USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0493 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -45:sc= 1.01 USER MOD Single : A 10 TYR OH : rot 180:sc=-0.000619 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3!) USER MOD Single : A 31 SER OG : rot 27:sc= 1.07 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc=-0.00981 (180deg=-0.135) USER MOD Single : A 36 THR OG1 : rot 29:sc= 0.364! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.05 K(o=-1,f=-6.2!) USER MOD Single : A 62 LYS NZ :NH3+ -122:sc= -0.832 (180deg=-2.74!) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0138 USER MOD Single : A 65 MET CE :methyl -163:sc= -0.0561 (180deg=-0.471) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 78:sc= -1.08 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.959 -3.328 -13.221 1.00 0.00 N ATOM 2 CA GLY A 1 -26.349 -4.313 -14.214 1.00 0.00 C ATOM 3 C GLY A 1 -27.397 -5.276 -13.693 1.00 0.00 C ATOM 4 O GLY A 1 -28.136 -4.957 -12.762 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.876 -2.395 -13.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.679 -3.287 -12.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.043 -3.596 -12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.735 -3.802 -15.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.469 -4.874 -14.530 1.00 0.00 H new ATOM 8 N SER A 2 -27.463 -6.459 -14.297 1.00 0.00 N ATOM 9 CA SER A 2 -28.433 -7.470 -13.892 1.00 0.00 C ATOM 10 C SER A 2 -28.081 -8.044 -12.523 1.00 0.00 C ATOM 11 O SER A 2 -26.978 -7.838 -12.016 1.00 0.00 O ATOM 12 CB SER A 2 -28.491 -8.594 -14.928 1.00 0.00 C ATOM 13 OG SER A 2 -29.214 -8.191 -16.079 1.00 0.00 O ATOM 0 H SER A 2 -26.857 -6.740 -15.068 1.00 0.00 H new ATOM 0 HA SER A 2 -29.411 -6.994 -13.826 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.479 -8.883 -15.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.962 -9.474 -14.489 1.00 0.00 H new ATOM 0 HG SER A 2 -29.235 -8.926 -16.726 1.00 0.00 H new ATOM 19 N SER A 3 -29.027 -8.764 -11.929 1.00 0.00 N ATOM 20 CA SER A 3 -28.819 -9.365 -10.616 1.00 0.00 C ATOM 21 C SER A 3 -28.612 -10.871 -10.735 1.00 0.00 C ATOM 22 O SER A 3 -29.572 -11.638 -10.805 1.00 0.00 O ATOM 23 CB SER A 3 -30.012 -9.072 -9.704 1.00 0.00 C ATOM 24 OG SER A 3 -30.029 -7.713 -9.306 1.00 0.00 O ATOM 0 H SER A 3 -29.945 -8.946 -12.335 1.00 0.00 H new ATOM 0 HA SER A 3 -27.921 -8.927 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.939 -9.313 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.965 -9.712 -8.823 1.00 0.00 H new ATOM 0 HG SER A 3 -30.802 -7.552 -8.725 1.00 0.00 H new ATOM 30 N GLY A 4 -27.350 -11.289 -10.757 1.00 0.00 N ATOM 31 CA GLY A 4 -27.039 -12.702 -10.867 1.00 0.00 C ATOM 32 C GLY A 4 -26.315 -13.234 -9.645 1.00 0.00 C ATOM 33 O GLY A 4 -25.293 -13.909 -9.766 1.00 0.00 O ATOM 0 H GLY A 4 -26.538 -10.674 -10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.962 -13.264 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.423 -12.867 -11.751 1.00 0.00 H new ATOM 37 N SER A 5 -26.846 -12.928 -8.466 1.00 0.00 N ATOM 38 CA SER A 5 -26.241 -13.374 -7.216 1.00 0.00 C ATOM 39 C SER A 5 -27.312 -13.678 -6.173 1.00 0.00 C ATOM 40 O SER A 5 -28.305 -12.960 -6.059 1.00 0.00 O ATOM 41 CB SER A 5 -25.279 -12.312 -6.683 1.00 0.00 C ATOM 42 OG SER A 5 -24.257 -12.030 -7.624 1.00 0.00 O ATOM 0 H SER A 5 -27.694 -12.373 -8.350 1.00 0.00 H new ATOM 0 HA SER A 5 -25.684 -14.289 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.830 -11.399 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.833 -12.656 -5.750 1.00 0.00 H new ATOM 0 HG SER A 5 -23.656 -11.347 -7.260 1.00 0.00 H new ATOM 48 N SER A 6 -27.101 -14.747 -5.412 1.00 0.00 N ATOM 49 CA SER A 6 -28.049 -15.149 -4.379 1.00 0.00 C ATOM 50 C SER A 6 -27.821 -14.358 -3.095 1.00 0.00 C ATOM 51 O SER A 6 -27.855 -14.912 -1.997 1.00 0.00 O ATOM 52 CB SER A 6 -27.924 -16.647 -4.097 1.00 0.00 C ATOM 53 OG SER A 6 -28.828 -17.053 -3.084 1.00 0.00 O ATOM 0 H SER A 6 -26.282 -15.350 -5.491 1.00 0.00 H new ATOM 0 HA SER A 6 -29.055 -14.938 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.120 -17.210 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.903 -16.879 -3.792 1.00 0.00 H new ATOM 0 HG SER A 6 -28.801 -16.411 -2.344 1.00 0.00 H new ATOM 59 N GLY A 7 -27.588 -13.057 -3.242 1.00 0.00 N ATOM 60 CA GLY A 7 -27.358 -12.209 -2.086 1.00 0.00 C ATOM 61 C GLY A 7 -26.053 -11.444 -2.180 1.00 0.00 C ATOM 62 O GLY A 7 -24.994 -12.032 -2.403 1.00 0.00 O ATOM 0 H GLY A 7 -27.554 -12.575 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.183 -11.504 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.352 -12.822 -1.185 1.00 0.00 H new ATOM 66 N LEU A 8 -26.127 -10.128 -2.010 1.00 0.00 N ATOM 67 CA LEU A 8 -24.942 -9.280 -2.079 1.00 0.00 C ATOM 68 C LEU A 8 -24.688 -8.591 -0.742 1.00 0.00 C ATOM 69 O LEU A 8 -24.575 -7.367 -0.675 1.00 0.00 O ATOM 70 CB LEU A 8 -25.102 -8.234 -3.183 1.00 0.00 C ATOM 71 CG LEU A 8 -25.201 -8.774 -4.610 1.00 0.00 C ATOM 72 CD1 LEU A 8 -26.051 -7.853 -5.471 1.00 0.00 C ATOM 73 CD2 LEU A 8 -23.814 -8.941 -5.214 1.00 0.00 C ATOM 0 H LEU A 8 -26.995 -9.626 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 8 -24.085 -9.913 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -25.998 -7.649 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -24.255 -7.550 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 8 -25.681 -9.752 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -26.110 -8.253 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -27.054 -7.783 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -25.599 -6.861 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -23.903 -9.326 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -23.308 -7.976 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -23.236 -9.641 -4.610 1.00 0.00 H new ATOM 85 N ASP A 9 -24.598 -9.384 0.319 1.00 0.00 N ATOM 86 CA ASP A 9 -24.354 -8.851 1.655 1.00 0.00 C ATOM 87 C ASP A 9 -22.933 -9.162 2.113 1.00 0.00 C ATOM 88 O ASP A 9 -22.463 -8.629 3.118 1.00 0.00 O ATOM 89 CB ASP A 9 -25.362 -9.429 2.650 1.00 0.00 C ATOM 90 CG ASP A 9 -26.698 -8.713 2.603 1.00 0.00 C ATOM 91 OD1 ASP A 9 -27.006 -8.102 1.558 1.00 0.00 O ATOM 92 OD2 ASP A 9 -27.434 -8.763 3.610 1.00 0.00 O ATOM 0 H ASP A 9 -24.690 -10.399 0.281 1.00 0.00 H new ATOM 0 HA ASP A 9 -24.475 -7.768 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.513 -10.487 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.952 -9.362 3.658 1.00 0.00 H new ATOM 97 N TYR A 10 -22.254 -10.029 1.370 1.00 0.00 N ATOM 98 CA TYR A 10 -20.887 -10.414 1.702 1.00 0.00 C ATOM 99 C TYR A 10 -19.902 -9.317 1.311 1.00 0.00 C ATOM 100 O TYR A 10 -18.689 -9.490 1.423 1.00 0.00 O ATOM 101 CB TYR A 10 -20.518 -11.721 0.997 1.00 0.00 C ATOM 102 CG TYR A 10 -20.861 -11.732 -0.476 1.00 0.00 C ATOM 103 CD1 TYR A 10 -21.234 -10.566 -1.132 1.00 0.00 C ATOM 104 CD2 TYR A 10 -20.811 -12.910 -1.211 1.00 0.00 C ATOM 105 CE1 TYR A 10 -21.549 -10.572 -2.477 1.00 0.00 C ATOM 106 CE2 TYR A 10 -21.123 -12.926 -2.557 1.00 0.00 C ATOM 107 CZ TYR A 10 -21.492 -11.754 -3.185 1.00 0.00 C ATOM 108 OH TYR A 10 -21.803 -11.764 -4.525 1.00 0.00 O ATOM 0 H TYR A 10 -22.628 -10.478 0.534 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.830 -10.561 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -19.449 -11.898 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -21.033 -12.547 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -21.279 -9.638 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -20.523 -13.829 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -21.838 -9.656 -2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -21.078 -13.850 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 10 -21.712 -12.675 -4.875 1.00 0.00 H new ATOM 118 N GLN A 11 -20.434 -8.188 0.855 1.00 0.00 N ATOM 119 CA GLN A 11 -19.603 -7.062 0.448 1.00 0.00 C ATOM 120 C GLN A 11 -19.924 -5.821 1.274 1.00 0.00 C ATOM 121 O GLN A 11 -19.029 -5.065 1.652 1.00 0.00 O ATOM 122 CB GLN A 11 -19.802 -6.764 -1.039 1.00 0.00 C ATOM 123 CG GLN A 11 -19.477 -7.941 -1.944 1.00 0.00 C ATOM 124 CD GLN A 11 -18.038 -7.930 -2.422 1.00 0.00 C ATOM 125 OE1 GLN A 11 -17.106 -8.040 -1.624 1.00 0.00 O ATOM 126 NE2 GLN A 11 -17.849 -7.797 -3.729 1.00 0.00 N ATOM 0 H GLN A 11 -21.437 -8.029 0.758 1.00 0.00 H new ATOM 0 HA GLN A 11 -18.561 -7.332 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -20.836 -6.463 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.175 -5.917 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -19.671 -8.870 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.143 -7.925 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.650 -7.709 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.902 -7.783 -4.109 1.00 0.00 H new ATOM 135 N ARG A 12 -21.208 -5.617 1.552 1.00 0.00 N ATOM 136 CA ARG A 12 -21.648 -4.467 2.332 1.00 0.00 C ATOM 137 C ARG A 12 -20.720 -4.229 3.520 1.00 0.00 C ATOM 138 O ARG A 12 -20.515 -3.090 3.942 1.00 0.00 O ATOM 139 CB ARG A 12 -23.081 -4.676 2.825 1.00 0.00 C ATOM 140 CG ARG A 12 -24.134 -4.067 1.913 1.00 0.00 C ATOM 141 CD ARG A 12 -24.374 -2.601 2.240 1.00 0.00 C ATOM 142 NE ARG A 12 -23.392 -1.730 1.602 1.00 0.00 N ATOM 143 CZ ARG A 12 -23.330 -1.529 0.290 1.00 0.00 C ATOM 144 NH1 ARG A 12 -24.189 -2.134 -0.518 1.00 0.00 N ATOM 145 NH2 ARG A 12 -22.407 -0.721 -0.216 1.00 0.00 N ATOM 0 H ARG A 12 -21.962 -6.234 1.248 1.00 0.00 H new ATOM 0 HA ARG A 12 -21.617 -3.589 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -23.271 -5.745 2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -23.181 -4.243 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -23.816 -4.162 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -25.068 -4.621 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -25.375 -2.317 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -24.336 -2.460 3.320 1.00 0.00 H new ATOM 0 HE ARG A 12 -22.716 -1.249 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -24.900 -2.756 -0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -24.139 -1.978 -1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -21.744 -0.253 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -22.360 -0.568 -1.223 1.00 0.00 H new ATOM 159 N LEU A 13 -20.163 -5.310 4.054 1.00 0.00 N ATOM 160 CA LEU A 13 -19.257 -5.219 5.194 1.00 0.00 C ATOM 161 C LEU A 13 -18.323 -4.021 5.054 1.00 0.00 C ATOM 162 O LEU A 13 -18.147 -3.484 3.960 1.00 0.00 O ATOM 163 CB LEU A 13 -18.439 -6.506 5.324 1.00 0.00 C ATOM 164 CG LEU A 13 -17.940 -7.119 4.015 1.00 0.00 C ATOM 165 CD1 LEU A 13 -16.750 -6.337 3.479 1.00 0.00 C ATOM 166 CD2 LEU A 13 -17.572 -8.581 4.217 1.00 0.00 C ATOM 0 H LEU A 13 -20.322 -6.259 3.716 1.00 0.00 H new ATOM 0 HA LEU A 13 -19.857 -5.084 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.576 -6.302 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.047 -7.248 5.841 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.744 -7.066 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.408 -6.788 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -17.046 -5.304 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -15.942 -6.358 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -17.219 -9.001 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -16.784 -8.658 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -18.449 -9.134 4.555 1.00 0.00 H new ATOM 178 N TYR A 14 -17.726 -3.610 6.167 1.00 0.00 N ATOM 179 CA TYR A 14 -16.810 -2.475 6.168 1.00 0.00 C ATOM 180 C TYR A 14 -16.032 -2.402 4.858 1.00 0.00 C ATOM 181 O TYR A 14 -15.882 -1.332 4.270 1.00 0.00 O ATOM 182 CB TYR A 14 -15.839 -2.578 7.345 1.00 0.00 C ATOM 183 CG TYR A 14 -15.040 -3.862 7.361 1.00 0.00 C ATOM 184 CD1 TYR A 14 -15.585 -5.036 7.866 1.00 0.00 C ATOM 185 CD2 TYR A 14 -13.740 -3.901 6.871 1.00 0.00 C ATOM 186 CE1 TYR A 14 -14.858 -6.211 7.883 1.00 0.00 C ATOM 187 CE2 TYR A 14 -13.007 -5.071 6.883 1.00 0.00 C ATOM 188 CZ TYR A 14 -13.570 -6.224 7.390 1.00 0.00 C ATOM 189 OH TYR A 14 -12.843 -7.392 7.405 1.00 0.00 O ATOM 0 H TYR A 14 -17.860 -4.045 7.080 1.00 0.00 H new ATOM 0 HA TYR A 14 -17.400 -1.564 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -15.152 -1.733 7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -16.400 -2.498 8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -16.594 -5.030 8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.295 -3.000 6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -15.296 -7.115 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.998 -5.084 6.498 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.956 -7.230 7.021 1.00 0.00 H new ATOM 199 N GLY A 15 -15.538 -3.551 4.405 1.00 0.00 N ATOM 200 CA GLY A 15 -14.782 -3.596 3.167 1.00 0.00 C ATOM 201 C GLY A 15 -13.534 -2.737 3.218 1.00 0.00 C ATOM 202 O GLY A 15 -13.555 -1.628 3.753 1.00 0.00 O ATOM 0 H GLY A 15 -15.648 -4.451 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.501 -4.627 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.416 -3.262 2.346 1.00 0.00 H new ATOM 206 N THR A 16 -12.441 -3.250 2.662 1.00 0.00 N ATOM 207 CA THR A 16 -11.177 -2.524 2.648 1.00 0.00 C ATOM 208 C THR A 16 -10.586 -2.475 1.244 1.00 0.00 C ATOM 209 O THR A 16 -9.967 -3.436 0.787 1.00 0.00 O ATOM 210 CB THR A 16 -10.152 -3.164 3.603 1.00 0.00 C ATOM 211 OG1 THR A 16 -10.552 -2.957 4.962 1.00 0.00 O ATOM 212 CG2 THR A 16 -8.766 -2.576 3.382 1.00 0.00 C ATOM 0 H THR A 16 -12.406 -4.166 2.215 1.00 0.00 H new ATOM 0 HA THR A 16 -11.391 -1.509 2.984 1.00 0.00 H new ATOM 0 HB THR A 16 -10.114 -4.233 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.896 -3.368 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.059 -3.043 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.452 -2.761 2.355 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.793 -1.502 3.565 1.00 0.00 H new ATOM 220 N ARG A 17 -10.780 -1.350 0.564 1.00 0.00 N ATOM 221 CA ARG A 17 -10.266 -1.177 -0.789 1.00 0.00 C ATOM 222 C ARG A 17 -8.925 -0.448 -0.772 1.00 0.00 C ATOM 223 O ARG A 17 -8.829 0.686 -0.301 1.00 0.00 O ATOM 224 CB ARG A 17 -11.270 -0.400 -1.643 1.00 0.00 C ATOM 225 CG ARG A 17 -11.215 -0.755 -3.120 1.00 0.00 C ATOM 226 CD ARG A 17 -12.055 0.200 -3.954 1.00 0.00 C ATOM 227 NE ARG A 17 -11.417 1.505 -4.100 1.00 0.00 N ATOM 228 CZ ARG A 17 -11.609 2.515 -3.259 1.00 0.00 C ATOM 229 NH1 ARG A 17 -12.416 2.370 -2.217 1.00 0.00 N ATOM 230 NH2 ARG A 17 -10.993 3.673 -3.459 1.00 0.00 N ATOM 0 H ARG A 17 -11.289 -0.545 0.928 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.117 -2.165 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.276 -0.590 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.083 0.668 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.181 -0.727 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.571 -1.775 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.225 -0.233 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.032 0.324 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.789 1.649 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.891 1.481 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.562 3.147 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.371 3.788 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.141 4.448 -2.812 1.00 0.00 H new ATOM 244 N CYS A 18 -7.893 -1.107 -1.288 1.00 0.00 N ATOM 245 CA CYS A 18 -6.558 -0.524 -1.332 1.00 0.00 C ATOM 246 C CYS A 18 -6.605 0.903 -1.871 1.00 0.00 C ATOM 247 O CYS A 18 -7.196 1.163 -2.920 1.00 0.00 O ATOM 248 CB CYS A 18 -5.633 -1.379 -2.201 1.00 0.00 C ATOM 249 SG CYS A 18 -3.934 -0.736 -2.334 1.00 0.00 S ATOM 0 H CYS A 18 -7.956 -2.046 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.167 -0.497 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.597 -2.388 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.060 -1.456 -3.201 1.00 0.00 H new ATOM 254 N PHE A 19 -5.978 1.824 -1.147 1.00 0.00 N ATOM 255 CA PHE A 19 -5.948 3.225 -1.552 1.00 0.00 C ATOM 256 C PHE A 19 -4.797 3.488 -2.518 1.00 0.00 C ATOM 257 O PHE A 19 -4.276 4.600 -2.592 1.00 0.00 O ATOM 258 CB PHE A 19 -5.815 4.130 -0.325 1.00 0.00 C ATOM 259 CG PHE A 19 -7.134 4.592 0.225 1.00 0.00 C ATOM 260 CD1 PHE A 19 -7.872 5.563 -0.433 1.00 0.00 C ATOM 261 CD2 PHE A 19 -7.636 4.056 1.400 1.00 0.00 C ATOM 262 CE1 PHE A 19 -9.086 5.991 0.070 1.00 0.00 C ATOM 263 CE2 PHE A 19 -8.850 4.480 1.908 1.00 0.00 C ATOM 264 CZ PHE A 19 -9.575 5.449 1.243 1.00 0.00 C ATOM 0 H PHE A 19 -5.484 1.626 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.885 3.450 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.273 3.594 0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.215 5.001 -0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.494 5.990 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.073 3.299 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.652 6.748 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.231 4.054 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.523 5.783 1.639 1.00 0.00 H new ATOM 274 N SER A 20 -4.407 2.455 -3.258 1.00 0.00 N ATOM 275 CA SER A 20 -3.315 2.572 -4.218 1.00 0.00 C ATOM 276 C SER A 20 -3.773 2.162 -5.614 1.00 0.00 C ATOM 277 O SER A 20 -3.880 2.995 -6.515 1.00 0.00 O ATOM 278 CB SER A 20 -2.130 1.707 -3.783 1.00 0.00 C ATOM 279 OG SER A 20 -0.937 2.112 -4.431 1.00 0.00 O ATOM 0 H SER A 20 -4.830 1.528 -3.211 1.00 0.00 H new ATOM 0 HA SER A 20 -3.002 3.616 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.002 1.777 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.335 0.661 -4.013 1.00 0.00 H new ATOM 0 HG SER A 20 -0.170 1.928 -3.849 1.00 0.00 H new ATOM 285 N CYS A 21 -4.041 0.872 -5.787 1.00 0.00 N ATOM 286 CA CYS A 21 -4.487 0.349 -7.073 1.00 0.00 C ATOM 287 C CYS A 21 -6.009 0.393 -7.180 1.00 0.00 C ATOM 288 O CYS A 21 -6.573 0.173 -8.252 1.00 0.00 O ATOM 289 CB CYS A 21 -3.992 -1.086 -7.262 1.00 0.00 C ATOM 290 SG CYS A 21 -4.440 -2.212 -5.902 1.00 0.00 S ATOM 0 H CYS A 21 -3.957 0.169 -5.052 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.067 0.977 -7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.398 -1.479 -8.194 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.907 -1.074 -7.367 1.00 0.00 H new ATOM 295 N ASP A 22 -6.667 0.678 -6.062 1.00 0.00 N ATOM 296 CA ASP A 22 -8.123 0.752 -6.029 1.00 0.00 C ATOM 297 C ASP A 22 -8.741 -0.635 -6.174 1.00 0.00 C ATOM 298 O ASP A 22 -9.605 -0.853 -7.023 1.00 0.00 O ATOM 299 CB ASP A 22 -8.633 1.670 -7.140 1.00 0.00 C ATOM 300 CG ASP A 22 -7.836 2.956 -7.240 1.00 0.00 C ATOM 301 OD1 ASP A 22 -7.896 3.767 -6.292 1.00 0.00 O ATOM 302 OD2 ASP A 22 -7.153 3.152 -8.267 1.00 0.00 O ATOM 0 H ASP A 22 -6.215 0.862 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.420 1.163 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.587 1.143 -8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.681 1.909 -6.958 1.00 0.00 H new ATOM 307 N GLN A 23 -8.291 -1.568 -5.341 1.00 0.00 N ATOM 308 CA GLN A 23 -8.799 -2.934 -5.379 1.00 0.00 C ATOM 309 C GLN A 23 -9.026 -3.469 -3.969 1.00 0.00 C ATOM 310 O GLN A 23 -8.268 -3.165 -3.048 1.00 0.00 O ATOM 311 CB GLN A 23 -7.825 -3.842 -6.131 1.00 0.00 C ATOM 312 CG GLN A 23 -7.442 -3.318 -7.506 1.00 0.00 C ATOM 313 CD GLN A 23 -8.649 -2.958 -8.350 1.00 0.00 C ATOM 314 OE1 GLN A 23 -9.671 -3.644 -8.316 1.00 0.00 O ATOM 315 NE2 GLN A 23 -8.537 -1.877 -9.112 1.00 0.00 N ATOM 0 H GLN A 23 -7.576 -1.403 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.755 -2.925 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.922 -3.965 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.273 -4.830 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.808 -2.439 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.851 -4.072 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.671 -1.338 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.317 -1.585 -9.701 1.00 0.00 H new ATOM 324 N PHE A 24 -10.075 -4.269 -3.807 1.00 0.00 N ATOM 325 CA PHE A 24 -10.404 -4.846 -2.508 1.00 0.00 C ATOM 326 C PHE A 24 -9.267 -5.729 -2.003 1.00 0.00 C ATOM 327 O PHE A 24 -8.839 -6.659 -2.686 1.00 0.00 O ATOM 328 CB PHE A 24 -11.695 -5.661 -2.601 1.00 0.00 C ATOM 329 CG PHE A 24 -12.937 -4.816 -2.617 1.00 0.00 C ATOM 330 CD1 PHE A 24 -13.034 -3.720 -3.458 1.00 0.00 C ATOM 331 CD2 PHE A 24 -14.008 -5.119 -1.791 1.00 0.00 C ATOM 332 CE1 PHE A 24 -14.176 -2.941 -3.474 1.00 0.00 C ATOM 333 CE2 PHE A 24 -15.152 -4.344 -1.803 1.00 0.00 C ATOM 334 CZ PHE A 24 -15.236 -3.254 -2.647 1.00 0.00 C ATOM 0 H PHE A 24 -10.712 -4.533 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.549 -4.029 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.667 -6.269 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.743 -6.348 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -12.209 -3.471 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.948 -5.971 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.239 -2.088 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -15.979 -4.590 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 24 -16.130 -2.648 -2.660 1.00 0.00 H new ATOM 344 N ILE A 25 -8.782 -5.429 -0.802 1.00 0.00 N ATOM 345 CA ILE A 25 -7.696 -6.195 -0.204 1.00 0.00 C ATOM 346 C ILE A 25 -8.223 -7.446 0.490 1.00 0.00 C ATOM 347 O ILE A 25 -8.878 -7.362 1.528 1.00 0.00 O ATOM 348 CB ILE A 25 -6.905 -5.351 0.813 1.00 0.00 C ATOM 349 CG1 ILE A 25 -6.539 -3.994 0.208 1.00 0.00 C ATOM 350 CG2 ILE A 25 -5.654 -6.094 1.258 1.00 0.00 C ATOM 351 CD1 ILE A 25 -6.075 -2.982 1.232 1.00 0.00 C ATOM 0 H ILE A 25 -9.124 -4.661 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.031 -6.487 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.533 -5.180 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.752 -4.136 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.405 -3.595 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.105 -5.485 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.938 -7.038 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.021 -6.292 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.833 -2.044 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.868 -2.811 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.190 -3.361 1.742 1.00 0.00 H new ATOM 363 N GLU A 26 -7.929 -8.606 -0.089 1.00 0.00 N ATOM 364 CA GLU A 26 -8.373 -9.875 0.475 1.00 0.00 C ATOM 365 C GLU A 26 -7.235 -10.566 1.222 1.00 0.00 C ATOM 366 O GLU A 26 -6.062 -10.362 0.913 1.00 0.00 O ATOM 367 CB GLU A 26 -8.904 -10.792 -0.629 1.00 0.00 C ATOM 368 CG GLU A 26 -9.361 -12.150 -0.124 1.00 0.00 C ATOM 369 CD GLU A 26 -9.987 -12.998 -1.215 1.00 0.00 C ATOM 370 OE1 GLU A 26 -9.285 -13.306 -2.201 1.00 0.00 O ATOM 371 OE2 GLU A 26 -11.177 -13.351 -1.083 1.00 0.00 O ATOM 0 H GLU A 26 -7.386 -8.693 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.176 -9.668 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.738 -10.300 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.124 -10.935 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.509 -12.681 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.082 -12.010 0.681 1.00 0.00 H new ATOM 378 N GLY A 27 -7.592 -11.385 2.206 1.00 0.00 N ATOM 379 CA GLY A 27 -6.591 -12.093 2.982 1.00 0.00 C ATOM 380 C GLY A 27 -6.109 -11.292 4.176 1.00 0.00 C ATOM 381 O GLY A 27 -6.190 -11.754 5.313 1.00 0.00 O ATOM 0 H GLY A 27 -8.557 -11.571 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.006 -13.040 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.742 -12.332 2.342 1.00 0.00 H new ATOM 385 N GLU A 28 -5.605 -10.090 3.915 1.00 0.00 N ATOM 386 CA GLU A 28 -5.105 -9.226 4.978 1.00 0.00 C ATOM 387 C GLU A 28 -4.764 -7.840 4.436 1.00 0.00 C ATOM 388 O GLU A 28 -4.357 -7.694 3.284 1.00 0.00 O ATOM 389 CB GLU A 28 -3.870 -9.847 5.633 1.00 0.00 C ATOM 390 CG GLU A 28 -3.305 -9.018 6.775 1.00 0.00 C ATOM 391 CD GLU A 28 -2.490 -9.846 7.749 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.057 -10.782 8.351 1.00 0.00 O ATOM 393 OE2 GLU A 28 -1.285 -9.559 7.908 1.00 0.00 O ATOM 0 H GLU A 28 -5.532 -9.693 2.978 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.890 -9.122 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.127 -10.838 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.097 -9.982 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.680 -8.223 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.124 -8.537 7.310 1.00 0.00 H new ATOM 400 N VAL A 29 -4.935 -6.824 5.277 1.00 0.00 N ATOM 401 CA VAL A 29 -4.646 -5.450 4.884 1.00 0.00 C ATOM 402 C VAL A 29 -3.612 -4.820 5.811 1.00 0.00 C ATOM 403 O VAL A 29 -3.476 -5.217 6.968 1.00 0.00 O ATOM 404 CB VAL A 29 -5.920 -4.585 4.891 1.00 0.00 C ATOM 405 CG1 VAL A 29 -6.800 -4.938 6.081 1.00 0.00 C ATOM 406 CG2 VAL A 29 -5.559 -3.107 4.904 1.00 0.00 C ATOM 0 H VAL A 29 -5.272 -6.927 6.234 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.247 -5.487 3.870 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.483 -4.791 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.695 -4.316 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.087 -5.988 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.249 -4.763 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.471 -2.510 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.974 -2.883 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.973 -2.868 4.016 1.00 0.00 H new ATOM 416 N VAL A 30 -2.884 -3.836 5.294 1.00 0.00 N ATOM 417 CA VAL A 30 -1.863 -3.149 6.075 1.00 0.00 C ATOM 418 C VAL A 30 -2.305 -1.735 6.436 1.00 0.00 C ATOM 419 O VAL A 30 -2.139 -0.802 5.650 1.00 0.00 O ATOM 420 CB VAL A 30 -0.526 -3.078 5.312 1.00 0.00 C ATOM 421 CG1 VAL A 30 0.526 -2.361 6.145 1.00 0.00 C ATOM 422 CG2 VAL A 30 -0.056 -4.473 4.931 1.00 0.00 C ATOM 0 H VAL A 30 -2.982 -3.497 4.337 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.722 -3.727 6.989 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.680 -2.508 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.464 -2.320 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.189 -1.348 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.680 -2.901 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.889 -4.404 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.082 -5.069 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.802 -4.947 4.294 1.00 0.00 H new ATOM 432 N SER A 31 -2.869 -1.584 7.630 1.00 0.00 N ATOM 433 CA SER A 31 -3.339 -0.284 8.095 1.00 0.00 C ATOM 434 C SER A 31 -2.164 0.633 8.423 1.00 0.00 C ATOM 435 O SER A 31 -1.481 0.447 9.430 1.00 0.00 O ATOM 436 CB SER A 31 -4.230 -0.451 9.327 1.00 0.00 C ATOM 437 OG SER A 31 -3.478 -0.890 10.445 1.00 0.00 O ATOM 0 H SER A 31 -3.012 -2.346 8.293 1.00 0.00 H new ATOM 0 HA SER A 31 -3.921 0.172 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.714 0.497 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.021 -1.169 9.113 1.00 0.00 H new ATOM 0 HG SER A 31 -2.546 -0.603 10.346 1.00 0.00 H new ATOM 443 N ALA A 32 -1.935 1.622 7.566 1.00 0.00 N ATOM 444 CA ALA A 32 -0.845 2.569 7.765 1.00 0.00 C ATOM 445 C ALA A 32 -1.309 4.000 7.515 1.00 0.00 C ATOM 446 O ALA A 32 -1.931 4.293 6.493 1.00 0.00 O ATOM 447 CB ALA A 32 0.325 2.225 6.855 1.00 0.00 C ATOM 0 H ALA A 32 -2.490 1.788 6.727 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.518 2.497 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.132 2.940 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.680 1.220 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.002 2.268 5.815 1.00 0.00 H new ATOM 453 N LEU A 33 -1.004 4.888 8.455 1.00 0.00 N ATOM 454 CA LEU A 33 -1.390 6.290 8.337 1.00 0.00 C ATOM 455 C LEU A 33 -2.898 6.426 8.154 1.00 0.00 C ATOM 456 O LEU A 33 -3.366 7.235 7.355 1.00 0.00 O ATOM 457 CB LEU A 33 -0.661 6.943 7.162 1.00 0.00 C ATOM 458 CG LEU A 33 0.861 6.791 7.148 1.00 0.00 C ATOM 459 CD1 LEU A 33 1.430 7.250 5.814 1.00 0.00 C ATOM 460 CD2 LEU A 33 1.485 7.574 8.294 1.00 0.00 C ATOM 0 H LEU A 33 -0.491 4.662 9.307 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.107 6.798 9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.056 6.524 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.900 8.006 7.158 1.00 0.00 H new ATOM 0 HG LEU A 33 1.104 5.737 7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.514 7.135 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.007 6.647 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.178 8.298 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.568 7.455 8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.234 8.630 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.101 7.199 9.243 1.00 0.00 H new ATOM 472 N GLY A 34 -3.654 5.628 8.902 1.00 0.00 N ATOM 473 CA GLY A 34 -5.102 5.676 8.808 1.00 0.00 C ATOM 474 C GLY A 34 -5.602 5.392 7.406 1.00 0.00 C ATOM 475 O GLY A 34 -6.502 6.070 6.910 1.00 0.00 O ATOM 0 H GLY A 34 -3.290 4.949 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.532 4.950 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.451 6.660 9.122 1.00 0.00 H new ATOM 479 N LYS A 35 -5.017 4.387 6.763 1.00 0.00 N ATOM 480 CA LYS A 35 -5.407 4.014 5.408 1.00 0.00 C ATOM 481 C LYS A 35 -5.216 2.518 5.180 1.00 0.00 C ATOM 482 O LYS A 35 -4.723 1.803 6.054 1.00 0.00 O ATOM 483 CB LYS A 35 -4.591 4.805 4.384 1.00 0.00 C ATOM 484 CG LYS A 35 -4.767 6.309 4.497 1.00 0.00 C ATOM 485 CD LYS A 35 -6.161 6.741 4.072 1.00 0.00 C ATOM 486 CE LYS A 35 -6.244 6.953 2.568 1.00 0.00 C ATOM 487 NZ LYS A 35 -5.542 8.197 2.144 1.00 0.00 N ATOM 0 H LYS A 35 -4.270 3.816 7.159 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.463 4.251 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.536 4.561 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.877 4.488 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.586 6.621 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.025 6.811 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.886 5.985 4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.430 7.664 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.806 6.096 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.290 7.005 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.828 8.444 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.794 8.974 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.514 8.043 2.173 1.00 0.00 H new ATOM 501 N THR A 36 -5.608 2.049 3.999 1.00 0.00 N ATOM 502 CA THR A 36 -5.480 0.638 3.656 1.00 0.00 C ATOM 503 C THR A 36 -4.705 0.457 2.355 1.00 0.00 C ATOM 504 O THR A 36 -5.052 1.042 1.329 1.00 0.00 O ATOM 505 CB THR A 36 -6.859 -0.033 3.517 1.00 0.00 C ATOM 506 OG1 THR A 36 -7.524 0.451 2.344 1.00 0.00 O ATOM 507 CG2 THR A 36 -7.719 0.237 4.742 1.00 0.00 C ATOM 0 H THR A 36 -6.017 2.626 3.264 1.00 0.00 H new ATOM 0 HA THR A 36 -4.933 0.162 4.470 1.00 0.00 H new ATOM 0 HB THR A 36 -6.707 -1.109 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.858 0.702 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.688 -0.247 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.224 -0.160 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.862 1.311 4.856 1.00 0.00 H new ATOM 515 N TYR A 37 -3.656 -0.356 2.406 1.00 0.00 N ATOM 516 CA TYR A 37 -2.831 -0.612 1.231 1.00 0.00 C ATOM 517 C TYR A 37 -2.451 -2.087 1.144 1.00 0.00 C ATOM 518 O TYR A 37 -2.508 -2.815 2.136 1.00 0.00 O ATOM 519 CB TYR A 37 -1.568 0.250 1.271 1.00 0.00 C ATOM 520 CG TYR A 37 -1.849 1.735 1.290 1.00 0.00 C ATOM 521 CD1 TYR A 37 -2.360 2.379 0.169 1.00 0.00 C ATOM 522 CD2 TYR A 37 -1.603 2.494 2.427 1.00 0.00 C ATOM 523 CE1 TYR A 37 -2.617 3.737 0.182 1.00 0.00 C ATOM 524 CE2 TYR A 37 -1.859 3.852 2.449 1.00 0.00 C ATOM 525 CZ TYR A 37 -2.366 4.468 1.324 1.00 0.00 C ATOM 526 OH TYR A 37 -2.621 5.820 1.341 1.00 0.00 O ATOM 0 H TYR A 37 -3.357 -0.849 3.247 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.412 -0.352 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.987 -0.013 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.951 0.017 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.559 1.809 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.205 2.015 3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.012 4.223 -0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.663 4.427 3.342 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.391 6.185 2.221 1.00 0.00 H new ATOM 536 N HIS A 38 -2.063 -2.522 -0.051 1.00 0.00 N ATOM 537 CA HIS A 38 -1.672 -3.910 -0.269 1.00 0.00 C ATOM 538 C HIS A 38 -0.266 -4.169 0.264 1.00 0.00 C ATOM 539 O HIS A 38 0.524 -3.248 0.472 1.00 0.00 O ATOM 540 CB HIS A 38 -1.736 -4.252 -1.758 1.00 0.00 C ATOM 541 CG HIS A 38 -3.072 -4.769 -2.197 1.00 0.00 C ATOM 542 ND1 HIS A 38 -3.817 -4.178 -3.195 1.00 0.00 N ATOM 543 CD2 HIS A 38 -3.796 -5.829 -1.768 1.00 0.00 C ATOM 544 CE1 HIS A 38 -4.941 -4.851 -3.360 1.00 0.00 C ATOM 545 NE2 HIS A 38 -4.953 -5.858 -2.506 1.00 0.00 N ATOM 0 H HIS A 38 -2.011 -1.934 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.370 -4.547 0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.492 -3.362 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.975 -4.998 -1.984 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.515 -6.523 -0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.718 -4.617 -4.072 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.700 -6.546 -2.410 1.00 0.00 H new ATOM 553 N PRO A 39 0.055 -5.451 0.491 1.00 0.00 N ATOM 554 CA PRO A 39 1.366 -5.861 1.003 1.00 0.00 C ATOM 555 C PRO A 39 2.476 -5.663 -0.023 1.00 0.00 C ATOM 556 O PRO A 39 3.650 -5.895 0.266 1.00 0.00 O ATOM 557 CB PRO A 39 1.179 -7.349 1.308 1.00 0.00 C ATOM 558 CG PRO A 39 0.078 -7.785 0.405 1.00 0.00 C ATOM 559 CD PRO A 39 -0.838 -6.600 0.265 1.00 0.00 C ATOM 0 HA PRO A 39 1.669 -5.270 1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.094 -7.910 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.920 -7.509 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.468 -8.093 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.453 -8.641 0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.299 -6.563 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.648 -6.629 0.994 1.00 0.00 H new ATOM 567 N ASP A 40 2.098 -5.232 -1.221 1.00 0.00 N ATOM 568 CA ASP A 40 3.063 -5.002 -2.290 1.00 0.00 C ATOM 569 C ASP A 40 2.969 -3.569 -2.807 1.00 0.00 C ATOM 570 O ASP A 40 3.890 -3.070 -3.454 1.00 0.00 O ATOM 571 CB ASP A 40 2.831 -5.987 -3.437 1.00 0.00 C ATOM 572 CG ASP A 40 2.742 -7.422 -2.958 1.00 0.00 C ATOM 573 OD1 ASP A 40 3.584 -7.823 -2.128 1.00 0.00 O ATOM 574 OD2 ASP A 40 1.832 -8.145 -3.415 1.00 0.00 O ATOM 0 H ASP A 40 1.130 -5.035 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 40 4.062 -5.159 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.911 -5.723 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.643 -5.898 -4.159 1.00 0.00 H new ATOM 579 N CYS A 41 1.850 -2.913 -2.518 1.00 0.00 N ATOM 580 CA CYS A 41 1.634 -1.539 -2.954 1.00 0.00 C ATOM 581 C CYS A 41 2.345 -0.557 -2.027 1.00 0.00 C ATOM 582 O CYS A 41 2.687 0.556 -2.429 1.00 0.00 O ATOM 583 CB CYS A 41 0.138 -1.225 -2.997 1.00 0.00 C ATOM 584 SG CYS A 41 -0.743 -1.990 -4.396 1.00 0.00 S ATOM 0 H CYS A 41 1.078 -3.312 -1.983 1.00 0.00 H new ATOM 0 HA CYS A 41 2.049 -1.432 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.320 -1.560 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.006 -0.144 -3.046 1.00 0.00 H new ATOM 589 N PHE A 42 2.565 -0.976 -0.786 1.00 0.00 N ATOM 590 CA PHE A 42 3.234 -0.134 0.198 1.00 0.00 C ATOM 591 C PHE A 42 4.750 -0.232 0.057 1.00 0.00 C ATOM 592 O PHE A 42 5.479 -0.227 1.050 1.00 0.00 O ATOM 593 CB PHE A 42 2.815 -0.535 1.614 1.00 0.00 C ATOM 594 CG PHE A 42 3.308 0.407 2.675 1.00 0.00 C ATOM 595 CD1 PHE A 42 2.948 1.744 2.654 1.00 0.00 C ATOM 596 CD2 PHE A 42 4.131 -0.045 3.694 1.00 0.00 C ATOM 597 CE1 PHE A 42 3.400 2.613 3.629 1.00 0.00 C ATOM 598 CE2 PHE A 42 4.586 0.819 4.672 1.00 0.00 C ATOM 599 CZ PHE A 42 4.220 2.150 4.639 1.00 0.00 C ATOM 0 H PHE A 42 2.290 -1.894 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 42 2.936 0.899 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.727 -0.586 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.190 -1.536 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.307 2.112 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.420 -1.085 3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.112 3.654 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.227 0.454 5.461 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.574 2.828 5.402 1.00 0.00 H new ATOM 609 N VAL A 43 5.219 -0.322 -1.184 1.00 0.00 N ATOM 610 CA VAL A 43 6.647 -0.421 -1.456 1.00 0.00 C ATOM 611 C VAL A 43 7.160 0.828 -2.164 1.00 0.00 C ATOM 612 O VAL A 43 6.380 1.693 -2.563 1.00 0.00 O ATOM 613 CB VAL A 43 6.970 -1.655 -2.319 1.00 0.00 C ATOM 614 CG1 VAL A 43 6.331 -2.902 -1.728 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.508 -1.438 -3.752 1.00 0.00 C ATOM 0 H VAL A 43 4.630 -0.328 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 43 7.146 -0.520 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 43 8.050 -1.798 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.570 -3.764 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.715 -3.065 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.249 -2.772 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.744 -2.320 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.431 -1.269 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.017 -0.570 -4.171 1.00 0.00 H new ATOM 625 N CYS A 44 8.477 0.917 -2.316 1.00 0.00 N ATOM 626 CA CYS A 44 9.096 2.060 -2.976 1.00 0.00 C ATOM 627 C CYS A 44 8.369 2.398 -4.275 1.00 0.00 C ATOM 628 O CYS A 44 7.580 1.601 -4.782 1.00 0.00 O ATOM 629 CB CYS A 44 10.571 1.773 -3.264 1.00 0.00 C ATOM 630 SG CYS A 44 11.525 3.234 -3.784 1.00 0.00 S ATOM 0 H CYS A 44 9.137 0.210 -1.991 1.00 0.00 H new ATOM 0 HA CYS A 44 9.024 2.917 -2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.030 1.353 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.637 1.013 -4.043 1.00 0.00 H new ATOM 635 N ALA A 45 8.641 3.585 -4.807 1.00 0.00 N ATOM 636 CA ALA A 45 8.016 4.027 -6.047 1.00 0.00 C ATOM 637 C ALA A 45 8.990 3.935 -7.217 1.00 0.00 C ATOM 638 O ALA A 45 8.579 3.847 -8.374 1.00 0.00 O ATOM 639 CB ALA A 45 7.499 5.451 -5.899 1.00 0.00 C ATOM 0 H ALA A 45 9.290 4.258 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 45 7.175 3.366 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.035 5.768 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.763 5.489 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.329 6.117 -5.662 1.00 0.00 H new ATOM 645 N VAL A 46 10.282 3.956 -6.908 1.00 0.00 N ATOM 646 CA VAL A 46 11.315 3.874 -7.933 1.00 0.00 C ATOM 647 C VAL A 46 11.700 2.425 -8.211 1.00 0.00 C ATOM 648 O VAL A 46 11.412 1.889 -9.282 1.00 0.00 O ATOM 649 CB VAL A 46 12.575 4.659 -7.525 1.00 0.00 C ATOM 650 CG1 VAL A 46 13.551 4.747 -8.689 1.00 0.00 C ATOM 651 CG2 VAL A 46 12.200 6.047 -7.028 1.00 0.00 C ATOM 0 H VAL A 46 10.639 4.029 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 46 10.898 4.316 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 46 13.065 4.126 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.435 5.305 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.844 3.743 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.074 5.256 -9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 46 13.103 6.588 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.686 6.591 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.543 5.958 -6.163 1.00 0.00 H new ATOM 661 N CYS A 47 12.353 1.796 -7.240 1.00 0.00 N ATOM 662 CA CYS A 47 12.778 0.408 -7.378 1.00 0.00 C ATOM 663 C CYS A 47 11.616 -0.546 -7.117 1.00 0.00 C ATOM 664 O CYS A 47 11.640 -1.701 -7.542 1.00 0.00 O ATOM 665 CB CYS A 47 13.927 0.107 -6.414 1.00 0.00 C ATOM 666 SG CYS A 47 13.489 0.291 -4.655 1.00 0.00 S ATOM 0 H CYS A 47 12.600 2.226 -6.348 1.00 0.00 H new ATOM 0 HA CYS A 47 13.123 0.260 -8.401 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.274 -0.912 -6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 47 14.761 0.771 -6.641 1.00 0.00 H new ATOM 671 N ARG A 48 10.600 -0.054 -6.415 1.00 0.00 N ATOM 672 CA ARG A 48 9.430 -0.862 -6.096 1.00 0.00 C ATOM 673 C ARG A 48 9.822 -2.087 -5.275 1.00 0.00 C ATOM 674 O ARG A 48 9.414 -3.208 -5.579 1.00 0.00 O ATOM 675 CB ARG A 48 8.722 -1.301 -7.379 1.00 0.00 C ATOM 676 CG ARG A 48 8.347 -0.146 -8.294 1.00 0.00 C ATOM 677 CD ARG A 48 6.964 0.396 -7.969 1.00 0.00 C ATOM 678 NE ARG A 48 6.348 1.049 -9.121 1.00 0.00 N ATOM 679 CZ ARG A 48 5.342 1.911 -9.026 1.00 0.00 C ATOM 680 NH1 ARG A 48 4.841 2.222 -7.838 1.00 0.00 N ATOM 681 NH2 ARG A 48 4.835 2.464 -10.120 1.00 0.00 N ATOM 0 H ARG A 48 10.564 0.900 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 48 8.749 -0.251 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.369 -1.989 -7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.819 -1.852 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.084 0.651 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.374 -0.479 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.325 -0.420 -7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.037 1.107 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 48 6.710 0.831 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.228 1.799 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.068 2.884 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.218 2.227 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.062 3.126 -10.046 1.00 0.00 H new ATOM 695 N LEU A 49 10.616 -1.864 -4.234 1.00 0.00 N ATOM 696 CA LEU A 49 11.065 -2.950 -3.368 1.00 0.00 C ATOM 697 C LEU A 49 10.523 -2.776 -1.953 1.00 0.00 C ATOM 698 O LEU A 49 10.429 -1.666 -1.429 1.00 0.00 O ATOM 699 CB LEU A 49 12.593 -3.006 -3.338 1.00 0.00 C ATOM 700 CG LEU A 49 13.272 -2.214 -2.220 1.00 0.00 C ATOM 701 CD1 LEU A 49 13.026 -2.875 -0.872 1.00 0.00 C ATOM 702 CD2 LEU A 49 14.764 -2.085 -2.488 1.00 0.00 C ATOM 0 H LEU A 49 10.962 -0.942 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 49 10.682 -3.887 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.897 -4.049 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.969 -2.642 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 49 12.840 -1.214 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.517 -2.297 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.954 -2.915 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.430 -3.887 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.231 -1.518 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.211 -3.078 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.920 -1.566 -3.434 1.00 0.00 H new ATOM 714 N PRO A 50 10.159 -3.900 -1.316 1.00 0.00 N ATOM 715 CA PRO A 50 9.623 -3.898 0.048 1.00 0.00 C ATOM 716 C PRO A 50 10.680 -3.536 1.086 1.00 0.00 C ATOM 717 O PRO A 50 11.724 -4.184 1.176 1.00 0.00 O ATOM 718 CB PRO A 50 9.152 -5.341 0.246 1.00 0.00 C ATOM 719 CG PRO A 50 9.986 -6.144 -0.692 1.00 0.00 C ATOM 720 CD PRO A 50 10.243 -5.258 -1.880 1.00 0.00 C ATOM 0 HA PRO A 50 8.834 -3.156 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.292 -5.665 1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.091 -5.445 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.921 -6.447 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.469 -7.056 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.221 -5.450 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.503 -5.414 -2.665 1.00 0.00 H new ATOM 728 N PHE A 51 10.404 -2.498 1.868 1.00 0.00 N ATOM 729 CA PHE A 51 11.332 -2.050 2.900 1.00 0.00 C ATOM 730 C PHE A 51 11.488 -3.108 3.988 1.00 0.00 C ATOM 731 O PHE A 51 10.514 -3.689 4.469 1.00 0.00 O ATOM 732 CB PHE A 51 10.846 -0.736 3.516 1.00 0.00 C ATOM 733 CG PHE A 51 10.334 0.247 2.504 1.00 0.00 C ATOM 734 CD1 PHE A 51 11.214 0.993 1.735 1.00 0.00 C ATOM 735 CD2 PHE A 51 8.972 0.426 2.319 1.00 0.00 C ATOM 736 CE1 PHE A 51 10.744 1.899 0.803 1.00 0.00 C ATOM 737 CE2 PHE A 51 8.497 1.331 1.389 1.00 0.00 C ATOM 738 CZ PHE A 51 9.385 2.068 0.629 1.00 0.00 C ATOM 0 H PHE A 51 9.545 -1.951 1.807 1.00 0.00 H new ATOM 0 HA PHE A 51 12.304 -1.888 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.055 -0.951 4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 51 11.665 -0.280 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.278 0.865 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.273 -0.149 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.440 2.475 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.433 1.462 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.017 2.775 -0.100 1.00 0.00 H new ATOM 748 N PRO A 52 12.742 -3.366 4.387 1.00 0.00 N ATOM 749 CA PRO A 52 13.057 -4.355 5.422 1.00 0.00 C ATOM 750 C PRO A 52 12.604 -3.907 6.808 1.00 0.00 C ATOM 751 O PRO A 52 12.273 -2.743 7.033 1.00 0.00 O ATOM 752 CB PRO A 52 14.583 -4.456 5.365 1.00 0.00 C ATOM 753 CG PRO A 52 15.028 -3.146 4.811 1.00 0.00 C ATOM 754 CD PRO A 52 13.950 -2.711 3.857 1.00 0.00 C ATOM 0 HA PRO A 52 12.547 -5.303 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.006 -4.632 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.902 -5.283 4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.165 -2.413 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.985 -3.244 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.844 -1.626 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.164 -3.028 2.836 1.00 0.00 H new ATOM 762 N PRO A 53 12.590 -4.851 7.760 1.00 0.00 N ATOM 763 CA PRO A 53 12.181 -4.577 9.141 1.00 0.00 C ATOM 764 C PRO A 53 13.189 -3.706 9.882 1.00 0.00 C ATOM 765 O PRO A 53 14.238 -4.184 10.313 1.00 0.00 O ATOM 766 CB PRO A 53 12.109 -5.969 9.773 1.00 0.00 C ATOM 767 CG PRO A 53 13.043 -6.801 8.964 1.00 0.00 C ATOM 768 CD PRO A 53 12.972 -6.260 7.563 1.00 0.00 C ATOM 0 HA PRO A 53 11.242 -4.025 9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.408 -5.944 10.821 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.095 -6.367 9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.059 -6.740 9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.754 -7.852 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.929 -6.349 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.237 -6.795 6.962 1.00 0.00 H new ATOM 776 N GLY A 54 12.864 -2.425 10.028 1.00 0.00 N ATOM 777 CA GLY A 54 13.753 -1.508 10.718 1.00 0.00 C ATOM 778 C GLY A 54 14.441 -0.545 9.771 1.00 0.00 C ATOM 779 O GLY A 54 15.644 -0.308 9.883 1.00 0.00 O ATOM 0 H GLY A 54 12.001 -2.006 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.185 -0.943 11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 54 14.506 -2.078 11.263 1.00 0.00 H new ATOM 783 N ASP A 55 13.678 0.010 8.836 1.00 0.00 N ATOM 784 CA ASP A 55 14.222 0.952 7.865 1.00 0.00 C ATOM 785 C ASP A 55 13.330 2.184 7.744 1.00 0.00 C ATOM 786 O ASP A 55 12.111 2.069 7.615 1.00 0.00 O ATOM 787 CB ASP A 55 14.373 0.280 6.500 1.00 0.00 C ATOM 788 CG ASP A 55 15.518 0.860 5.693 1.00 0.00 C ATOM 789 OD1 ASP A 55 16.584 1.132 6.285 1.00 0.00 O ATOM 790 OD2 ASP A 55 15.349 1.040 4.469 1.00 0.00 O ATOM 0 H ASP A 55 12.681 -0.176 8.730 1.00 0.00 H new ATOM 0 HA ASP A 55 15.204 1.270 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.536 -0.789 6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.445 0.390 5.939 1.00 0.00 H new ATOM 795 N ARG A 56 13.946 3.361 7.789 1.00 0.00 N ATOM 796 CA ARG A 56 13.207 4.613 7.686 1.00 0.00 C ATOM 797 C ARG A 56 12.591 4.770 6.299 1.00 0.00 C ATOM 798 O ARG A 56 13.092 4.216 5.320 1.00 0.00 O ATOM 799 CB ARG A 56 14.128 5.799 7.984 1.00 0.00 C ATOM 800 CG ARG A 56 14.291 6.085 9.468 1.00 0.00 C ATOM 801 CD ARG A 56 13.232 7.054 9.968 1.00 0.00 C ATOM 802 NE ARG A 56 12.017 6.364 10.394 1.00 0.00 N ATOM 803 CZ ARG A 56 11.759 6.041 11.656 1.00 0.00 C ATOM 804 NH1 ARG A 56 12.627 6.343 12.612 1.00 0.00 N ATOM 805 NH2 ARG A 56 10.632 5.413 11.965 1.00 0.00 N ATOM 0 H ARG A 56 14.954 3.473 7.896 1.00 0.00 H new ATOM 0 HA ARG A 56 12.402 4.592 8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.109 5.605 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.733 6.688 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.226 5.152 10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 56 15.282 6.500 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.633 7.631 10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.988 7.764 9.178 1.00 0.00 H new ATOM 0 HE ARG A 56 11.329 6.117 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.495 6.825 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.426 6.094 13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.962 5.178 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.435 5.166 12.935 1.00 0.00 H new ATOM 819 N VAL A 57 11.502 5.527 6.223 1.00 0.00 N ATOM 820 CA VAL A 57 10.817 5.757 4.956 1.00 0.00 C ATOM 821 C VAL A 57 10.640 7.248 4.690 1.00 0.00 C ATOM 822 O VAL A 57 10.124 7.984 5.532 1.00 0.00 O ATOM 823 CB VAL A 57 9.437 5.075 4.932 1.00 0.00 C ATOM 824 CG1 VAL A 57 8.705 5.395 3.637 1.00 0.00 C ATOM 825 CG2 VAL A 57 9.583 3.572 5.114 1.00 0.00 C ATOM 0 H VAL A 57 11.074 5.992 7.024 1.00 0.00 H new ATOM 0 HA VAL A 57 11.442 5.323 4.175 1.00 0.00 H new ATOM 0 HB VAL A 57 8.845 5.463 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.732 4.904 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.568 6.473 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.291 5.037 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.598 3.106 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.193 3.165 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.063 3.366 6.071 1.00 0.00 H new ATOM 835 N THR A 58 11.071 7.689 3.512 1.00 0.00 N ATOM 836 CA THR A 58 10.960 9.092 3.134 1.00 0.00 C ATOM 837 C THR A 58 9.638 9.369 2.429 1.00 0.00 C ATOM 838 O THR A 58 9.389 8.865 1.333 1.00 0.00 O ATOM 839 CB THR A 58 12.119 9.519 2.214 1.00 0.00 C ATOM 840 OG1 THR A 58 13.374 9.244 2.846 1.00 0.00 O ATOM 841 CG2 THR A 58 12.028 11.000 1.880 1.00 0.00 C ATOM 0 H THR A 58 11.500 7.094 2.803 1.00 0.00 H new ATOM 0 HA THR A 58 11.005 9.672 4.056 1.00 0.00 H new ATOM 0 HB THR A 58 12.046 8.949 1.288 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.105 9.517 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.857 11.278 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.085 11.201 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.077 11.584 2.799 1.00 0.00 H new ATOM 849 N PHE A 59 8.791 10.173 3.063 1.00 0.00 N ATOM 850 CA PHE A 59 7.493 10.517 2.496 1.00 0.00 C ATOM 851 C PHE A 59 7.621 11.667 1.501 1.00 0.00 C ATOM 852 O PHE A 59 7.898 12.803 1.881 1.00 0.00 O ATOM 853 CB PHE A 59 6.511 10.897 3.607 1.00 0.00 C ATOM 854 CG PHE A 59 6.785 10.204 4.911 1.00 0.00 C ATOM 855 CD1 PHE A 59 6.680 8.826 5.013 1.00 0.00 C ATOM 856 CD2 PHE A 59 7.147 10.930 6.034 1.00 0.00 C ATOM 857 CE1 PHE A 59 6.930 8.186 6.212 1.00 0.00 C ATOM 858 CE2 PHE A 59 7.399 10.295 7.236 1.00 0.00 C ATOM 859 CZ PHE A 59 7.291 8.921 7.325 1.00 0.00 C ATOM 0 H PHE A 59 8.981 10.599 3.970 1.00 0.00 H new ATOM 0 HA PHE A 59 7.113 9.643 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.550 11.975 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.498 10.658 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.400 8.246 4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.233 12.005 5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.843 7.112 6.279 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.680 10.873 8.104 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.488 8.422 8.262 1.00 0.00 H new ATOM 869 N ASN A 60 7.418 11.361 0.223 1.00 0.00 N ATOM 870 CA ASN A 60 7.513 12.367 -0.828 1.00 0.00 C ATOM 871 C ASN A 60 6.211 12.451 -1.619 1.00 0.00 C ATOM 872 O ASN A 60 5.891 11.559 -2.404 1.00 0.00 O ATOM 873 CB ASN A 60 8.675 12.045 -1.769 1.00 0.00 C ATOM 874 CG ASN A 60 8.860 13.100 -2.843 1.00 0.00 C ATOM 875 OD1 ASN A 60 7.948 13.874 -3.131 1.00 0.00 O ATOM 876 ND2 ASN A 60 10.046 13.135 -3.440 1.00 0.00 N ATOM 0 H ASN A 60 7.187 10.425 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 60 7.694 13.333 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.594 11.956 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.500 11.078 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.230 13.824 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.773 12.473 -3.169 1.00 0.00 H new ATOM 883 N GLY A 61 5.464 13.530 -1.407 1.00 0.00 N ATOM 884 CA GLY A 61 4.206 13.711 -2.108 1.00 0.00 C ATOM 885 C GLY A 61 3.225 12.588 -1.837 1.00 0.00 C ATOM 886 O GLY A 61 2.760 12.417 -0.710 1.00 0.00 O ATOM 0 H GLY A 61 5.707 14.282 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.760 14.659 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.396 13.773 -3.180 1.00 0.00 H new ATOM 890 N LYS A 62 2.906 11.820 -2.874 1.00 0.00 N ATOM 891 CA LYS A 62 1.973 10.707 -2.744 1.00 0.00 C ATOM 892 C LYS A 62 2.719 9.379 -2.663 1.00 0.00 C ATOM 893 O LYS A 62 2.293 8.460 -1.965 1.00 0.00 O ATOM 894 CB LYS A 62 1.002 10.688 -3.927 1.00 0.00 C ATOM 895 CG LYS A 62 0.099 11.907 -3.991 1.00 0.00 C ATOM 896 CD LYS A 62 -0.942 11.889 -2.885 1.00 0.00 C ATOM 897 CE LYS A 62 -1.966 10.786 -3.101 1.00 0.00 C ATOM 898 NZ LYS A 62 -1.545 9.506 -2.467 1.00 0.00 N ATOM 0 H LYS A 62 3.280 11.948 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 62 1.409 10.844 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.572 10.619 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.385 9.792 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.701 12.812 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.399 11.941 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.450 11.746 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.448 12.854 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.926 11.096 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.113 10.631 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.497 8.760 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.609 9.626 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.235 9.237 -1.737 1.00 0.00 H new ATOM 912 N GLU A 63 3.834 9.286 -3.381 1.00 0.00 N ATOM 913 CA GLU A 63 4.638 8.070 -3.389 1.00 0.00 C ATOM 914 C GLU A 63 5.751 8.147 -2.347 1.00 0.00 C ATOM 915 O GLU A 63 6.048 9.219 -1.818 1.00 0.00 O ATOM 916 CB GLU A 63 5.239 7.838 -4.777 1.00 0.00 C ATOM 917 CG GLU A 63 5.992 9.040 -5.322 1.00 0.00 C ATOM 918 CD GLU A 63 6.691 8.744 -6.635 1.00 0.00 C ATOM 919 OE1 GLU A 63 6.034 8.205 -7.549 1.00 0.00 O ATOM 920 OE2 GLU A 63 7.896 9.052 -6.747 1.00 0.00 O ATOM 0 H GLU A 63 4.201 10.038 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 63 3.987 7.233 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.916 6.985 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.440 7.575 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.296 9.867 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.729 9.366 -4.588 1.00 0.00 H new ATOM 927 N CYS A 64 6.361 7.003 -2.057 1.00 0.00 N ATOM 928 CA CYS A 64 7.440 6.939 -1.077 1.00 0.00 C ATOM 929 C CYS A 64 8.671 6.259 -1.668 1.00 0.00 C ATOM 930 O CYS A 64 8.556 5.358 -2.498 1.00 0.00 O ATOM 931 CB CYS A 64 6.978 6.188 0.173 1.00 0.00 C ATOM 932 SG CYS A 64 5.317 6.636 0.731 1.00 0.00 S ATOM 0 H CYS A 64 6.127 6.108 -2.486 1.00 0.00 H new ATOM 0 HA CYS A 64 7.708 7.959 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 64 7.006 5.117 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 64 7.685 6.379 0.981 1.00 0.00 H new ATOM 0 HG CYS A 64 5.015 5.947 1.791 1.00 0.00 H new ATOM 938 N MET A 65 9.848 6.699 -1.235 1.00 0.00 N ATOM 939 CA MET A 65 11.100 6.133 -1.721 1.00 0.00 C ATOM 940 C MET A 65 11.929 5.575 -0.569 1.00 0.00 C ATOM 941 O MET A 65 11.753 5.971 0.584 1.00 0.00 O ATOM 942 CB MET A 65 11.905 7.193 -2.477 1.00 0.00 C ATOM 943 CG MET A 65 11.574 7.265 -3.958 1.00 0.00 C ATOM 944 SD MET A 65 12.592 8.464 -4.840 1.00 0.00 S ATOM 945 CE MET A 65 12.054 9.992 -4.075 1.00 0.00 C ATOM 0 H MET A 65 9.960 7.445 -0.549 1.00 0.00 H new ATOM 0 HA MET A 65 10.859 5.316 -2.401 1.00 0.00 H new ATOM 0 HB2 MET A 65 11.722 8.168 -2.024 1.00 0.00 H new ATOM 0 HB3 MET A 65 12.968 6.982 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.710 6.280 -4.405 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.523 7.528 -4.079 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.352 10.835 -4.698 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.969 9.984 -3.970 1.00 0.00 H new ATOM 0 HE3 MET A 65 12.513 10.088 -3.091 1.00 0.00 H new ATOM 955 N CYS A 66 12.832 4.653 -0.887 1.00 0.00 N ATOM 956 CA CYS A 66 13.687 4.040 0.122 1.00 0.00 C ATOM 957 C CYS A 66 14.904 4.915 0.409 1.00 0.00 C ATOM 958 O CYS A 66 15.424 5.582 -0.485 1.00 0.00 O ATOM 959 CB CYS A 66 14.140 2.653 -0.338 1.00 0.00 C ATOM 960 SG CYS A 66 15.026 2.650 -1.930 1.00 0.00 S ATOM 0 H CYS A 66 12.990 4.314 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 66 13.108 3.940 1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 66 14.787 2.222 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 66 13.267 2.006 -0.419 1.00 0.00 H new ATOM 965 N GLN A 67 15.350 4.906 1.661 1.00 0.00 N ATOM 966 CA GLN A 67 16.505 5.699 2.065 1.00 0.00 C ATOM 967 C GLN A 67 17.523 5.795 0.933 1.00 0.00 C ATOM 968 O GLN A 67 18.069 6.865 0.664 1.00 0.00 O ATOM 969 CB GLN A 67 17.160 5.090 3.306 1.00 0.00 C ATOM 970 CG GLN A 67 18.199 5.993 3.951 1.00 0.00 C ATOM 971 CD GLN A 67 18.857 5.355 5.158 1.00 0.00 C ATOM 972 OE1 GLN A 67 19.881 4.681 5.038 1.00 0.00 O ATOM 973 NE2 GLN A 67 18.272 5.565 6.331 1.00 0.00 N ATOM 0 H GLN A 67 14.930 4.359 2.412 1.00 0.00 H new ATOM 0 HA GLN A 67 16.158 6.705 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 67 16.387 4.859 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 67 17.631 4.146 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 67 18.963 6.244 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.726 6.928 4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 67 17.425 6.130 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.670 5.161 7.179 1.00 0.00 H new ATOM 982 N LYS A 68 17.774 4.669 0.274 1.00 0.00 N ATOM 983 CA LYS A 68 18.726 4.625 -0.830 1.00 0.00 C ATOM 984 C LYS A 68 18.292 5.553 -1.960 1.00 0.00 C ATOM 985 O LYS A 68 18.923 6.581 -2.210 1.00 0.00 O ATOM 986 CB LYS A 68 18.863 3.194 -1.355 1.00 0.00 C ATOM 987 CG LYS A 68 19.492 2.238 -0.357 1.00 0.00 C ATOM 988 CD LYS A 68 18.474 1.736 0.653 1.00 0.00 C ATOM 989 CE LYS A 68 18.910 0.418 1.275 1.00 0.00 C ATOM 990 NZ LYS A 68 18.426 -0.752 0.492 1.00 0.00 N ATOM 0 H LYS A 68 17.331 3.775 0.485 1.00 0.00 H new ATOM 0 HA LYS A 68 19.693 4.963 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.877 2.821 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.465 3.205 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.927 1.391 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.307 2.740 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.338 2.482 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.508 1.607 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.998 0.388 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.530 0.355 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.744 -1.631 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.387 -0.738 0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.809 -0.706 -0.474 1.00 0.00 H new ATOM 1004 N CYS A 69 17.211 5.185 -2.640 1.00 0.00 N ATOM 1005 CA CYS A 69 16.692 5.985 -3.743 1.00 0.00 C ATOM 1006 C CYS A 69 16.646 7.464 -3.368 1.00 0.00 C ATOM 1007 O CYS A 69 17.262 8.301 -4.027 1.00 0.00 O ATOM 1008 CB CYS A 69 15.294 5.504 -4.135 1.00 0.00 C ATOM 1009 SG CYS A 69 15.268 3.865 -4.930 1.00 0.00 S ATOM 0 H CYS A 69 16.677 4.338 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 69 17.363 5.864 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 69 14.668 5.473 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 69 14.848 6.232 -4.813 1.00 0.00 H new ATOM 1014 N SER A 70 15.912 7.776 -2.305 1.00 0.00 N ATOM 1015 CA SER A 70 15.783 9.154 -1.844 1.00 0.00 C ATOM 1016 C SER A 70 17.086 9.920 -2.050 1.00 0.00 C ATOM 1017 O SER A 70 17.151 10.852 -2.854 1.00 0.00 O ATOM 1018 CB SER A 70 15.388 9.184 -0.366 1.00 0.00 C ATOM 1019 OG SER A 70 15.995 8.121 0.346 1.00 0.00 O ATOM 0 H SER A 70 15.398 7.094 -1.747 1.00 0.00 H new ATOM 0 HA SER A 70 15.002 9.637 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.685 10.136 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.304 9.115 -0.275 1.00 0.00 H new ATOM 0 HG SER A 70 16.933 8.341 0.525 1.00 0.00 H new ATOM 1025 N LEU A 71 18.121 9.523 -1.319 1.00 0.00 N ATOM 1026 CA LEU A 71 19.424 10.171 -1.420 1.00 0.00 C ATOM 1027 C LEU A 71 20.210 9.631 -2.610 1.00 0.00 C ATOM 1028 O LEU A 71 19.938 8.546 -3.124 1.00 0.00 O ATOM 1029 CB LEU A 71 20.220 9.962 -0.131 1.00 0.00 C ATOM 1030 CG LEU A 71 19.961 10.970 0.989 1.00 0.00 C ATOM 1031 CD1 LEU A 71 18.852 10.477 1.905 1.00 0.00 C ATOM 1032 CD2 LEU A 71 21.235 11.227 1.781 1.00 0.00 C ATOM 0 H LEU A 71 18.083 8.755 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 71 19.261 11.238 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.003 8.964 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 71 21.282 9.986 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 71 19.641 11.910 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.682 11.207 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.936 10.346 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.142 9.524 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.032 11.947 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.585 10.293 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.002 11.626 1.117 1.00 0.00 H new ATOM 1044 N PRO A 72 21.209 10.404 -3.059 1.00 0.00 N ATOM 1045 CA PRO A 72 22.057 10.023 -4.193 1.00 0.00 C ATOM 1046 C PRO A 72 22.979 8.855 -3.860 1.00 0.00 C ATOM 1047 O PRO A 72 23.564 8.802 -2.778 1.00 0.00 O ATOM 1048 CB PRO A 72 22.874 11.288 -4.466 1.00 0.00 C ATOM 1049 CG PRO A 72 22.903 12.010 -3.163 1.00 0.00 C ATOM 1050 CD PRO A 72 21.589 11.710 -2.495 1.00 0.00 C ATOM 0 HA PRO A 72 21.469 9.687 -5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.881 11.043 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.414 11.896 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 72 23.739 11.674 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 72 23.029 13.082 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 72 21.691 11.665 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.843 12.474 -2.714 1.00 0.00 H new ATOM 1058 N VAL A 73 23.105 7.920 -4.796 1.00 0.00 N ATOM 1059 CA VAL A 73 23.958 6.754 -4.602 1.00 0.00 C ATOM 1060 C VAL A 73 24.897 6.557 -5.787 1.00 0.00 C ATOM 1061 O VAL A 73 24.518 6.778 -6.937 1.00 0.00 O ATOM 1062 CB VAL A 73 23.122 5.475 -4.406 1.00 0.00 C ATOM 1063 CG1 VAL A 73 24.029 4.274 -4.182 1.00 0.00 C ATOM 1064 CG2 VAL A 73 22.153 5.645 -3.246 1.00 0.00 C ATOM 0 H VAL A 73 22.627 7.947 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 73 24.546 6.937 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 73 22.542 5.298 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.421 3.380 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 73 24.679 4.143 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.637 4.438 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 73 21.570 4.732 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.712 5.846 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.482 6.479 -3.452 1.00 0.00 H new ATOM 1074 N SER A 74 26.126 6.139 -5.498 1.00 0.00 N ATOM 1075 CA SER A 74 27.122 5.915 -6.539 1.00 0.00 C ATOM 1076 C SER A 74 26.468 5.387 -7.812 1.00 0.00 C ATOM 1077 O SER A 74 26.777 5.836 -8.915 1.00 0.00 O ATOM 1078 CB SER A 74 28.186 4.930 -6.052 1.00 0.00 C ATOM 1079 OG SER A 74 29.259 4.843 -6.973 1.00 0.00 O ATOM 0 H SER A 74 26.455 5.949 -4.552 1.00 0.00 H new ATOM 0 HA SER A 74 27.597 6.870 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 74 28.562 5.247 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 74 27.739 3.945 -5.915 1.00 0.00 H new ATOM 0 HG SER A 74 29.927 4.208 -6.638 1.00 0.00 H new ATOM 1085 N VAL A 75 25.561 4.428 -7.650 1.00 0.00 N ATOM 1086 CA VAL A 75 24.861 3.838 -8.784 1.00 0.00 C ATOM 1087 C VAL A 75 24.527 4.893 -9.833 1.00 0.00 C ATOM 1088 O VAL A 75 24.097 5.997 -9.502 1.00 0.00 O ATOM 1089 CB VAL A 75 23.562 3.140 -8.341 1.00 0.00 C ATOM 1090 CG1 VAL A 75 23.868 2.001 -7.381 1.00 0.00 C ATOM 1091 CG2 VAL A 75 22.609 4.142 -7.706 1.00 0.00 C ATOM 0 H VAL A 75 25.294 4.044 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 75 25.532 3.097 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 75 23.077 2.720 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 75 22.938 1.520 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 75 24.510 1.272 -7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 75 24.376 2.394 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.696 3.632 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.083 4.593 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 75 22.364 4.920 -8.429 1.00 0.00 H new ATOM 1101 N SER A 76 24.727 4.544 -11.100 1.00 0.00 N ATOM 1102 CA SER A 76 24.449 5.462 -12.198 1.00 0.00 C ATOM 1103 C SER A 76 24.578 4.754 -13.544 1.00 0.00 C ATOM 1104 O SER A 76 25.492 3.959 -13.755 1.00 0.00 O ATOM 1105 CB SER A 76 25.403 6.657 -12.145 1.00 0.00 C ATOM 1106 OG SER A 76 26.740 6.254 -12.383 1.00 0.00 O ATOM 0 H SER A 76 25.080 3.633 -11.391 1.00 0.00 H new ATOM 0 HA SER A 76 23.424 5.818 -12.091 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.105 7.397 -12.888 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.333 7.139 -11.170 1.00 0.00 H new ATOM 0 HG SER A 76 27.329 7.036 -12.345 1.00 0.00 H new ATOM 1112 N GLY A 77 23.652 5.050 -14.452 1.00 0.00 N ATOM 1113 CA GLY A 77 23.678 4.434 -15.765 1.00 0.00 C ATOM 1114 C GLY A 77 23.756 5.455 -16.883 1.00 0.00 C ATOM 1115 O GLY A 77 24.197 6.587 -16.688 1.00 0.00 O ATOM 0 H GLY A 77 22.885 5.705 -14.301 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.534 3.762 -15.831 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.783 3.825 -15.895 1.00 0.00 H new ATOM 1119 N PRO A 78 23.320 5.054 -18.087 1.00 0.00 N ATOM 1120 CA PRO A 78 23.333 5.928 -19.264 1.00 0.00 C ATOM 1121 C PRO A 78 22.311 7.055 -19.160 1.00 0.00 C ATOM 1122 O PRO A 78 21.608 7.178 -18.158 1.00 0.00 O ATOM 1123 CB PRO A 78 22.970 4.982 -20.411 1.00 0.00 C ATOM 1124 CG PRO A 78 22.197 3.883 -19.767 1.00 0.00 C ATOM 1125 CD PRO A 78 22.780 3.718 -18.391 1.00 0.00 C ATOM 0 HA PRO A 78 24.294 6.426 -19.392 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.377 5.491 -21.171 1.00 0.00 H new ATOM 0 HB3 PRO A 78 23.863 4.600 -20.907 1.00 0.00 H new ATOM 0 HG2 PRO A 78 21.137 4.130 -19.715 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.281 2.959 -20.340 1.00 0.00 H new ATOM 0 HD2 PRO A 78 22.023 3.416 -17.667 1.00 0.00 H new ATOM 0 HD3 PRO A 78 23.559 2.956 -18.373 1.00 0.00 H new ATOM 1133 N SER A 79 22.235 7.876 -20.203 1.00 0.00 N ATOM 1134 CA SER A 79 21.302 8.996 -20.227 1.00 0.00 C ATOM 1135 C SER A 79 20.072 8.660 -21.065 1.00 0.00 C ATOM 1136 O SER A 79 19.589 9.488 -21.838 1.00 0.00 O ATOM 1137 CB SER A 79 21.986 10.246 -20.784 1.00 0.00 C ATOM 1138 OG SER A 79 22.975 10.728 -19.890 1.00 0.00 O ATOM 0 H SER A 79 22.808 7.786 -21.042 1.00 0.00 H new ATOM 0 HA SER A 79 20.981 9.192 -19.204 1.00 0.00 H new ATOM 0 HB2 SER A 79 22.443 10.016 -21.747 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.242 11.023 -20.961 1.00 0.00 H new ATOM 0 HG SER A 79 23.398 11.526 -20.270 1.00 0.00 H new ATOM 1144 N SER A 80 19.571 7.440 -20.905 1.00 0.00 N ATOM 1145 CA SER A 80 18.399 6.991 -21.649 1.00 0.00 C ATOM 1146 C SER A 80 17.230 7.951 -21.451 1.00 0.00 C ATOM 1147 O SER A 80 16.732 8.546 -22.406 1.00 0.00 O ATOM 1148 CB SER A 80 17.998 5.582 -21.208 1.00 0.00 C ATOM 1149 OG SER A 80 18.893 4.612 -21.724 1.00 0.00 O ATOM 0 H SER A 80 19.958 6.744 -20.267 1.00 0.00 H new ATOM 0 HA SER A 80 18.656 6.973 -22.708 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.986 5.528 -20.119 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.986 5.365 -21.549 1.00 0.00 H new ATOM 0 HG SER A 80 18.616 3.720 -21.427 1.00 0.00 H new ATOM 1155 N GLY A 81 16.796 8.096 -20.203 1.00 0.00 N ATOM 1156 CA GLY A 81 15.689 8.984 -19.900 1.00 0.00 C ATOM 1157 C GLY A 81 15.591 9.307 -18.423 1.00 0.00 C ATOM 1158 O GLY A 81 15.443 10.477 -18.074 1.00 0.00 O ATOM 0 H GLY A 81 17.192 7.614 -19.396 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.805 9.910 -20.464 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.758 8.524 -20.231 1.00 0.00 H new TER 1162 GLY A 81 HETATM 1163 ZN ZN A 201 -3.045 -2.114 -4.042 1.00 0.00 ZN HETATM 1164 ZN ZN A 401 13.715 2.454 -3.828 1.00 0.00 ZN