USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 53 HIS HD1 : A 53 HIS ND1 : A 89 ZNZN :(H bumps) USER MOD Set 1.1: A 6 THR OG1 : rot 27:sc= 0.821 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.202 X(o=0.62,f=0.68) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.867 K(o=1.3,f=-0.51) USER MOD Set 2.2: A 39 SER OG : rot -90:sc= 0.458 USER MOD Single : A 1 ALA N :NH3+ 166:sc= 0.693 (180deg=0.495) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.0281 (180deg=-0.492) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -121:sc= 0.298 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.279 K(o=-0.28,f=-3.7!) USER MOD Single : A 38 ASN : amide:sc= -0.0989 X(o=-0.099,f=-0.6) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0.263 K(o=0.26,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.014) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.011) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.951 -2.761 9.008 1.00 0.00 N ATOM 2 CA ALA A 1 -1.285 -2.588 7.689 1.00 0.00 C ATOM 3 C ALA A 1 -1.321 -1.130 7.240 1.00 0.00 C ATOM 4 O ALA A 1 -2.394 -0.560 7.040 1.00 0.00 O ATOM 5 CB ALA A 1 -1.941 -3.478 6.639 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.124 -3.772 9.180 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.339 -2.382 9.758 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.857 -2.250 9.009 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.242 -2.884 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.441 -3.339 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.858 -4.521 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.993 -3.211 6.542 1.00 0.00 H new ATOM 13 N ARG A 2 -0.138 -0.533 7.084 1.00 0.00 N ATOM 14 CA ARG A 2 -0.031 0.860 6.659 1.00 0.00 C ATOM 15 C ARG A 2 -0.611 1.049 5.259 1.00 0.00 C ATOM 16 O ARG A 2 -0.074 0.526 4.278 1.00 0.00 O ATOM 17 CB ARG A 2 1.428 1.315 6.688 1.00 0.00 C ATOM 18 CG ARG A 2 1.808 2.060 7.962 1.00 0.00 C ATOM 19 CD ARG A 2 3.315 2.228 8.091 1.00 0.00 C ATOM 20 NE ARG A 2 4.040 1.008 7.733 1.00 0.00 N ATOM 21 CZ ARG A 2 4.565 0.772 6.526 1.00 0.00 C ATOM 22 NH1 ARG A 2 4.450 1.668 5.546 1.00 0.00 N ATOM 23 NH2 ARG A 2 5.202 -0.369 6.296 1.00 0.00 N ATOM 0 H ARG A 2 0.758 -0.994 7.246 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.606 1.471 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.074 0.444 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.616 1.960 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.331 3.040 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.427 1.517 8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.644 3.046 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.561 2.508 9.115 1.00 0.00 H new ATOM 0 HE ARG A 2 4.152 0.292 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.957 2.545 5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.855 1.476 4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.290 -1.063 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.604 -0.552 5.377 1.00 0.00 H new ATOM 37 N THR A 3 -1.710 1.798 5.177 1.00 0.00 N ATOM 38 CA THR A 3 -2.371 2.059 3.901 1.00 0.00 C ATOM 39 C THR A 3 -2.257 3.532 3.516 1.00 0.00 C ATOM 40 O THR A 3 -2.515 4.418 4.335 1.00 0.00 O ATOM 41 CB THR A 3 -3.853 1.660 3.965 1.00 0.00 C ATOM 42 OG1 THR A 3 -4.058 0.555 4.836 1.00 0.00 O ATOM 43 CG2 THR A 3 -4.428 1.293 2.615 1.00 0.00 C ATOM 0 H THR A 3 -2.161 2.235 5.981 1.00 0.00 H new ATOM 0 HA THR A 3 -1.871 1.457 3.143 1.00 0.00 H new ATOM 0 HB THR A 3 -4.366 2.546 4.340 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.011 0.327 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.477 1.021 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.345 2.145 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.877 0.448 2.202 1.00 0.00 H new ATOM 51 N LYS A 4 -1.883 3.787 2.262 1.00 0.00 N ATOM 52 CA LYS A 4 -1.751 5.152 1.762 1.00 0.00 C ATOM 53 C LYS A 4 -2.858 5.457 0.758 1.00 0.00 C ATOM 54 O LYS A 4 -3.099 4.679 -0.167 1.00 0.00 O ATOM 55 CB LYS A 4 -0.377 5.361 1.115 1.00 0.00 C ATOM 56 CG LYS A 4 0.574 6.195 1.962 1.00 0.00 C ATOM 57 CD LYS A 4 1.419 7.129 1.105 1.00 0.00 C ATOM 58 CE LYS A 4 2.459 7.861 1.940 1.00 0.00 C ATOM 59 NZ LYS A 4 3.165 8.921 1.164 1.00 0.00 N ATOM 0 H LYS A 4 -1.666 3.065 1.575 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.843 5.837 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.077 4.389 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.510 5.846 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.002 6.780 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.227 5.535 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.916 6.556 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.773 7.853 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.975 8.310 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.188 7.144 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.599 9.601 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.905 8.486 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.484 9.416 0.553 1.00 0.00 H new ATOM 73 N GLN A 5 -3.533 6.590 0.948 1.00 0.00 N ATOM 74 CA GLN A 5 -4.623 6.990 0.065 1.00 0.00 C ATOM 75 C GLN A 5 -4.209 8.172 -0.807 1.00 0.00 C ATOM 76 O GLN A 5 -3.820 9.227 -0.299 1.00 0.00 O ATOM 77 CB GLN A 5 -5.864 7.352 0.887 1.00 0.00 C ATOM 78 CG GLN A 5 -7.138 7.456 0.059 1.00 0.00 C ATOM 79 CD GLN A 5 -8.201 8.318 0.715 1.00 0.00 C ATOM 80 OE1 GLN A 5 -8.280 8.408 1.941 1.00 0.00 O ATOM 81 NE2 GLN A 5 -9.033 8.957 -0.103 1.00 0.00 N ATOM 0 H GLN A 5 -3.343 7.246 1.706 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.861 6.149 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.006 6.601 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.690 8.303 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.896 7.869 -0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.540 6.456 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.933 8.856 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.771 9.548 0.280 1.00 0.00 H new ATOM 90 N THR A 6 -4.293 7.984 -2.123 1.00 0.00 N ATOM 91 CA THR A 6 -3.928 9.027 -3.073 1.00 0.00 C ATOM 92 C THR A 6 -5.134 9.428 -3.923 1.00 0.00 C ATOM 93 O THR A 6 -5.667 8.615 -4.680 1.00 0.00 O ATOM 94 CB THR A 6 -2.776 8.547 -3.966 1.00 0.00 C ATOM 95 OG1 THR A 6 -3.199 7.494 -4.817 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.580 8.049 -3.180 1.00 0.00 C ATOM 0 H THR A 6 -4.612 7.116 -2.554 1.00 0.00 H new ATOM 0 HA THR A 6 -3.598 9.904 -2.517 1.00 0.00 H new ATOM 0 HB THR A 6 -2.477 9.422 -4.543 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.162 7.574 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.801 7.724 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.197 8.853 -2.552 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.881 7.211 -2.552 1.00 0.00 H new ATOM 104 N ALA A 7 -5.563 10.682 -3.783 1.00 0.00 N ATOM 105 CA ALA A 7 -6.712 11.190 -4.530 1.00 0.00 C ATOM 106 C ALA A 7 -6.279 12.126 -5.656 1.00 0.00 C ATOM 107 O ALA A 7 -5.212 12.743 -5.592 1.00 0.00 O ATOM 108 CB ALA A 7 -7.678 11.901 -3.591 1.00 0.00 C ATOM 0 H ALA A 7 -5.132 11.364 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.219 10.338 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.529 12.275 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.028 11.202 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.169 12.736 -3.109 1.00 0.00 H new ATOM 114 N ARG A 8 -7.117 12.226 -6.689 1.00 0.00 N ATOM 115 CA ARG A 8 -6.835 13.084 -7.838 1.00 0.00 C ATOM 116 C ARG A 8 -8.110 13.345 -8.647 1.00 0.00 C ATOM 117 O ARG A 8 -8.446 12.586 -9.558 1.00 0.00 O ATOM 118 CB ARG A 8 -5.760 12.444 -8.729 1.00 0.00 C ATOM 119 CG ARG A 8 -4.739 13.437 -9.262 1.00 0.00 C ATOM 120 CD ARG A 8 -3.480 13.464 -8.406 1.00 0.00 C ATOM 121 NE ARG A 8 -2.264 13.562 -9.214 1.00 0.00 N ATOM 122 CZ ARG A 8 -1.045 13.785 -8.713 1.00 0.00 C ATOM 123 NH1 ARG A 8 -0.868 13.932 -7.402 1.00 0.00 N ATOM 124 NH2 ARG A 8 0.003 13.857 -9.527 1.00 0.00 N ATOM 0 H ARG A 8 -8.000 11.720 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.462 14.040 -7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.241 11.672 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.245 11.948 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.477 13.175 -10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.181 14.433 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.527 14.310 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.438 12.561 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.352 13.453 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.667 13.875 -6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.066 14.102 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.123 13.742 -10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.934 14.027 -9.146 1.00 0.00 H new ATOM 138 N LYS A 9 -8.815 14.426 -8.305 1.00 0.00 N ATOM 139 CA LYS A 9 -10.051 14.790 -8.998 1.00 0.00 C ATOM 140 C LYS A 9 -9.747 15.407 -10.364 1.00 0.00 C ATOM 141 O LYS A 9 -10.197 14.905 -11.394 1.00 0.00 O ATOM 142 CB LYS A 9 -10.875 15.772 -8.153 1.00 0.00 C ATOM 143 CG LYS A 9 -12.374 15.504 -8.189 1.00 0.00 C ATOM 144 CD LYS A 9 -13.029 15.784 -6.843 1.00 0.00 C ATOM 145 CE LYS A 9 -12.514 14.841 -5.765 1.00 0.00 C ATOM 146 NZ LYS A 9 -13.448 14.749 -4.608 1.00 0.00 N ATOM 0 H LYS A 9 -8.551 15.063 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.632 13.880 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.531 15.725 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.688 16.786 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.837 16.126 -8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.551 14.466 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.833 16.815 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.110 15.678 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.367 13.849 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.540 15.186 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.058 14.097 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.569 15.691 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.370 14.395 -4.934 1.00 0.00 H new ATOM 160 N SER A 10 -8.976 16.499 -10.361 1.00 0.00 N ATOM 161 CA SER A 10 -8.603 17.182 -11.596 1.00 0.00 C ATOM 162 C SER A 10 -7.117 17.545 -11.587 1.00 0.00 C ATOM 163 O SER A 10 -6.680 18.366 -10.777 1.00 0.00 O ATOM 164 CB SER A 10 -9.462 18.436 -11.798 1.00 0.00 C ATOM 165 OG SER A 10 -9.984 18.486 -13.115 1.00 0.00 O ATOM 0 H SER A 10 -8.600 16.926 -9.515 1.00 0.00 H new ATOM 0 HA SER A 10 -8.783 16.503 -12.429 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.280 18.441 -11.078 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.863 19.326 -11.606 1.00 0.00 H new ATOM 0 HG SER A 10 -10.530 19.293 -13.220 1.00 0.00 H new ATOM 171 N THR A 11 -6.355 16.914 -12.489 1.00 0.00 N ATOM 172 CA THR A 11 -4.907 17.141 -12.612 1.00 0.00 C ATOM 173 C THR A 11 -4.194 17.063 -11.251 1.00 0.00 C ATOM 174 O THR A 11 -4.749 16.545 -10.279 1.00 0.00 O ATOM 175 CB THR A 11 -4.629 18.487 -13.304 1.00 0.00 C ATOM 176 OG1 THR A 11 -3.258 18.602 -13.647 1.00 0.00 O ATOM 177 CG2 THR A 11 -4.997 19.698 -12.469 1.00 0.00 C ATOM 0 H THR A 11 -6.722 16.233 -13.153 1.00 0.00 H new ATOM 0 HA THR A 11 -4.501 16.341 -13.231 1.00 0.00 H new ATOM 0 HB THR A 11 -5.264 18.481 -14.190 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.876 19.391 -13.209 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.771 20.607 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.062 19.670 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.423 19.689 -11.542 1.00 0.00 H new ATOM 185 N GLY A 12 -2.956 17.569 -11.195 1.00 0.00 N ATOM 186 CA GLY A 12 -2.187 17.537 -9.959 1.00 0.00 C ATOM 187 C GLY A 12 -1.825 18.923 -9.455 1.00 0.00 C ATOM 188 O GLY A 12 -0.975 19.598 -10.039 1.00 0.00 O ATOM 0 H GLY A 12 -2.475 17.999 -11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.761 17.015 -9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.274 16.964 -10.119 1.00 0.00 H new ATOM 192 N GLY A 13 -2.473 19.346 -8.367 1.00 0.00 N ATOM 193 CA GLY A 13 -2.206 20.658 -7.798 1.00 0.00 C ATOM 194 C GLY A 13 -1.336 20.599 -6.552 1.00 0.00 C ATOM 195 O GLY A 13 -1.838 20.381 -5.449 1.00 0.00 O ATOM 0 H GLY A 13 -3.178 18.802 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.716 21.280 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.152 21.141 -7.552 1.00 0.00 H new ATOM 199 N SER A 14 -0.029 20.805 -6.730 1.00 0.00 N ATOM 200 CA SER A 14 0.918 20.787 -5.614 1.00 0.00 C ATOM 201 C SER A 14 0.763 22.040 -4.750 1.00 0.00 C ATOM 202 O SER A 14 0.196 23.040 -5.193 1.00 0.00 O ATOM 203 CB SER A 14 2.356 20.693 -6.133 1.00 0.00 C ATOM 204 OG SER A 14 2.480 19.684 -7.121 1.00 0.00 O ATOM 0 H SER A 14 0.398 20.987 -7.638 1.00 0.00 H new ATOM 0 HA SER A 14 0.701 19.911 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.658 21.653 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.031 20.479 -5.304 1.00 0.00 H new ATOM 0 HG SER A 14 3.407 19.647 -7.436 1.00 0.00 H new ATOM 210 N SER A 15 1.268 21.984 -3.515 1.00 0.00 N ATOM 211 CA SER A 15 1.173 23.123 -2.599 1.00 0.00 C ATOM 212 C SER A 15 2.524 23.451 -1.958 1.00 0.00 C ATOM 213 O SER A 15 2.990 24.589 -2.030 1.00 0.00 O ATOM 214 CB SER A 15 0.128 22.845 -1.512 1.00 0.00 C ATOM 215 OG SER A 15 -1.015 22.201 -2.051 1.00 0.00 O ATOM 0 H SER A 15 1.743 21.169 -3.129 1.00 0.00 H new ATOM 0 HA SER A 15 0.864 23.990 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.567 22.221 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.168 23.782 -1.040 1.00 0.00 H new ATOM 0 HG SER A 15 -1.664 22.034 -1.336 1.00 0.00 H new ATOM 221 N GLY A 16 3.138 22.451 -1.322 1.00 0.00 N ATOM 222 CA GLY A 16 4.420 22.654 -0.663 1.00 0.00 C ATOM 223 C GLY A 16 5.581 22.776 -1.634 1.00 0.00 C ATOM 224 O GLY A 16 5.715 23.787 -2.328 1.00 0.00 O ATOM 0 H GLY A 16 2.769 21.503 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.369 23.556 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.608 21.822 0.015 1.00 0.00 H new ATOM 228 N SER A 17 6.431 21.751 -1.676 1.00 0.00 N ATOM 229 CA SER A 17 7.594 21.755 -2.559 1.00 0.00 C ATOM 230 C SER A 17 7.809 20.388 -3.212 1.00 0.00 C ATOM 231 O SER A 17 7.335 19.364 -2.714 1.00 0.00 O ATOM 232 CB SER A 17 8.846 22.167 -1.776 1.00 0.00 C ATOM 233 OG SER A 17 9.202 21.187 -0.816 1.00 0.00 O ATOM 0 H SER A 17 6.335 20.908 -1.109 1.00 0.00 H new ATOM 0 HA SER A 17 7.409 22.478 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.675 22.320 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.668 23.119 -1.277 1.00 0.00 H new ATOM 0 HG SER A 17 10.005 21.477 -0.334 1.00 0.00 H new ATOM 239 N SER A 18 8.530 20.387 -4.335 1.00 0.00 N ATOM 240 CA SER A 18 8.819 19.158 -5.069 1.00 0.00 C ATOM 241 C SER A 18 10.257 18.693 -4.818 1.00 0.00 C ATOM 242 O SER A 18 11.128 19.500 -4.489 1.00 0.00 O ATOM 243 CB SER A 18 8.585 19.368 -6.571 1.00 0.00 C ATOM 244 OG SER A 18 8.576 18.135 -7.267 1.00 0.00 O ATOM 0 H SER A 18 8.925 21.228 -4.756 1.00 0.00 H new ATOM 0 HA SER A 18 8.143 18.382 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.636 19.882 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.366 20.011 -6.977 1.00 0.00 H new ATOM 0 HG SER A 18 8.423 18.299 -8.221 1.00 0.00 H new ATOM 250 N GLN A 19 10.487 17.384 -4.973 1.00 0.00 N ATOM 251 CA GLN A 19 11.808 16.778 -4.764 1.00 0.00 C ATOM 252 C GLN A 19 12.166 16.741 -3.276 1.00 0.00 C ATOM 253 O GLN A 19 12.023 17.740 -2.569 1.00 0.00 O ATOM 254 CB GLN A 19 12.897 17.519 -5.555 1.00 0.00 C ATOM 255 CG GLN A 19 12.749 17.407 -7.067 1.00 0.00 C ATOM 256 CD GLN A 19 12.803 15.972 -7.563 1.00 0.00 C ATOM 257 OE1 GLN A 19 13.334 15.088 -6.888 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.253 15.731 -8.749 1.00 0.00 N ATOM 0 H GLN A 19 9.766 16.717 -5.246 1.00 0.00 H new ATOM 0 HA GLN A 19 11.757 15.754 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.881 18.572 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.872 17.127 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.802 17.854 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.540 17.982 -7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.823 16.491 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.261 14.786 -9.132 1.00 0.00 H new ATOM 267 N SER A 20 12.625 15.575 -2.810 1.00 0.00 N ATOM 268 CA SER A 20 13.000 15.388 -1.407 1.00 0.00 C ATOM 269 C SER A 20 11.798 15.616 -0.486 1.00 0.00 C ATOM 270 O SER A 20 11.698 16.646 0.184 1.00 0.00 O ATOM 271 CB SER A 20 14.150 16.331 -1.029 1.00 0.00 C ATOM 272 OG SER A 20 14.700 15.991 0.237 1.00 0.00 O ATOM 0 H SER A 20 12.746 14.743 -3.388 1.00 0.00 H new ATOM 0 HA SER A 20 13.337 14.359 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.928 16.283 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.788 17.359 -1.007 1.00 0.00 H new ATOM 0 HG SER A 20 15.431 16.607 0.452 1.00 0.00 H new ATOM 278 N LEU A 21 10.886 14.645 -0.465 1.00 0.00 N ATOM 279 CA LEU A 21 9.687 14.731 0.363 1.00 0.00 C ATOM 280 C LEU A 21 9.762 13.759 1.539 1.00 0.00 C ATOM 281 O LEU A 21 10.353 12.685 1.433 1.00 0.00 O ATOM 282 CB LEU A 21 8.445 14.435 -0.478 1.00 0.00 C ATOM 283 CG LEU A 21 7.137 14.998 0.080 1.00 0.00 C ATOM 284 CD1 LEU A 21 6.994 16.471 -0.273 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.952 14.200 -0.444 1.00 0.00 C ATOM 0 H LEU A 21 10.956 13.788 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 21 9.621 15.744 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.598 14.838 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.343 13.355 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 21 7.157 14.911 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.057 16.853 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.828 17.030 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.994 16.587 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.028 14.612 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.928 14.257 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.050 13.159 -0.137 1.00 0.00 H new ATOM 297 N ILE A 22 9.150 14.145 2.659 1.00 0.00 N ATOM 298 CA ILE A 22 9.136 13.313 3.860 1.00 0.00 C ATOM 299 C ILE A 22 8.180 12.125 3.698 1.00 0.00 C ATOM 300 O ILE A 22 8.442 11.035 4.210 1.00 0.00 O ATOM 301 CB ILE A 22 8.729 14.130 5.111 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.568 15.410 5.218 1.00 0.00 C ATOM 303 CG2 ILE A 22 8.877 13.290 6.373 1.00 0.00 C ATOM 304 CD1 ILE A 22 8.769 16.627 5.637 1.00 0.00 C ATOM 0 H ILE A 22 8.656 15.032 2.758 1.00 0.00 H new ATOM 0 HA ILE A 22 10.151 12.940 3.999 1.00 0.00 H new ATOM 0 HB ILE A 22 7.681 14.413 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.371 15.248 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.037 15.608 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.586 13.882 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.236 12.411 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.915 12.975 6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.428 17.494 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.982 16.815 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.322 16.449 6.615 1.00 0.00 H new ATOM 316 N ASP A 23 7.070 12.346 2.984 1.00 0.00 N ATOM 317 CA ASP A 23 6.076 11.297 2.755 1.00 0.00 C ATOM 318 C ASP A 23 6.329 10.585 1.424 1.00 0.00 C ATOM 319 O ASP A 23 5.845 11.017 0.376 1.00 0.00 O ATOM 320 CB ASP A 23 4.661 11.893 2.777 1.00 0.00 C ATOM 321 CG ASP A 23 3.762 11.230 3.806 1.00 0.00 C ATOM 322 OD1 ASP A 23 3.714 9.982 3.841 1.00 0.00 O ATOM 323 OD2 ASP A 23 3.102 11.960 4.574 1.00 0.00 O ATOM 0 H ASP A 23 6.840 13.243 2.556 1.00 0.00 H new ATOM 0 HA ASP A 23 6.164 10.563 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.724 12.960 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.213 11.791 1.789 1.00 0.00 H new ATOM 328 N GLU A 24 7.095 9.496 1.476 1.00 0.00 N ATOM 329 CA GLU A 24 7.419 8.728 0.275 1.00 0.00 C ATOM 330 C GLU A 24 6.290 7.764 -0.088 1.00 0.00 C ATOM 331 O GLU A 24 6.044 6.787 0.622 1.00 0.00 O ATOM 332 CB GLU A 24 8.719 7.946 0.481 1.00 0.00 C ATOM 333 CG GLU A 24 9.973 8.793 0.322 1.00 0.00 C ATOM 334 CD GLU A 24 11.145 8.266 1.128 1.00 0.00 C ATOM 335 OE1 GLU A 24 11.320 7.030 1.191 1.00 0.00 O ATOM 336 OE2 GLU A 24 11.891 9.091 1.696 1.00 0.00 O ATOM 0 H GLU A 24 7.502 9.126 2.335 1.00 0.00 H new ATOM 0 HA GLU A 24 7.546 9.433 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.713 7.505 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.754 7.123 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.250 8.830 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.757 9.816 0.630 1.00 0.00 H new ATOM 343 N ASP A 25 5.604 8.049 -1.194 1.00 0.00 N ATOM 344 CA ASP A 25 4.494 7.210 -1.655 1.00 0.00 C ATOM 345 C ASP A 25 5.001 5.891 -2.242 1.00 0.00 C ATOM 346 O ASP A 25 5.947 5.871 -3.030 1.00 0.00 O ATOM 347 CB ASP A 25 3.664 7.959 -2.697 1.00 0.00 C ATOM 348 CG ASP A 25 2.945 9.155 -2.107 1.00 0.00 C ATOM 349 OD1 ASP A 25 3.630 10.095 -1.652 1.00 0.00 O ATOM 350 OD2 ASP A 25 1.698 9.145 -2.081 1.00 0.00 O ATOM 0 H ASP A 25 5.796 8.855 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 25 3.868 6.980 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.315 8.292 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.934 7.278 -3.135 1.00 0.00 H new ATOM 355 N ALA A 26 4.353 4.791 -1.850 1.00 0.00 N ATOM 356 CA ALA A 26 4.721 3.457 -2.330 1.00 0.00 C ATOM 357 C ALA A 26 4.322 3.266 -3.794 1.00 0.00 C ATOM 358 O ALA A 26 3.540 4.048 -4.341 1.00 0.00 O ATOM 359 CB ALA A 26 4.075 2.387 -1.460 1.00 0.00 C ATOM 0 H ALA A 26 3.568 4.799 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 26 5.805 3.361 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.357 1.400 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.415 2.501 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.991 2.493 -1.498 1.00 0.00 H new ATOM 365 N VAL A 27 4.865 2.225 -4.426 1.00 0.00 N ATOM 366 CA VAL A 27 4.567 1.934 -5.828 1.00 0.00 C ATOM 367 C VAL A 27 3.977 0.533 -5.995 1.00 0.00 C ATOM 368 O VAL A 27 4.645 -0.470 -5.737 1.00 0.00 O ATOM 369 CB VAL A 27 5.826 2.073 -6.715 1.00 0.00 C ATOM 370 CG1 VAL A 27 6.301 3.520 -6.747 1.00 0.00 C ATOM 371 CG2 VAL A 27 6.941 1.152 -6.235 1.00 0.00 C ATOM 0 H VAL A 27 5.513 1.570 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 27 3.828 2.667 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 27 5.558 1.774 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.188 3.598 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.512 4.153 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.544 3.846 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.813 1.271 -6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.208 1.408 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.600 0.117 -6.274 1.00 0.00 H new ATOM 381 N CYS A 28 2.715 0.475 -6.421 1.00 0.00 N ATOM 382 CA CYS A 28 2.022 -0.794 -6.616 1.00 0.00 C ATOM 383 C CYS A 28 2.702 -1.654 -7.682 1.00 0.00 C ATOM 384 O CYS A 28 3.315 -1.138 -8.620 1.00 0.00 O ATOM 385 CB CYS A 28 0.562 -0.541 -6.993 1.00 0.00 C ATOM 386 SG CYS A 28 -0.360 -2.048 -7.436 1.00 0.00 S ATOM 0 H CYS A 28 2.152 1.297 -6.638 1.00 0.00 H new ATOM 0 HA CYS A 28 2.063 -1.343 -5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.061 -0.053 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.529 0.153 -7.833 1.00 0.00 H new ATOM 391 N SER A 29 2.588 -2.974 -7.525 1.00 0.00 N ATOM 392 CA SER A 29 3.184 -3.928 -8.459 1.00 0.00 C ATOM 393 C SER A 29 2.143 -4.501 -9.423 1.00 0.00 C ATOM 394 O SER A 29 2.458 -4.785 -10.580 1.00 0.00 O ATOM 395 CB SER A 29 3.858 -5.068 -7.692 1.00 0.00 C ATOM 396 OG SER A 29 5.215 -4.765 -7.411 1.00 0.00 O ATOM 0 H SER A 29 2.083 -3.409 -6.752 1.00 0.00 H new ATOM 0 HA SER A 29 3.929 -3.391 -9.046 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.323 -5.249 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.801 -5.986 -8.276 1.00 0.00 H new ATOM 0 HG SER A 29 5.621 -5.509 -6.919 1.00 0.00 H new ATOM 402 N ILE A 30 0.904 -4.673 -8.948 1.00 0.00 N ATOM 403 CA ILE A 30 -0.166 -5.213 -9.784 1.00 0.00 C ATOM 404 C ILE A 30 -0.555 -4.231 -10.893 1.00 0.00 C ATOM 405 O ILE A 30 -1.037 -4.640 -11.950 1.00 0.00 O ATOM 406 CB ILE A 30 -1.422 -5.558 -8.941 1.00 0.00 C ATOM 407 CG1 ILE A 30 -1.187 -6.836 -8.129 1.00 0.00 C ATOM 408 CG2 ILE A 30 -2.651 -5.714 -9.834 1.00 0.00 C ATOM 409 CD1 ILE A 30 -0.933 -6.585 -6.657 1.00 0.00 C ATOM 0 H ILE A 30 0.622 -4.447 -7.994 1.00 0.00 H new ATOM 0 HA ILE A 30 0.218 -6.127 -10.238 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.604 -4.734 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.055 -7.487 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.336 -7.371 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.519 -5.956 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.833 -4.782 -10.368 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.480 -6.516 -10.552 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.776 -7.536 -6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.047 -5.961 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.793 -6.078 -6.221 1.00 0.00 H new ATOM 421 N CYS A 31 -0.357 -2.935 -10.641 1.00 0.00 N ATOM 422 CA CYS A 31 -0.705 -1.904 -11.610 1.00 0.00 C ATOM 423 C CYS A 31 0.279 -0.735 -11.561 1.00 0.00 C ATOM 424 O CYS A 31 0.967 -0.533 -10.556 1.00 0.00 O ATOM 425 CB CYS A 31 -2.131 -1.416 -11.337 1.00 0.00 C ATOM 426 SG CYS A 31 -2.247 -0.118 -10.062 1.00 0.00 S ATOM 0 H CYS A 31 0.043 -2.579 -9.773 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.650 -2.333 -12.610 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.557 -1.036 -12.266 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.741 -2.266 -11.031 1.00 0.00 H new ATOM 431 N MET A 32 0.337 0.034 -12.651 1.00 0.00 N ATOM 432 CA MET A 32 1.231 1.191 -12.736 1.00 0.00 C ATOM 433 C MET A 32 0.425 2.493 -12.768 1.00 0.00 C ATOM 434 O MET A 32 0.784 3.437 -13.476 1.00 0.00 O ATOM 435 CB MET A 32 2.117 1.096 -13.989 1.00 0.00 C ATOM 436 CG MET A 32 3.055 -0.102 -13.997 1.00 0.00 C ATOM 437 SD MET A 32 2.955 -1.052 -15.529 1.00 0.00 S ATOM 438 CE MET A 32 4.686 -1.171 -15.980 1.00 0.00 C ATOM 0 H MET A 32 -0.225 -0.124 -13.487 1.00 0.00 H new ATOM 0 HA MET A 32 1.868 1.193 -11.852 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.477 1.049 -14.870 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.709 2.008 -14.073 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.079 0.242 -13.854 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.816 -0.751 -13.155 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.782 -1.733 -16.909 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.096 -0.170 -16.117 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.234 -1.682 -15.188 1.00 0.00 H new ATOM 448 N ASP A 33 -0.670 2.530 -12.002 1.00 0.00 N ATOM 449 CA ASP A 33 -1.543 3.707 -11.939 1.00 0.00 C ATOM 450 C ASP A 33 -2.064 4.093 -13.328 1.00 0.00 C ATOM 451 O ASP A 33 -2.336 5.266 -13.595 1.00 0.00 O ATOM 452 CB ASP A 33 -0.806 4.893 -11.305 1.00 0.00 C ATOM 453 CG ASP A 33 -1.440 5.336 -9.999 1.00 0.00 C ATOM 454 OD1 ASP A 33 -2.519 5.965 -10.045 1.00 0.00 O ATOM 455 OD2 ASP A 33 -0.859 5.052 -8.932 1.00 0.00 O ATOM 0 H ASP A 33 -0.974 1.754 -11.414 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.399 3.448 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.234 4.618 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.799 5.729 -12.004 1.00 0.00 H new ATOM 460 N GLY A 34 -2.207 3.101 -14.208 1.00 0.00 N ATOM 461 CA GLY A 34 -2.699 3.362 -15.550 1.00 0.00 C ATOM 462 C GLY A 34 -4.215 3.457 -15.613 1.00 0.00 C ATOM 463 O GLY A 34 -4.759 4.139 -16.483 1.00 0.00 O ATOM 0 H GLY A 34 -1.991 2.123 -14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.266 4.293 -15.916 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.361 2.569 -16.217 1.00 0.00 H new ATOM 467 N GLU A 35 -4.898 2.770 -14.693 1.00 0.00 N ATOM 468 CA GLU A 35 -6.363 2.778 -14.649 1.00 0.00 C ATOM 469 C GLU A 35 -6.916 4.200 -14.526 1.00 0.00 C ATOM 470 O GLU A 35 -7.954 4.515 -15.107 1.00 0.00 O ATOM 471 CB GLU A 35 -6.870 1.917 -13.487 1.00 0.00 C ATOM 472 CG GLU A 35 -6.353 2.357 -12.123 1.00 0.00 C ATOM 473 CD GLU A 35 -6.459 1.268 -11.070 1.00 0.00 C ATOM 474 OE1 GLU A 35 -7.482 0.550 -11.053 1.00 0.00 O ATOM 475 OE2 GLU A 35 -5.515 1.133 -10.265 1.00 0.00 O ATOM 0 H GLU A 35 -4.460 2.201 -13.969 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.720 2.358 -15.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.960 1.942 -13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.576 0.882 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.311 2.664 -12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.914 3.231 -11.792 1.00 0.00 H new ATOM 482 N SER A 36 -6.215 5.052 -13.771 1.00 0.00 N ATOM 483 CA SER A 36 -6.631 6.440 -13.574 1.00 0.00 C ATOM 484 C SER A 36 -7.991 6.517 -12.876 1.00 0.00 C ATOM 485 O SER A 36 -9.033 6.607 -13.532 1.00 0.00 O ATOM 486 CB SER A 36 -6.681 7.175 -14.920 1.00 0.00 C ATOM 487 OG SER A 36 -6.983 8.549 -14.743 1.00 0.00 O ATOM 0 H SER A 36 -5.354 4.801 -13.285 1.00 0.00 H new ATOM 0 HA SER A 36 -5.896 6.925 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.722 7.073 -15.429 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.433 6.714 -15.561 1.00 0.00 H new ATOM 0 HG SER A 36 -7.007 8.994 -15.616 1.00 0.00 H new ATOM 493 N GLN A 37 -7.973 6.481 -11.544 1.00 0.00 N ATOM 494 CA GLN A 37 -9.203 6.548 -10.753 1.00 0.00 C ATOM 495 C GLN A 37 -9.197 7.773 -9.835 1.00 0.00 C ATOM 496 O GLN A 37 -8.228 8.532 -9.804 1.00 0.00 O ATOM 497 CB GLN A 37 -9.379 5.265 -9.932 1.00 0.00 C ATOM 498 CG GLN A 37 -8.124 4.843 -9.181 1.00 0.00 C ATOM 499 CD GLN A 37 -8.328 3.579 -8.370 1.00 0.00 C ATOM 500 OE1 GLN A 37 -7.981 2.485 -8.810 1.00 0.00 O ATOM 501 NE2 GLN A 37 -8.888 3.721 -7.175 1.00 0.00 N ATOM 0 H GLN A 37 -7.120 6.406 -10.989 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.045 6.643 -11.439 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.188 5.410 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.683 4.457 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.314 4.687 -9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.813 5.650 -8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.162 4.647 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.045 2.904 -6.585 1.00 0.00 H new ATOM 510 N ASN A 38 -10.291 7.962 -9.095 1.00 0.00 N ATOM 511 CA ASN A 38 -10.417 9.101 -8.183 1.00 0.00 C ATOM 512 C ASN A 38 -9.454 8.984 -6.999 1.00 0.00 C ATOM 513 O ASN A 38 -8.682 9.906 -6.730 1.00 0.00 O ATOM 514 CB ASN A 38 -11.859 9.224 -7.681 1.00 0.00 C ATOM 515 CG ASN A 38 -12.350 10.662 -7.667 1.00 0.00 C ATOM 516 OD1 ASN A 38 -12.748 11.181 -6.624 1.00 0.00 O ATOM 517 ND2 ASN A 38 -12.326 11.314 -8.825 1.00 0.00 N ATOM 0 H ASN A 38 -11.101 7.343 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.154 10.001 -8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -12.513 8.626 -8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.926 8.811 -6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.645 12.282 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.988 10.847 -9.666 1.00 0.00 H new ATOM 524 N SER A 39 -9.505 7.852 -6.289 1.00 0.00 N ATOM 525 CA SER A 39 -8.637 7.627 -5.132 1.00 0.00 C ATOM 526 C SER A 39 -8.440 6.131 -4.869 1.00 0.00 C ATOM 527 O SER A 39 -9.394 5.352 -4.933 1.00 0.00 O ATOM 528 CB SER A 39 -9.221 8.308 -3.888 1.00 0.00 C ATOM 529 OG SER A 39 -8.445 8.029 -2.734 1.00 0.00 O ATOM 0 H SER A 39 -10.138 7.079 -6.496 1.00 0.00 H new ATOM 0 HA SER A 39 -7.663 8.064 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.264 9.385 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.245 7.967 -3.731 1.00 0.00 H new ATOM 0 HG SER A 39 -8.784 7.218 -2.300 1.00 0.00 H new ATOM 535 N ASN A 40 -7.196 5.743 -4.578 1.00 0.00 N ATOM 536 CA ASN A 40 -6.861 4.339 -4.312 1.00 0.00 C ATOM 537 C ASN A 40 -6.201 4.171 -2.942 1.00 0.00 C ATOM 538 O ASN A 40 -5.911 5.155 -2.258 1.00 0.00 O ATOM 539 CB ASN A 40 -5.928 3.802 -5.407 1.00 0.00 C ATOM 540 CG ASN A 40 -4.760 4.731 -5.685 1.00 0.00 C ATOM 541 OD1 ASN A 40 -4.755 5.455 -6.681 1.00 0.00 O ATOM 542 ND2 ASN A 40 -3.764 4.723 -4.805 1.00 0.00 N ATOM 0 H ASN A 40 -6.402 6.381 -4.520 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.790 3.769 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.548 2.825 -5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.497 3.655 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.957 5.332 -4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.806 4.108 -3.992 1.00 0.00 H new ATOM 549 N VAL A 41 -5.957 2.916 -2.549 1.00 0.00 N ATOM 550 CA VAL A 41 -5.322 2.618 -1.264 1.00 0.00 C ATOM 551 C VAL A 41 -4.182 1.609 -1.427 1.00 0.00 C ATOM 552 O VAL A 41 -4.421 0.413 -1.608 1.00 0.00 O ATOM 553 CB VAL A 41 -6.335 2.074 -0.228 1.00 0.00 C ATOM 554 CG1 VAL A 41 -7.285 3.173 0.224 1.00 0.00 C ATOM 555 CG2 VAL A 41 -7.108 0.887 -0.786 1.00 0.00 C ATOM 0 H VAL A 41 -6.190 2.092 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.920 3.562 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.774 1.728 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.989 2.769 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.715 3.982 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.833 3.557 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.812 0.526 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.654 1.195 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.412 0.089 -1.044 1.00 0.00 H new ATOM 565 N ILE A 42 -2.944 2.098 -1.353 1.00 0.00 N ATOM 566 CA ILE A 42 -1.770 1.238 -1.484 1.00 0.00 C ATOM 567 C ILE A 42 -1.379 0.651 -0.126 1.00 0.00 C ATOM 568 O ILE A 42 -1.613 1.268 0.914 1.00 0.00 O ATOM 569 CB ILE A 42 -0.568 2.002 -2.095 1.00 0.00 C ATOM 570 CG1 ILE A 42 0.488 1.021 -2.618 1.00 0.00 C ATOM 571 CG2 ILE A 42 0.045 2.960 -1.082 1.00 0.00 C ATOM 572 CD1 ILE A 42 0.835 1.231 -4.075 1.00 0.00 C ATOM 0 H ILE A 42 -2.729 3.084 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.035 0.426 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.937 2.591 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.393 1.120 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.125 0.002 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.886 3.482 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.705 3.685 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.393 2.399 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.588 0.503 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.060 1.103 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.228 2.238 -4.214 1.00 0.00 H new ATOM 584 N LEU A 43 -0.791 -0.545 -0.140 1.00 0.00 N ATOM 585 CA LEU A 43 -0.383 -1.212 1.092 1.00 0.00 C ATOM 586 C LEU A 43 1.101 -1.542 1.072 1.00 0.00 C ATOM 587 O LEU A 43 1.602 -2.111 0.104 1.00 0.00 O ATOM 588 CB LEU A 43 -1.194 -2.491 1.298 1.00 0.00 C ATOM 589 CG LEU A 43 -2.699 -2.281 1.442 1.00 0.00 C ATOM 590 CD1 LEU A 43 -3.435 -3.607 1.348 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.014 -1.587 2.757 1.00 0.00 C ATOM 0 H LEU A 43 -0.588 -1.070 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.573 -0.529 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.014 -3.158 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.826 -2.998 2.190 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.038 -1.643 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.506 -3.437 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.234 -4.067 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.093 -4.270 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.091 -1.445 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.661 -2.200 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.516 -0.618 2.785 1.00 0.00 H new ATOM 603 N PHE A 44 1.791 -1.190 2.151 1.00 0.00 N ATOM 604 CA PHE A 44 3.222 -1.452 2.269 1.00 0.00 C ATOM 605 C PHE A 44 3.494 -2.441 3.396 1.00 0.00 C ATOM 606 O PHE A 44 2.958 -2.290 4.497 1.00 0.00 O ATOM 607 CB PHE A 44 3.972 -0.142 2.529 1.00 0.00 C ATOM 608 CG PHE A 44 5.234 0.005 1.728 1.00 0.00 C ATOM 609 CD1 PHE A 44 5.243 -0.267 0.371 1.00 0.00 C ATOM 610 CD2 PHE A 44 6.410 0.417 2.334 1.00 0.00 C ATOM 611 CE1 PHE A 44 6.403 -0.131 -0.368 1.00 0.00 C ATOM 612 CE2 PHE A 44 7.572 0.556 1.600 1.00 0.00 C ATOM 613 CZ PHE A 44 7.569 0.281 0.247 1.00 0.00 C ATOM 0 H PHE A 44 1.382 -0.721 2.959 1.00 0.00 H new ATOM 0 HA PHE A 44 3.574 -1.887 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.311 0.695 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.217 -0.079 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.334 -0.589 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.418 0.632 3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.398 -0.347 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.482 0.879 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.476 0.388 -0.329 1.00 0.00 H new ATOM 623 N CYS A 45 4.321 -3.455 3.129 1.00 0.00 N ATOM 624 CA CYS A 45 4.632 -4.450 4.155 1.00 0.00 C ATOM 625 C CYS A 45 5.372 -3.811 5.331 1.00 0.00 C ATOM 626 O CYS A 45 6.114 -2.843 5.157 1.00 0.00 O ATOM 627 CB CYS A 45 5.449 -5.608 3.580 1.00 0.00 C ATOM 628 SG CYS A 45 5.381 -7.103 4.616 1.00 0.00 S ATOM 0 H CYS A 45 4.778 -3.607 2.230 1.00 0.00 H new ATOM 0 HA CYS A 45 3.685 -4.851 4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.081 -5.846 2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.487 -5.295 3.470 1.00 0.00 H new ATOM 633 N ASP A 46 5.153 -4.354 6.530 1.00 0.00 N ATOM 634 CA ASP A 46 5.783 -3.829 7.742 1.00 0.00 C ATOM 635 C ASP A 46 7.223 -4.325 7.916 1.00 0.00 C ATOM 636 O ASP A 46 7.989 -3.745 8.687 1.00 0.00 O ATOM 637 CB ASP A 46 4.944 -4.188 8.972 1.00 0.00 C ATOM 638 CG ASP A 46 4.118 -3.016 9.481 1.00 0.00 C ATOM 639 OD1 ASP A 46 3.750 -2.139 8.667 1.00 0.00 O ATOM 640 OD2 ASP A 46 3.835 -2.978 10.696 1.00 0.00 O ATOM 0 H ASP A 46 4.544 -5.157 6.687 1.00 0.00 H new ATOM 0 HA ASP A 46 5.829 -2.745 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.279 -5.016 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.603 -4.536 9.768 1.00 0.00 H new ATOM 645 N MET A 47 7.602 -5.376 7.184 1.00 0.00 N ATOM 646 CA MET A 47 8.958 -5.907 7.256 1.00 0.00 C ATOM 647 C MET A 47 9.518 -6.078 5.846 1.00 0.00 C ATOM 648 O MET A 47 10.538 -6.743 5.644 1.00 0.00 O ATOM 649 CB MET A 47 8.966 -7.247 8.000 1.00 0.00 C ATOM 650 CG MET A 47 10.345 -7.668 8.485 1.00 0.00 C ATOM 651 SD MET A 47 10.285 -9.088 9.595 1.00 0.00 S ATOM 652 CE MET A 47 10.605 -8.307 11.177 1.00 0.00 C ATOM 0 H MET A 47 6.988 -5.872 6.538 1.00 0.00 H new ATOM 0 HA MET A 47 9.587 -5.206 7.805 1.00 0.00 H new ATOM 0 HB2 MET A 47 8.294 -7.182 8.856 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.570 -8.020 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.970 -7.909 7.626 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.817 -6.830 8.998 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.599 -9.062 11.963 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.579 -7.818 11.151 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.832 -7.566 11.380 1.00 0.00 H new ATOM 662 N CYS A 48 8.826 -5.485 4.867 1.00 0.00 N ATOM 663 CA CYS A 48 9.220 -5.586 3.479 1.00 0.00 C ATOM 664 C CYS A 48 8.813 -4.336 2.694 1.00 0.00 C ATOM 665 O CYS A 48 8.335 -3.354 3.266 1.00 0.00 O ATOM 666 CB CYS A 48 8.554 -6.815 2.866 1.00 0.00 C ATOM 667 SG CYS A 48 8.788 -8.356 3.805 1.00 0.00 S ATOM 0 H CYS A 48 7.986 -4.929 5.024 1.00 0.00 H new ATOM 0 HA CYS A 48 10.305 -5.676 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.485 -6.623 2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.943 -6.957 1.858 1.00 0.00 H new ATOM 672 N ASN A 49 8.998 -4.396 1.376 1.00 0.00 N ATOM 673 CA ASN A 49 8.648 -3.297 0.483 1.00 0.00 C ATOM 674 C ASN A 49 7.452 -3.662 -0.407 1.00 0.00 C ATOM 675 O ASN A 49 7.174 -2.965 -1.386 1.00 0.00 O ATOM 676 CB ASN A 49 9.853 -2.912 -0.383 1.00 0.00 C ATOM 677 CG ASN A 49 10.350 -4.056 -1.259 1.00 0.00 C ATOM 678 OD1 ASN A 49 10.130 -5.232 -0.956 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.027 -3.719 -2.351 1.00 0.00 N ATOM 0 H ASN A 49 9.394 -5.207 0.900 1.00 0.00 H new ATOM 0 HA ASN A 49 8.363 -2.443 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.582 -2.068 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.665 -2.578 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.385 -4.444 -2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.189 -2.735 -2.568 1.00 0.00 H new ATOM 686 N LEU A 50 6.752 -4.755 -0.072 1.00 0.00 N ATOM 687 CA LEU A 50 5.598 -5.197 -0.855 1.00 0.00 C ATOM 688 C LEU A 50 4.538 -4.104 -0.911 1.00 0.00 C ATOM 689 O LEU A 50 3.732 -3.956 0.008 1.00 0.00 O ATOM 690 CB LEU A 50 5.002 -6.484 -0.270 1.00 0.00 C ATOM 691 CG LEU A 50 3.748 -6.999 -0.985 1.00 0.00 C ATOM 692 CD1 LEU A 50 4.122 -7.747 -2.256 1.00 0.00 C ATOM 693 CD2 LEU A 50 2.935 -7.890 -0.058 1.00 0.00 C ATOM 0 H LEU A 50 6.966 -5.344 0.733 1.00 0.00 H new ATOM 0 HA LEU A 50 5.939 -5.405 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.763 -7.264 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.759 -6.311 0.778 1.00 0.00 H new ATOM 0 HG LEU A 50 3.135 -6.141 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.217 -8.104 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.660 -7.078 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.757 -8.596 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.048 -8.247 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.541 -8.742 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.633 -7.321 0.821 1.00 0.00 H new ATOM 705 N ALA A 51 4.557 -3.334 -1.997 1.00 0.00 N ATOM 706 CA ALA A 51 3.607 -2.250 -2.181 1.00 0.00 C ATOM 707 C ALA A 51 2.533 -2.637 -3.189 1.00 0.00 C ATOM 708 O ALA A 51 2.787 -2.655 -4.392 1.00 0.00 O ATOM 709 CB ALA A 51 4.324 -0.986 -2.640 1.00 0.00 C ATOM 0 H ALA A 51 5.223 -3.445 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 51 3.127 -2.054 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.598 -0.184 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.057 -0.691 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.830 -1.178 -3.586 1.00 0.00 H new ATOM 715 N VAL A 52 1.338 -2.957 -2.695 1.00 0.00 N ATOM 716 CA VAL A 52 0.230 -3.343 -3.567 1.00 0.00 C ATOM 717 C VAL A 52 -1.104 -2.870 -2.998 1.00 0.00 C ATOM 718 O VAL A 52 -1.379 -3.059 -1.812 1.00 0.00 O ATOM 719 CB VAL A 52 0.174 -4.876 -3.773 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.363 -5.355 -4.596 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.121 -5.606 -2.436 1.00 0.00 C ATOM 0 H VAL A 52 1.113 -2.957 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 52 0.406 -2.864 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.739 -5.106 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.303 -6.435 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.350 -4.869 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.289 -5.104 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.082 -6.681 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.010 -5.364 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.768 -5.295 -1.887 1.00 0.00 H new ATOM 731 N HIS A 53 -1.944 -2.271 -3.844 1.00 0.00 N ATOM 732 CA HIS A 53 -3.258 -1.805 -3.395 1.00 0.00 C ATOM 733 C HIS A 53 -4.076 -2.981 -2.864 1.00 0.00 C ATOM 734 O HIS A 53 -3.986 -4.091 -3.394 1.00 0.00 O ATOM 735 CB HIS A 53 -4.034 -1.129 -4.531 1.00 0.00 C ATOM 736 CG HIS A 53 -3.326 0.022 -5.174 1.00 0.00 C ATOM 737 ND1 HIS A 53 -2.783 -0.087 -6.429 1.00 0.00 N ATOM 738 CD2 HIS A 53 -3.118 1.278 -4.711 1.00 0.00 C ATOM 739 CE1 HIS A 53 -2.260 1.095 -6.705 1.00 0.00 C ATOM 740 NE2 HIS A 53 -2.439 1.956 -5.693 1.00 0.00 N ATOM 0 H HIS A 53 -1.743 -2.099 -4.829 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.095 -1.074 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.255 -1.874 -5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.990 -0.778 -4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.427 1.671 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.753 1.336 -7.628 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.130 2.928 -5.659 1.00 0.00 H new ATOM 748 N GLN A 54 -4.885 -2.741 -1.832 1.00 0.00 N ATOM 749 CA GLN A 54 -5.723 -3.798 -1.259 1.00 0.00 C ATOM 750 C GLN A 54 -6.746 -4.310 -2.282 1.00 0.00 C ATOM 751 O GLN A 54 -7.267 -5.418 -2.144 1.00 0.00 O ATOM 752 CB GLN A 54 -6.440 -3.308 0.005 1.00 0.00 C ATOM 753 CG GLN A 54 -7.503 -2.247 -0.253 1.00 0.00 C ATOM 754 CD GLN A 54 -8.916 -2.795 -0.158 1.00 0.00 C ATOM 755 OE1 GLN A 54 -9.704 -2.675 -1.096 1.00 0.00 O ATOM 756 NE2 GLN A 54 -9.247 -3.397 0.980 1.00 0.00 N ATOM 0 H GLN A 54 -4.979 -1.833 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.066 -4.624 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.906 -4.161 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.700 -2.905 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.383 -1.437 0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.350 -1.819 -1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.564 -3.475 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.184 -3.781 1.100 1.00 0.00 H new ATOM 765 N GLU A 55 -7.003 -3.508 -3.320 1.00 0.00 N ATOM 766 CA GLU A 55 -7.932 -3.882 -4.383 1.00 0.00 C ATOM 767 C GLU A 55 -7.179 -4.624 -5.481 1.00 0.00 C ATOM 768 O GLU A 55 -7.740 -5.460 -6.191 1.00 0.00 O ATOM 769 CB GLU A 55 -8.632 -2.641 -4.955 1.00 0.00 C ATOM 770 CG GLU A 55 -7.678 -1.533 -5.405 1.00 0.00 C ATOM 771 CD GLU A 55 -7.820 -0.244 -4.608 1.00 0.00 C ATOM 772 OE1 GLU A 55 -8.955 0.090 -4.204 1.00 0.00 O ATOM 773 OE2 GLU A 55 -6.796 0.436 -4.391 1.00 0.00 O ATOM 0 H GLU A 55 -6.576 -2.590 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.698 -4.538 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.246 -2.943 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.308 -2.239 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.652 -1.892 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.854 -1.320 -6.459 1.00 0.00 H new ATOM 780 N CYS A 56 -5.892 -4.302 -5.595 1.00 0.00 N ATOM 781 CA CYS A 56 -5.015 -4.906 -6.573 1.00 0.00 C ATOM 782 C CYS A 56 -4.591 -6.300 -6.119 1.00 0.00 C ATOM 783 O CYS A 56 -4.485 -7.223 -6.925 1.00 0.00 O ATOM 784 CB CYS A 56 -3.789 -4.014 -6.754 1.00 0.00 C ATOM 785 SG CYS A 56 -3.703 -3.178 -8.367 1.00 0.00 S ATOM 0 H CYS A 56 -5.434 -3.609 -5.003 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.541 -5.004 -7.522 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.783 -3.260 -5.967 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.892 -4.619 -6.623 1.00 0.00 H new ATOM 790 N TYR A 57 -4.353 -6.438 -4.817 1.00 0.00 N ATOM 791 CA TYR A 57 -3.945 -7.712 -4.244 1.00 0.00 C ATOM 792 C TYR A 57 -5.148 -8.619 -3.974 1.00 0.00 C ATOM 793 O TYR A 57 -5.042 -9.844 -4.060 1.00 0.00 O ATOM 794 CB TYR A 57 -3.164 -7.478 -2.948 1.00 0.00 C ATOM 795 CG TYR A 57 -2.426 -8.702 -2.452 1.00 0.00 C ATOM 796 CD1 TYR A 57 -1.136 -8.979 -2.887 1.00 0.00 C ATOM 797 CD2 TYR A 57 -3.019 -9.579 -1.554 1.00 0.00 C ATOM 798 CE1 TYR A 57 -0.458 -10.096 -2.440 1.00 0.00 C ATOM 799 CE2 TYR A 57 -2.347 -10.697 -1.101 1.00 0.00 C ATOM 800 CZ TYR A 57 -1.068 -10.951 -1.546 1.00 0.00 C ATOM 801 OH TYR A 57 -0.394 -12.062 -1.095 1.00 0.00 O ATOM 0 H TYR A 57 -4.437 -5.680 -4.140 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.304 -8.214 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.447 -6.672 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.854 -7.143 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.656 -8.310 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.022 -9.384 -1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.544 -10.299 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.822 -11.369 -0.401 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.963 -12.559 -0.470 1.00 0.00 H new ATOM 811 N GLY A 58 -6.287 -8.011 -3.637 1.00 0.00 N ATOM 812 CA GLY A 58 -7.486 -8.779 -3.347 1.00 0.00 C ATOM 813 C GLY A 58 -7.663 -9.032 -1.859 1.00 0.00 C ATOM 814 O GLY A 58 -8.148 -10.092 -1.457 1.00 0.00 O ATOM 0 H GLY A 58 -6.398 -7.000 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.357 -8.247 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.440 -9.733 -3.873 1.00 0.00 H new ATOM 818 N VAL A 59 -7.269 -8.055 -1.040 1.00 0.00 N ATOM 819 CA VAL A 59 -7.382 -8.173 0.410 1.00 0.00 C ATOM 820 C VAL A 59 -8.836 -8.011 0.854 1.00 0.00 C ATOM 821 O VAL A 59 -9.440 -6.959 0.644 1.00 0.00 O ATOM 822 CB VAL A 59 -6.511 -7.122 1.133 1.00 0.00 C ATOM 823 CG1 VAL A 59 -6.527 -7.356 2.637 1.00 0.00 C ATOM 824 CG2 VAL A 59 -5.086 -7.141 0.598 1.00 0.00 C ATOM 0 H VAL A 59 -6.869 -7.173 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.027 -9.168 0.680 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.932 -6.136 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.908 -6.606 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.550 -7.281 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.135 -8.349 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.491 -6.393 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.651 -8.128 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.095 -6.916 -0.469 1.00 0.00 H new ATOM 834 N PRO A 60 -9.419 -9.060 1.469 1.00 0.00 N ATOM 835 CA PRO A 60 -10.813 -9.027 1.934 1.00 0.00 C ATOM 836 C PRO A 60 -11.030 -8.053 3.094 1.00 0.00 C ATOM 837 O PRO A 60 -12.024 -7.328 3.122 1.00 0.00 O ATOM 838 CB PRO A 60 -11.079 -10.470 2.380 1.00 0.00 C ATOM 839 CG PRO A 60 -9.734 -11.028 2.695 1.00 0.00 C ATOM 840 CD PRO A 60 -8.773 -10.357 1.754 1.00 0.00 C ATOM 0 HA PRO A 60 -11.488 -8.678 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.733 -10.500 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.570 -11.043 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.464 -10.832 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.720 -12.110 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.791 -10.225 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.627 -10.941 0.845 1.00 0.00 H new ATOM 848 N TYR A 61 -10.097 -8.040 4.048 1.00 0.00 N ATOM 849 CA TYR A 61 -10.194 -7.149 5.202 1.00 0.00 C ATOM 850 C TYR A 61 -8.843 -6.511 5.514 1.00 0.00 C ATOM 851 O TYR A 61 -7.803 -7.165 5.419 1.00 0.00 O ATOM 852 CB TYR A 61 -10.710 -7.913 6.424 1.00 0.00 C ATOM 853 CG TYR A 61 -11.473 -7.043 7.398 1.00 0.00 C ATOM 854 CD1 TYR A 61 -10.806 -6.284 8.352 1.00 0.00 C ATOM 855 CD2 TYR A 61 -12.861 -6.974 7.358 1.00 0.00 C ATOM 856 CE1 TYR A 61 -11.500 -5.484 9.240 1.00 0.00 C ATOM 857 CE2 TYR A 61 -13.562 -6.176 8.243 1.00 0.00 C ATOM 858 CZ TYR A 61 -12.878 -5.433 9.180 1.00 0.00 C ATOM 859 OH TYR A 61 -13.572 -4.635 10.062 1.00 0.00 O ATOM 0 H TYR A 61 -9.269 -8.635 4.043 1.00 0.00 H new ATOM 0 HA TYR A 61 -10.900 -6.355 4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.356 -8.724 6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.866 -8.370 6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.728 -6.320 8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -13.401 -7.553 6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.967 -4.902 9.977 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -14.640 -6.135 8.200 1.00 0.00 H new ATOM 0 HH TYR A 61 -14.533 -4.712 9.886 1.00 0.00 H new ATOM 869 N ILE A 62 -8.869 -5.230 5.885 1.00 0.00 N ATOM 870 CA ILE A 62 -7.646 -4.501 6.209 1.00 0.00 C ATOM 871 C ILE A 62 -7.362 -4.540 7.711 1.00 0.00 C ATOM 872 O ILE A 62 -8.179 -4.090 8.515 1.00 0.00 O ATOM 873 CB ILE A 62 -7.723 -3.027 5.746 1.00 0.00 C ATOM 874 CG1 ILE A 62 -8.173 -2.946 4.284 1.00 0.00 C ATOM 875 CG2 ILE A 62 -6.374 -2.345 5.927 1.00 0.00 C ATOM 876 CD1 ILE A 62 -8.386 -1.530 3.791 1.00 0.00 C ATOM 0 H ILE A 62 -9.723 -4.678 5.968 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.835 -4.996 5.676 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.459 -2.509 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.426 -3.432 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.101 -3.506 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.443 -1.308 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.090 -2.373 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.621 -2.865 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.703 -1.552 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -9.154 -1.046 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.454 -0.971 3.875 1.00 0.00 H new ATOM 888 N PRO A 63 -6.192 -5.081 8.108 1.00 0.00 N ATOM 889 CA PRO A 63 -5.794 -5.178 9.520 1.00 0.00 C ATOM 890 C PRO A 63 -5.397 -3.827 10.116 1.00 0.00 C ATOM 891 O PRO A 63 -4.983 -2.919 9.394 1.00 0.00 O ATOM 892 CB PRO A 63 -4.589 -6.119 9.482 1.00 0.00 C ATOM 893 CG PRO A 63 -4.004 -5.919 8.126 1.00 0.00 C ATOM 894 CD PRO A 63 -5.163 -5.643 7.208 1.00 0.00 C ATOM 0 HA PRO A 63 -6.613 -5.530 10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.870 -5.876 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.889 -7.155 9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.299 -5.088 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.454 -6.804 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.892 -4.940 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.512 -6.552 6.718 1.00 0.00 H new ATOM 902 N GLU A 64 -5.527 -3.704 11.439 1.00 0.00 N ATOM 903 CA GLU A 64 -5.188 -2.466 12.137 1.00 0.00 C ATOM 904 C GLU A 64 -3.890 -2.610 12.939 1.00 0.00 C ATOM 905 O GLU A 64 -3.736 -2.002 14.001 1.00 0.00 O ATOM 906 CB GLU A 64 -6.335 -2.057 13.065 1.00 0.00 C ATOM 907 CG GLU A 64 -7.646 -1.789 12.338 1.00 0.00 C ATOM 908 CD GLU A 64 -8.851 -2.319 13.091 1.00 0.00 C ATOM 909 OE1 GLU A 64 -9.346 -1.610 13.994 1.00 0.00 O ATOM 910 OE2 GLU A 64 -9.299 -3.442 12.780 1.00 0.00 O ATOM 0 H GLU A 64 -5.865 -4.449 12.048 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.034 -1.690 11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.493 -2.845 13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.045 -1.161 13.614 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.760 -0.716 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.609 -2.248 11.350 1.00 0.00 H new ATOM 917 N GLY A 65 -2.955 -3.411 12.422 1.00 0.00 N ATOM 918 CA GLY A 65 -1.685 -3.613 13.102 1.00 0.00 C ATOM 919 C GLY A 65 -0.527 -3.768 12.134 1.00 0.00 C ATOM 920 O GLY A 65 -0.292 -2.897 11.295 1.00 0.00 O ATOM 0 H GLY A 65 -3.056 -3.922 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.492 -2.768 13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.750 -4.501 13.731 1.00 0.00 H new ATOM 924 N GLN A 66 0.198 -4.880 12.250 1.00 0.00 N ATOM 925 CA GLN A 66 1.339 -5.149 11.377 1.00 0.00 C ATOM 926 C GLN A 66 0.925 -5.990 10.170 1.00 0.00 C ATOM 927 O GLN A 66 0.090 -6.890 10.284 1.00 0.00 O ATOM 928 CB GLN A 66 2.445 -5.876 12.150 1.00 0.00 C ATOM 929 CG GLN A 66 3.154 -5.006 13.178 1.00 0.00 C ATOM 930 CD GLN A 66 4.555 -5.500 13.490 1.00 0.00 C ATOM 931 OE1 GLN A 66 4.878 -5.794 14.641 1.00 0.00 O ATOM 932 NE2 GLN A 66 5.396 -5.595 12.465 1.00 0.00 N ATOM 0 H GLN A 66 0.015 -5.609 12.940 1.00 0.00 H new ATOM 0 HA GLN A 66 1.715 -4.190 11.021 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.014 -6.740 12.656 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.181 -6.256 11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.207 -3.982 12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.567 -4.983 14.096 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.087 -5.341 11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.350 -5.922 12.617 1.00 0.00 H new ATOM 941 N TRP A 67 1.522 -5.695 9.016 1.00 0.00 N ATOM 942 CA TRP A 67 1.225 -6.427 7.790 1.00 0.00 C ATOM 943 C TRP A 67 2.449 -7.205 7.314 1.00 0.00 C ATOM 944 O TRP A 67 3.434 -6.614 6.869 1.00 0.00 O ATOM 945 CB TRP A 67 0.756 -5.467 6.689 1.00 0.00 C ATOM 946 CG TRP A 67 0.089 -6.162 5.538 1.00 0.00 C ATOM 947 CD1 TRP A 67 -0.825 -7.173 5.609 1.00 0.00 C ATOM 948 CD2 TRP A 67 0.287 -5.899 4.141 1.00 0.00 C ATOM 949 NE1 TRP A 67 -1.204 -7.557 4.348 1.00 0.00 N ATOM 950 CE2 TRP A 67 -0.537 -6.790 3.429 1.00 0.00 C ATOM 951 CE3 TRP A 67 1.082 -4.999 3.425 1.00 0.00 C ATOM 952 CZ2 TRP A 67 -0.593 -6.804 2.036 1.00 0.00 C ATOM 953 CZ3 TRP A 67 1.026 -5.014 2.043 1.00 0.00 C ATOM 954 CH2 TRP A 67 0.196 -5.912 1.362 1.00 0.00 C ATOM 0 H TRP A 67 2.214 -4.954 8.907 1.00 0.00 H new ATOM 0 HA TRP A 67 0.424 -7.134 8.006 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.063 -4.744 7.119 1.00 0.00 H new ATOM 0 HB3 TRP A 67 1.613 -4.905 6.318 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.196 -7.608 6.525 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.874 -8.294 4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.728 -4.305 3.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -1.235 -7.493 1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.633 -4.321 1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.178 -5.901 0.282 1.00 0.00 H new ATOM 965 N LEU A 68 2.375 -8.533 7.404 1.00 0.00 N ATOM 966 CA LEU A 68 3.471 -9.398 6.972 1.00 0.00 C ATOM 967 C LEU A 68 3.042 -10.221 5.759 1.00 0.00 C ATOM 968 O LEU A 68 2.210 -11.121 5.881 1.00 0.00 O ATOM 969 CB LEU A 68 3.910 -10.354 8.096 1.00 0.00 C ATOM 970 CG LEU A 68 4.685 -9.731 9.269 1.00 0.00 C ATOM 971 CD1 LEU A 68 6.125 -9.444 8.868 1.00 0.00 C ATOM 972 CD2 LEU A 68 4.007 -8.462 9.771 1.00 0.00 C ATOM 0 H LEU A 68 1.566 -9.033 7.773 1.00 0.00 H new ATOM 0 HA LEU A 68 4.313 -8.757 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.020 -10.840 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.529 -11.135 7.656 1.00 0.00 H new ATOM 0 HG LEU A 68 4.688 -10.453 10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.657 -9.004 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.614 -10.374 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.137 -8.749 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.580 -8.047 10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.957 -7.732 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.998 -8.698 10.110 1.00 0.00 H new ATOM 984 N CYS A 69 3.614 -9.913 4.598 1.00 0.00 N ATOM 985 CA CYS A 69 3.295 -10.636 3.372 1.00 0.00 C ATOM 986 C CYS A 69 3.656 -12.116 3.518 1.00 0.00 C ATOM 987 O CYS A 69 4.391 -12.498 4.429 1.00 0.00 O ATOM 988 CB CYS A 69 4.025 -10.013 2.172 1.00 0.00 C ATOM 989 SG CYS A 69 5.842 -10.141 2.236 1.00 0.00 S ATOM 0 H CYS A 69 4.301 -9.168 4.481 1.00 0.00 H new ATOM 0 HA CYS A 69 2.222 -10.560 3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.672 -10.494 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.751 -8.960 2.104 1.00 0.00 H new ATOM 994 N ARG A 70 3.111 -12.946 2.634 1.00 0.00 N ATOM 995 CA ARG A 70 3.347 -14.394 2.674 1.00 0.00 C ATOM 996 C ARG A 70 4.830 -14.764 2.770 1.00 0.00 C ATOM 997 O ARG A 70 5.164 -15.827 3.291 1.00 0.00 O ATOM 998 CB ARG A 70 2.749 -15.066 1.438 1.00 0.00 C ATOM 999 CG ARG A 70 1.240 -14.911 1.319 1.00 0.00 C ATOM 1000 CD ARG A 70 0.786 -14.996 -0.130 1.00 0.00 C ATOM 1001 NE ARG A 70 1.529 -14.079 -0.993 1.00 0.00 N ATOM 1002 CZ ARG A 70 1.535 -14.139 -2.326 1.00 0.00 C ATOM 1003 NH1 ARG A 70 0.828 -15.070 -2.961 1.00 0.00 N ATOM 1004 NH2 ARG A 70 2.247 -13.266 -3.028 1.00 0.00 N ATOM 0 H ARG A 70 2.499 -12.643 1.876 1.00 0.00 H new ATOM 0 HA ARG A 70 2.859 -14.752 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.218 -14.649 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.994 -16.128 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.746 -15.688 1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.937 -13.953 1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.914 -16.017 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.278 -14.768 -0.190 1.00 0.00 H new ATOM 0 HE ARG A 70 2.079 -13.345 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.277 -15.743 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.837 -15.110 -3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.790 -12.548 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.251 -13.313 -4.047 1.00 0.00 H new ATOM 1018 N HIS A 71 5.719 -13.907 2.269 1.00 0.00 N ATOM 1019 CA HIS A 71 7.147 -14.198 2.304 1.00 0.00 C ATOM 1020 C HIS A 71 7.705 -14.057 3.710 1.00 0.00 C ATOM 1021 O HIS A 71 8.442 -14.923 4.184 1.00 0.00 O ATOM 1022 CB HIS A 71 7.906 -13.273 1.347 1.00 0.00 C ATOM 1023 CG HIS A 71 8.178 -13.891 0.009 1.00 0.00 C ATOM 1024 ND1 HIS A 71 7.550 -13.487 -1.151 1.00 0.00 N ATOM 1025 CD2 HIS A 71 9.018 -14.890 -0.350 1.00 0.00 C ATOM 1026 CE1 HIS A 71 7.991 -14.211 -2.164 1.00 0.00 C ATOM 1027 NE2 HIS A 71 8.883 -15.070 -1.703 1.00 0.00 N ATOM 0 H HIS A 71 5.477 -13.015 1.839 1.00 0.00 H new ATOM 0 HA HIS A 71 7.282 -15.231 1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.331 -12.358 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.853 -12.987 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.673 -15.443 0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.676 -14.117 -3.193 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.389 -15.756 -2.263 1.00 0.00 H new ATOM 1036 N CYS A 72 7.363 -12.958 4.367 1.00 0.00 N ATOM 1037 CA CYS A 72 7.845 -12.705 5.710 1.00 0.00 C ATOM 1038 C CYS A 72 7.022 -13.437 6.763 1.00 0.00 C ATOM 1039 O CYS A 72 7.582 -14.053 7.671 1.00 0.00 O ATOM 1040 CB CYS A 72 7.869 -11.215 5.978 1.00 0.00 C ATOM 1041 SG CYS A 72 6.262 -10.388 5.829 1.00 0.00 S ATOM 0 H CYS A 72 6.755 -12.231 3.990 1.00 0.00 H new ATOM 0 HA CYS A 72 8.860 -13.095 5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.256 -11.047 6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.568 -10.747 5.285 1.00 0.00 H new ATOM 1046 N LEU A 73 5.693 -13.387 6.635 1.00 0.00 N ATOM 1047 CA LEU A 73 4.819 -14.075 7.583 1.00 0.00 C ATOM 1048 C LEU A 73 5.126 -15.572 7.590 1.00 0.00 C ATOM 1049 O LEU A 73 4.872 -16.262 8.578 1.00 0.00 O ATOM 1050 CB LEU A 73 3.340 -13.832 7.253 1.00 0.00 C ATOM 1051 CG LEU A 73 2.795 -14.585 6.033 1.00 0.00 C ATOM 1052 CD1 LEU A 73 2.494 -16.037 6.377 1.00 0.00 C ATOM 1053 CD2 LEU A 73 1.545 -13.896 5.502 1.00 0.00 C ATOM 0 H LEU A 73 5.206 -12.884 5.894 1.00 0.00 H new ATOM 0 HA LEU A 73 5.010 -13.670 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.743 -14.108 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.194 -12.764 7.092 1.00 0.00 H new ATOM 0 HG LEU A 73 3.560 -14.573 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.109 -16.548 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.408 -16.529 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.750 -16.076 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.169 -14.441 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.781 -13.878 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.789 -12.875 5.210 1.00 0.00 H new ATOM 1065 N GLN A 74 5.700 -16.062 6.485 1.00 0.00 N ATOM 1066 CA GLN A 74 6.071 -17.467 6.375 1.00 0.00 C ATOM 1067 C GLN A 74 7.421 -17.703 7.051 1.00 0.00 C ATOM 1068 O GLN A 74 7.614 -18.706 7.740 1.00 0.00 O ATOM 1069 CB GLN A 74 6.131 -17.890 4.906 1.00 0.00 C ATOM 1070 CG GLN A 74 6.557 -19.333 4.696 1.00 0.00 C ATOM 1071 CD GLN A 74 6.569 -19.724 3.230 1.00 0.00 C ATOM 1072 OE1 GLN A 74 7.040 -18.969 2.379 1.00 0.00 O ATOM 1073 NE2 GLN A 74 6.049 -20.908 2.926 1.00 0.00 N ATOM 0 H GLN A 74 5.915 -15.503 5.659 1.00 0.00 H new ATOM 0 HA GLN A 74 5.314 -18.071 6.876 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.149 -17.742 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.825 -17.236 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.552 -19.480 5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.880 -19.992 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.669 -21.503 3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.030 -21.223 1.956 1.00 0.00 H new ATOM 1082 N SER A 75 8.345 -16.758 6.857 1.00 0.00 N ATOM 1083 CA SER A 75 9.674 -16.841 7.459 1.00 0.00 C ATOM 1084 C SER A 75 9.571 -16.965 8.977 1.00 0.00 C ATOM 1085 O SER A 75 10.258 -17.783 9.589 1.00 0.00 O ATOM 1086 CB SER A 75 10.507 -15.604 7.099 1.00 0.00 C ATOM 1087 OG SER A 75 11.873 -15.794 7.431 1.00 0.00 O ATOM 0 H SER A 75 8.195 -15.926 6.286 1.00 0.00 H new ATOM 0 HA SER A 75 10.167 -17.729 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.414 -15.397 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.119 -14.734 7.628 1.00 0.00 H new ATOM 0 HG SER A 75 12.383 -14.992 7.190 1.00 0.00 H new ATOM 1093 N ARG A 76 8.700 -16.148 9.575 1.00 0.00 N ATOM 1094 CA ARG A 76 8.498 -16.168 11.024 1.00 0.00 C ATOM 1095 C ARG A 76 7.617 -17.348 11.447 1.00 0.00 C ATOM 1096 O ARG A 76 7.722 -17.831 12.572 1.00 0.00 O ATOM 1097 CB ARG A 76 7.879 -14.850 11.506 1.00 0.00 C ATOM 1098 CG ARG A 76 6.467 -14.598 10.996 1.00 0.00 C ATOM 1099 CD ARG A 76 5.418 -15.078 11.991 1.00 0.00 C ATOM 1100 NE ARG A 76 4.059 -14.889 11.487 1.00 0.00 N ATOM 1101 CZ ARG A 76 3.412 -13.718 11.496 1.00 0.00 C ATOM 1102 NH1 ARG A 76 4.001 -12.625 11.976 1.00 0.00 N ATOM 1103 NH2 ARG A 76 2.173 -13.642 11.022 1.00 0.00 N ATOM 0 H ARG A 76 8.125 -15.467 9.079 1.00 0.00 H new ATOM 0 HA ARG A 76 9.476 -16.288 11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.865 -14.846 12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.519 -14.025 11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.332 -13.533 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.327 -15.109 10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.581 -16.134 12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.535 -14.537 12.930 1.00 0.00 H new ATOM 0 HE ARG A 76 3.574 -15.701 11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.952 -12.677 12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.501 -11.736 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.716 -14.476 10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.678 -12.750 11.028 1.00 0.00 H new ATOM 1117 N ALA A 77 6.749 -17.808 10.539 1.00 0.00 N ATOM 1118 CA ALA A 77 5.859 -18.934 10.824 1.00 0.00 C ATOM 1119 C ALA A 77 6.652 -20.210 11.112 1.00 0.00 C ATOM 1120 O ALA A 77 6.211 -21.056 11.891 1.00 0.00 O ATOM 1121 CB ALA A 77 4.894 -19.160 9.669 1.00 0.00 C ATOM 0 H ALA A 77 6.646 -17.417 9.603 1.00 0.00 H new ATOM 0 HA ALA A 77 5.285 -18.685 11.716 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.241 -20.001 9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.292 -18.264 9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.457 -19.377 8.761 1.00 0.00 H new ATOM 1127 N ARG A 78 7.823 -20.344 10.481 1.00 0.00 N ATOM 1128 CA ARG A 78 8.673 -21.520 10.674 1.00 0.00 C ATOM 1129 C ARG A 78 9.051 -21.694 12.148 1.00 0.00 C ATOM 1130 O ARG A 78 8.676 -22.685 12.773 1.00 0.00 O ATOM 1131 CB ARG A 78 9.939 -21.422 9.813 1.00 0.00 C ATOM 1132 CG ARG A 78 9.899 -22.306 8.578 1.00 0.00 C ATOM 1133 CD ARG A 78 11.285 -22.497 7.980 1.00 0.00 C ATOM 1134 NE ARG A 78 12.044 -23.538 8.674 1.00 0.00 N ATOM 1135 CZ ARG A 78 13.182 -24.066 8.215 1.00 0.00 C ATOM 1136 NH1 ARG A 78 13.704 -23.650 7.063 1.00 0.00 N ATOM 1137 NH2 ARG A 78 13.804 -25.012 8.911 1.00 0.00 N ATOM 0 H ARG A 78 8.202 -19.653 9.834 1.00 0.00 H new ATOM 0 HA ARG A 78 8.103 -22.395 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.080 -20.386 9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.803 -21.695 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.478 -23.277 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.239 -21.862 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.192 -22.758 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.833 -21.556 8.028 1.00 0.00 H new ATOM 0 HE ARG A 78 11.682 -23.882 9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.235 -22.923 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.573 -24.059 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.412 -25.335 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.673 -25.415 8.560 1.00 0.00 H new ATOM 1151 N PRO A 79 9.795 -20.730 12.730 1.00 0.00 N ATOM 1152 CA PRO A 79 10.210 -20.796 14.136 1.00 0.00 C ATOM 1153 C PRO A 79 9.037 -20.631 15.100 1.00 0.00 C ATOM 1154 O PRO A 79 8.245 -19.695 14.975 1.00 0.00 O ATOM 1155 CB PRO A 79 11.185 -19.623 14.278 1.00 0.00 C ATOM 1156 CG PRO A 79 10.787 -18.665 13.210 1.00 0.00 C ATOM 1157 CD PRO A 79 10.290 -19.507 12.067 1.00 0.00 C ATOM 0 HA PRO A 79 10.647 -21.764 14.383 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.113 -19.167 15.265 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.217 -19.949 14.152 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.010 -17.987 13.563 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.632 -18.049 12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.499 -19.003 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.086 -19.730 11.357 1.00 0.00 H new ATOM 1165 N ALA A 80 8.932 -21.547 16.063 1.00 0.00 N ATOM 1166 CA ALA A 80 7.857 -21.504 17.053 1.00 0.00 C ATOM 1167 C ALA A 80 8.232 -20.618 18.238 1.00 0.00 C ATOM 1168 O ALA A 80 9.082 -19.732 18.127 1.00 0.00 O ATOM 1169 CB ALA A 80 7.525 -22.911 17.531 1.00 0.00 C ATOM 0 H ALA A 80 9.578 -22.328 16.178 1.00 0.00 H new ATOM 0 HA ALA A 80 6.976 -21.073 16.576 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.723 -22.865 18.268 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.205 -23.517 16.684 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.409 -23.359 17.984 1.00 0.00 H new TER 1175 ALA A 80 HETATM 1176 ZN ZN A 89 -2.410 -1.299 -8.103 1.00 1.00 ZN HETATM 1177 ZN ZN A 90 6.603 -8.969 4.061 1.00 1.00 ZN