 CA PRO A 83 -12.023 4.774 -8.725 1.00 0.00 C ATOM 1090 C PRO A 83 -12.663 3.412 -8.559 1.00 0.00 C ATOM 1091 O PRO A 83 -12.905 2.920 -7.457 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.073 5.895 -8.773 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.528 6.838 -9.772 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.926 5.960 -10.814 1.00 0.00 C ATOM 0 HA PRO A 83 -11.332 4.895 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.051 5.516 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.198 6.370 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.310 7.472 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.783 7.500 -9.330 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.666 5.637 -11.547 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.135 6.470 -11.364 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.850 2.789 -9.703 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.363 1.467 -9.798 1.00 0.00 C ATOM 1104 C ALA A 84 -12.362 0.495 -9.195 1.00 0.00 C ATOM 1105 O ALA A 84 -12.679 -0.659 -8.909 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.555 1.157 -11.261 1.00 0.00 C ATOM 0 H ALA A 84 -12.640 3.211 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.308 1.377 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.949 0.147 -11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.257 1.869 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.598 1.231 -11.777 1.00 0.00 H new ATOM 1112 N CYS A 85 -11.139 0.984 -9.035 1.00 0.00 N ATOM 1113 CA CYS A 85 -10.074 0.176 -8.495 1.00 0.00 C ATOM 1114 C CYS A 85 -9.386 0.690 -7.210 1.00 0.00 C ATOM 1115 O CYS A 85 -8.905 -0.163 -6.463 1.00 0.00 O ATOM 1116 CB CYS A 85 -9.024 -0.151 -9.540 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.733 -1.936 -9.698 1.00 0.00 S ATOM 0 H CYS A 85 -10.868 1.938 -9.274 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.604 -0.725 -8.186 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.338 0.249 -10.504 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.089 0.345 -9.279 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.286 2.021 -6.897 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.565 2.367 -5.626 1.00 0.00 C ATOM 1124 C ASP A 86 -8.099 3.818 -5.319 1.00 0.00 C ATOM 1125 O ASP A 86 -7.778 4.090 -4.159 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.253 1.612 -5.627 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.688 1.421 -4.235 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -7.363 0.772 -3.406 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -5.575 1.919 -3.971 1.00 0.00 O ATOM 0 H ASP A 86 -9.653 2.801 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.339 2.137 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.400 0.637 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.529 2.151 -6.238 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.896 4.722 -6.282 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.312 6.026 -6.002 1.00 0.00 C ATOM 1136 C PRO A 87 -8.301 7.133 -5.954 1.00 0.00 C ATOM 1137 O PRO A 87 -8.596 7.701 -4.902 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.387 6.225 -7.199 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.778 5.172 -8.178 1.00 0.00 C ATOM 1140 CD PRO A 87 -8.070 4.579 -7.699 1.00 0.00 C ATOM 0 HA PRO A 87 -6.834 6.047 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.504 7.221 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.341 6.124 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.896 5.598 -9.174 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.006 4.406 -8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.940 5.121 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.189 3.539 -8.002 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.837 7.411 -7.110 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.849 8.442 -7.228 1.00 0.00 C ATOM 1150 C GLU A 88 -11.152 7.810 -6.740 1.00 0.00 C ATOM 1151 O GLU A 88 -12.254 8.339 -6.874 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.941 8.856 -8.703 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.604 10.203 -8.957 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.303 10.742 -10.344 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -10.896 10.232 -11.320 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -9.473 11.668 -10.457 1.00 0.00 O ATOM 0 H GLU A 88 -8.596 6.944 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.625 9.334 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.935 8.880 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.493 8.089 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.683 10.103 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.263 10.920 -8.210 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.931 6.567 -6.286 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.916 5.587 -5.853 1.00 0.00 C ATOM 1165 C ALA A 89 -12.736 5.836 -4.602 1.00 0.00 C ATOM 1166 O ALA A 89 -12.537 6.742 -3.792 1.00 0.00 O ATOM 1167 CB ALA A 89 -11.190 4.257 -5.676 1.00 0.00 C ATOM 0 H ALA A 89 -9.982 6.201 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.667 5.629 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.899 3.496 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.745 3.957 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.407 4.367 -4.926 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.600 4.844 -4.495 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.519 4.555 -3.444 1.00 0.00 C ATOM 1175 C ALA A 90 -13.863 3.492 -2.588 1.00 0.00 C ATOM 1176 O ALA A 90 -12.648 3.315 -2.662 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.786 4.000 -4.061 1.00 0.00 C ATOM 0 H ALA A 90 -13.671 4.148 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.765 5.438 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.504 3.772 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.214 4.738 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.553 3.090 -4.615 1.00 0.00 H new ATOM 1183 N PHE A 91 -14.640 2.728 -1.843 1.00 0.00 N ATOM 1184 CA PHE A 91 -14.066 1.640 -1.065 1.00 0.00 C ATOM 1185 C PHE A 91 -13.772 0.514 -2.044 1.00 0.00 C ATOM 1186 O PHE A 91 -14.240 -0.615 -1.899 1.00 0.00 O ATOM 1187 CB PHE A 91 -15.036 1.178 0.022 1.00 0.00 C ATOM 1188 CG PHE A 91 -15.613 2.313 0.818 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -16.630 3.097 0.297 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -15.132 2.602 2.084 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -17.156 4.147 1.022 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -15.654 3.653 2.815 1.00 0.00 C ATOM 1193 CZ PHE A 91 -16.667 4.426 2.282 1.00 0.00 C ATOM 0 H PHE A 91 -15.651 2.835 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.157 1.961 -0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -15.848 0.616 -0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -14.519 0.495 0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.016 2.884 -0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -14.340 2.000 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -17.949 4.749 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -15.270 3.869 3.801 1.00 0.00 H new ATOM 0 HZ PHE A 91 -17.076 5.248 2.851 1.00 0.00 H new ATOM 1203 N SER A 92 -12.998 0.877 -3.067 1.00 0.00 N ATOM 1204 CA SER A 92 -12.615 -0.017 -4.139 1.00 0.00 C ATOM 1205 C SER A 92 -11.178 -0.503 -3.967 1.00 0.00 C ATOM 1206 O SER A 92 -10.977 -1.735 -3.917 1.00 0.00 O ATOM 1207 CB SER A 92 -12.787 0.716 -5.479 1.00 0.00 C ATOM 1208 OG SER A 92 -12.063 0.076 -6.497 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.268 0.347 -3.882 1.00 0.00 O ATOM 0 H SER A 92 -12.618 1.818 -3.168 1.00 0.00 H new ATOM 0 HA SER A 92 -13.256 -0.898 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.843 0.751 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.449 1.747 -5.380 1.00 0.00 H new ATOM 0 HG SER A 92 -12.686 -0.336 -7.132 1.00 0.00 H new TER 1215 SER A 92