USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 544 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 46 HIS HD1 : A 46 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HD1 : A 49 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0436 (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 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0386 K(o=-0.039,f=-0.74) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.4!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 18 ASN : amide:sc= -0.0034 K(o=-0.0034,f=-1.4) USER MOD Single : A 20 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.9!) USER MOD Single : A 21 SER OG : rot 140:sc= 0.212 USER MOD Single : A 23 GLN :FLIP amide:sc= -3.52! C(o=-4.2!,f=-3.5!) USER MOD Single : A 24 THR OG1 : rot -46:sc= -0.234! USER MOD Single : A 30 MET CE :methyl 172:sc= -3.09! (180deg=-3.37!) USER MOD Single : A 31 CYS SG : rot 68:sc= 0.976 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 45 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.019) USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.575) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0693 (180deg=-0.755) USER MOD Single : A 60 ASN : amide:sc= 0.201 K(o=0.2,f=-1.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -160:sc= 0 USER MOD Single : A 73 SER OG : rot 170:sc= -1.06 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.123 -5.399 21.188 1.00 0.00 N ATOM 2 CA GLY A 1 -24.099 -5.193 20.180 1.00 0.00 C ATOM 3 C GLY A 1 -24.245 -6.137 19.004 1.00 0.00 C ATOM 4 O GLY A 1 -24.890 -7.179 19.112 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.715 -4.547 21.260 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.715 -6.211 20.920 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.673 -5.587 22.107 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.146 -4.164 19.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.116 -5.329 20.632 1.00 0.00 H new ATOM 8 N SER A 2 -23.645 -5.771 17.875 1.00 0.00 N ATOM 9 CA SER A 2 -23.715 -6.591 16.672 1.00 0.00 C ATOM 10 C SER A 2 -22.572 -7.601 16.634 1.00 0.00 C ATOM 11 O SER A 2 -21.637 -7.526 17.431 1.00 0.00 O ATOM 12 CB SER A 2 -23.671 -5.707 15.424 1.00 0.00 C ATOM 13 OG SER A 2 -24.724 -4.760 15.432 1.00 0.00 O ATOM 0 H SER A 2 -23.105 -4.912 17.769 1.00 0.00 H new ATOM 0 HA SER A 2 -24.658 -7.137 16.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.713 -5.190 15.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.744 -6.329 14.532 1.00 0.00 H new ATOM 0 HG SER A 2 -24.672 -4.207 14.625 1.00 0.00 H new ATOM 19 N SER A 3 -22.655 -8.545 15.703 1.00 0.00 N ATOM 20 CA SER A 3 -21.630 -9.573 15.563 1.00 0.00 C ATOM 21 C SER A 3 -20.252 -8.945 15.383 1.00 0.00 C ATOM 22 O SER A 3 -20.110 -7.905 14.741 1.00 0.00 O ATOM 23 CB SER A 3 -21.948 -10.482 14.374 1.00 0.00 C ATOM 24 OG SER A 3 -21.106 -11.622 14.363 1.00 0.00 O ATOM 0 H SER A 3 -23.421 -8.620 15.034 1.00 0.00 H new ATOM 0 HA SER A 3 -21.622 -10.170 16.475 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.991 -10.797 14.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.825 -9.926 13.444 1.00 0.00 H new ATOM 0 HG SER A 3 -21.331 -12.187 13.595 1.00 0.00 H new ATOM 30 N GLY A 4 -19.237 -9.586 15.955 1.00 0.00 N ATOM 31 CA GLY A 4 -17.882 -9.076 15.847 1.00 0.00 C ATOM 32 C GLY A 4 -17.471 -8.822 14.411 1.00 0.00 C ATOM 33 O GLY A 4 -18.284 -8.945 13.494 1.00 0.00 O ATOM 0 H GLY A 4 -19.329 -10.449 16.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.800 -8.149 16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.192 -9.789 16.299 1.00 0.00 H new ATOM 37 N SER A 5 -16.207 -8.464 14.213 1.00 0.00 N ATOM 38 CA SER A 5 -15.690 -8.185 12.878 1.00 0.00 C ATOM 39 C SER A 5 -14.532 -9.118 12.539 1.00 0.00 C ATOM 40 O SER A 5 -13.437 -8.991 13.087 1.00 0.00 O ATOM 41 CB SER A 5 -15.234 -6.728 12.779 1.00 0.00 C ATOM 42 OG SER A 5 -14.835 -6.408 11.457 1.00 0.00 O ATOM 0 H SER A 5 -15.521 -8.360 14.961 1.00 0.00 H new ATOM 0 HA SER A 5 -16.493 -8.356 12.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.045 -6.068 13.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.404 -6.556 13.465 1.00 0.00 H new ATOM 0 HG SER A 5 -14.549 -5.471 11.419 1.00 0.00 H new ATOM 48 N SER A 6 -14.782 -10.055 11.630 1.00 0.00 N ATOM 49 CA SER A 6 -13.761 -11.012 11.219 1.00 0.00 C ATOM 50 C SER A 6 -13.691 -11.111 9.698 1.00 0.00 C ATOM 51 O SER A 6 -14.277 -12.009 9.095 1.00 0.00 O ATOM 52 CB SER A 6 -14.053 -12.389 11.818 1.00 0.00 C ATOM 53 OG SER A 6 -14.136 -12.323 13.231 1.00 0.00 O ATOM 0 H SER A 6 -15.682 -10.172 11.164 1.00 0.00 H new ATOM 0 HA SER A 6 -12.798 -10.660 11.588 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.989 -12.774 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.269 -13.089 11.529 1.00 0.00 H new ATOM 0 HG SER A 6 -14.325 -13.215 13.590 1.00 0.00 H new ATOM 59 N GLY A 7 -12.968 -10.180 9.083 1.00 0.00 N ATOM 60 CA GLY A 7 -12.833 -10.179 7.638 1.00 0.00 C ATOM 61 C GLY A 7 -11.620 -9.402 7.169 1.00 0.00 C ATOM 62 O GLY A 7 -10.489 -9.874 7.287 1.00 0.00 O ATOM 0 H GLY A 7 -12.473 -9.426 9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.762 -11.207 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.730 -9.749 7.193 1.00 0.00 H new ATOM 66 N GLN A 8 -11.854 -8.208 6.634 1.00 0.00 N ATOM 67 CA GLN A 8 -10.770 -7.365 6.143 1.00 0.00 C ATOM 68 C GLN A 8 -10.452 -6.253 7.137 1.00 0.00 C ATOM 69 O GLN A 8 -11.104 -6.129 8.176 1.00 0.00 O ATOM 70 CB GLN A 8 -11.138 -6.763 4.786 1.00 0.00 C ATOM 71 CG GLN A 8 -11.233 -7.790 3.670 1.00 0.00 C ATOM 72 CD GLN A 8 -9.878 -8.329 3.256 1.00 0.00 C ATOM 73 OE1 GLN A 8 -8.886 -7.599 3.240 1.00 0.00 O ATOM 74 NE2 GLN A 8 -9.828 -9.612 2.919 1.00 0.00 N ATOM 0 H GLN A 8 -12.784 -7.803 6.530 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.883 -7.988 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.093 -6.246 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.394 -6.014 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.865 -8.617 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.719 -7.338 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.675 -10.180 2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.943 -10.030 2.632 1.00 0.00 H new ATOM 83 N LEU A 9 -9.448 -5.446 6.814 1.00 0.00 N ATOM 84 CA LEU A 9 -9.043 -4.343 7.679 1.00 0.00 C ATOM 85 C LEU A 9 -9.832 -3.079 7.355 1.00 0.00 C ATOM 86 O LEU A 9 -10.302 -2.881 6.234 1.00 0.00 O ATOM 87 CB LEU A 9 -7.544 -4.076 7.529 1.00 0.00 C ATOM 88 CG LEU A 9 -6.613 -5.196 7.993 1.00 0.00 C ATOM 89 CD1 LEU A 9 -5.177 -4.898 7.589 1.00 0.00 C ATOM 90 CD2 LEU A 9 -6.716 -5.386 9.500 1.00 0.00 C ATOM 0 H LEU A 9 -8.899 -5.534 5.959 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.254 -4.626 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.335 -3.869 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.299 -3.172 8.087 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.921 -6.122 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.529 -5.706 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.114 -4.813 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.858 -3.961 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.046 -6.187 9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.435 -4.461 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.741 -5.646 9.765 1.00 0.00 H new ATOM 102 N PRO A 10 -9.980 -2.200 8.357 1.00 0.00 N ATOM 103 CA PRO A 10 -10.710 -0.938 8.202 1.00 0.00 C ATOM 104 C PRO A 10 -9.969 0.054 7.311 1.00 0.00 C ATOM 105 O PRO A 10 -8.754 0.217 7.424 1.00 0.00 O ATOM 106 CB PRO A 10 -10.804 -0.404 9.634 1.00 0.00 C ATOM 107 CG PRO A 10 -9.646 -1.017 10.343 1.00 0.00 C ATOM 108 CD PRO A 10 -9.447 -2.371 9.719 1.00 0.00 C ATOM 0 HA PRO A 10 -11.678 -1.083 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.750 0.684 9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.748 -0.686 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.752 -0.402 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.845 -1.105 11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.395 -2.657 9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.982 -3.148 10.265 1.00 0.00 H new ATOM 116 N SER A 11 -10.709 0.714 6.426 1.00 0.00 N ATOM 117 CA SER A 11 -10.121 1.688 5.513 1.00 0.00 C ATOM 118 C SER A 11 -10.389 3.111 5.992 1.00 0.00 C ATOM 119 O SER A 11 -11.499 3.437 6.414 1.00 0.00 O ATOM 120 CB SER A 11 -10.680 1.498 4.102 1.00 0.00 C ATOM 121 OG SER A 11 -10.481 0.170 3.649 1.00 0.00 O ATOM 0 H SER A 11 -11.716 0.592 6.322 1.00 0.00 H new ATOM 0 HA SER A 11 -9.043 1.527 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.744 1.732 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.195 2.195 3.419 1.00 0.00 H new ATOM 0 HG SER A 11 -10.849 0.074 2.746 1.00 0.00 H new ATOM 127 N TYR A 12 -9.366 3.955 5.921 1.00 0.00 N ATOM 128 CA TYR A 12 -9.489 5.343 6.349 1.00 0.00 C ATOM 129 C TYR A 12 -8.397 6.205 5.723 1.00 0.00 C ATOM 130 O TYR A 12 -7.304 5.723 5.425 1.00 0.00 O ATOM 131 CB TYR A 12 -9.417 5.438 7.874 1.00 0.00 C ATOM 132 CG TYR A 12 -8.006 5.402 8.417 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.281 4.217 8.444 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.397 6.553 8.901 1.00 0.00 C ATOM 135 CE1 TYR A 12 -5.992 4.179 8.940 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.108 6.526 9.397 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.410 5.336 9.415 1.00 0.00 C ATOM 138 OH TYR A 12 -4.126 5.303 9.908 1.00 0.00 O ATOM 0 H TYR A 12 -8.442 3.702 5.571 1.00 0.00 H new ATOM 0 HA TYR A 12 -10.457 5.715 6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.897 6.362 8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.986 4.616 8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.733 3.310 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.941 7.486 8.889 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.443 3.249 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.650 7.431 9.768 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.865 6.201 10.201 1.00 0.00 H new ATOM 148 N ARG A 13 -8.702 7.484 5.526 1.00 0.00 N ATOM 149 CA ARG A 13 -7.748 8.415 4.935 1.00 0.00 C ATOM 150 C ARG A 13 -6.872 9.052 6.010 1.00 0.00 C ATOM 151 O ARG A 13 -7.292 9.206 7.157 1.00 0.00 O ATOM 152 CB ARG A 13 -8.483 9.503 4.150 1.00 0.00 C ATOM 153 CG ARG A 13 -8.936 9.057 2.769 1.00 0.00 C ATOM 154 CD ARG A 13 -10.156 9.837 2.304 1.00 0.00 C ATOM 155 NE ARG A 13 -9.790 11.109 1.687 1.00 0.00 N ATOM 156 CZ ARG A 13 -10.558 11.750 0.813 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.729 11.240 0.456 1.00 0.00 N ATOM 158 NH2 ARG A 13 -10.156 12.903 0.295 1.00 0.00 N ATOM 0 H ARG A 13 -9.602 7.899 5.767 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.108 7.855 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.353 9.827 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.829 10.369 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.122 9.193 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.169 7.992 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.719 9.237 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.813 10.022 3.154 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.896 11.528 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.042 10.354 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.317 11.734 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.256 13.298 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.747 13.394 -0.376 1.00 0.00 H new ATOM 172 N PHE A 14 -5.652 9.419 5.631 1.00 0.00 N ATOM 173 CA PHE A 14 -4.717 10.038 6.563 1.00 0.00 C ATOM 174 C PHE A 14 -5.135 11.470 6.883 1.00 0.00 C ATOM 175 O PHE A 14 -5.509 12.232 5.992 1.00 0.00 O ATOM 176 CB PHE A 14 -3.302 10.026 5.980 1.00 0.00 C ATOM 177 CG PHE A 14 -2.285 10.693 6.862 1.00 0.00 C ATOM 178 CD1 PHE A 14 -1.718 10.012 7.927 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.896 12.002 6.625 1.00 0.00 C ATOM 180 CE1 PHE A 14 -0.783 10.624 8.740 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.961 12.619 7.435 1.00 0.00 C ATOM 182 CZ PHE A 14 -0.403 11.929 8.493 1.00 0.00 C ATOM 0 H PHE A 14 -5.288 9.299 4.686 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.728 9.461 7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.998 8.994 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.313 10.524 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.010 8.991 8.124 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.328 12.546 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.350 10.082 9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.667 13.640 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.329 12.409 9.126 1.00 0.00 H new ATOM 192 N ASN A 15 -5.069 11.828 8.161 1.00 0.00 N ATOM 193 CA ASN A 15 -5.441 13.168 8.600 1.00 0.00 C ATOM 194 C ASN A 15 -4.352 13.775 9.479 1.00 0.00 C ATOM 195 O ASN A 15 -4.235 13.469 10.666 1.00 0.00 O ATOM 196 CB ASN A 15 -6.766 13.126 9.365 1.00 0.00 C ATOM 197 CG ASN A 15 -7.949 12.853 8.457 1.00 0.00 C ATOM 198 OD1 ASN A 15 -7.969 11.864 7.725 1.00 0.00 O ATOM 199 ND2 ASN A 15 -8.944 13.732 8.502 1.00 0.00 N ATOM 0 H ASN A 15 -4.761 11.209 8.911 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.559 13.794 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.715 12.354 10.133 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.917 14.076 9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.767 13.601 7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.885 14.538 9.124 1.00 0.00 H new ATOM 206 N PRO A 16 -3.535 14.656 8.884 1.00 0.00 N ATOM 207 CA PRO A 16 -2.441 15.326 9.595 1.00 0.00 C ATOM 208 C PRO A 16 -2.948 16.337 10.618 1.00 0.00 C ATOM 209 O PRO A 16 -2.172 17.115 11.172 1.00 0.00 O ATOM 210 CB PRO A 16 -1.674 16.036 8.476 1.00 0.00 C ATOM 211 CG PRO A 16 -2.681 16.244 7.399 1.00 0.00 C ATOM 212 CD PRO A 16 -3.616 15.068 7.473 1.00 0.00 C ATOM 0 HA PRO A 16 -1.835 14.623 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.260 16.984 8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.838 15.432 8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.220 17.180 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.201 16.300 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.632 15.345 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.307 14.266 6.802 1.00 0.00 H new ATOM 220 N ASN A 17 -4.254 16.319 10.864 1.00 0.00 N ATOM 221 CA ASN A 17 -4.863 17.235 11.821 1.00 0.00 C ATOM 222 C ASN A 17 -5.493 16.470 12.981 1.00 0.00 C ATOM 223 O ASN A 17 -5.358 16.858 14.140 1.00 0.00 O ATOM 224 CB ASN A 17 -5.921 18.098 11.130 1.00 0.00 C ATOM 225 CG ASN A 17 -5.376 18.814 9.909 1.00 0.00 C ATOM 226 OD1 ASN A 17 -4.314 19.434 9.962 1.00 0.00 O ATOM 227 ND2 ASN A 17 -6.104 18.731 8.801 1.00 0.00 N ATOM 0 H ASN A 17 -4.910 15.681 10.414 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.079 17.881 12.218 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.762 17.470 10.835 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.305 18.833 11.837 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.789 19.192 7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.978 18.206 8.803 1.00 0.00 H new ATOM 234 N ASN A 18 -6.182 15.380 12.659 1.00 0.00 N ATOM 235 CA ASN A 18 -6.833 14.559 13.673 1.00 0.00 C ATOM 236 C ASN A 18 -5.844 13.581 14.299 1.00 0.00 C ATOM 237 O ASN A 18 -5.760 13.463 15.522 1.00 0.00 O ATOM 238 CB ASN A 18 -8.008 13.793 13.063 1.00 0.00 C ATOM 239 CG ASN A 18 -9.225 14.673 12.851 1.00 0.00 C ATOM 240 OD1 ASN A 18 -9.208 15.862 13.169 1.00 0.00 O ATOM 241 ND2 ASN A 18 -10.290 14.090 12.312 1.00 0.00 N ATOM 0 H ASN A 18 -6.304 15.045 11.703 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.206 15.221 14.455 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.702 13.364 12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.274 12.961 13.715 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.139 14.631 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.259 13.101 12.064 1.00 0.00 H new ATOM 248 N HIS A 19 -5.095 12.882 13.452 1.00 0.00 N ATOM 249 CA HIS A 19 -4.110 11.914 13.922 1.00 0.00 C ATOM 250 C HIS A 19 -3.488 12.369 15.239 1.00 0.00 C ATOM 251 O HIS A 19 -2.942 13.468 15.331 1.00 0.00 O ATOM 252 CB HIS A 19 -3.018 11.715 12.871 1.00 0.00 C ATOM 253 CG HIS A 19 -3.303 10.597 11.916 1.00 0.00 C ATOM 254 ND1 HIS A 19 -4.300 10.654 10.965 1.00 0.00 N ATOM 255 CD2 HIS A 19 -2.713 9.387 11.768 1.00 0.00 C ATOM 256 CE1 HIS A 19 -4.312 9.527 10.275 1.00 0.00 C ATOM 257 NE2 HIS A 19 -3.359 8.742 10.743 1.00 0.00 N ATOM 0 H HIS A 19 -5.151 12.968 12.437 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.620 10.965 14.089 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.894 12.640 12.308 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.071 11.519 13.375 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.930 11.443 10.817 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.888 9.001 12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.987 9.289 9.466 1.00 0.00 H new ATOM 266 N GLN A 20 -3.575 11.516 16.255 1.00 0.00 N ATOM 267 CA GLN A 20 -3.022 11.831 17.566 1.00 0.00 C ATOM 268 C GLN A 20 -1.534 11.498 17.624 1.00 0.00 C ATOM 269 O GLN A 20 -0.724 12.309 18.072 1.00 0.00 O ATOM 270 CB GLN A 20 -3.771 11.064 18.657 1.00 0.00 C ATOM 271 CG GLN A 20 -3.680 9.554 18.510 1.00 0.00 C ATOM 272 CD GLN A 20 -4.780 8.827 19.259 1.00 0.00 C ATOM 273 OE1 GLN A 20 -5.826 9.403 19.561 1.00 0.00 O ATOM 274 NE2 GLN A 20 -4.549 7.556 19.564 1.00 0.00 N ATOM 0 H GLN A 20 -4.023 10.602 16.195 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.143 12.901 17.736 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.372 11.351 19.630 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.820 11.360 18.643 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.731 9.292 17.453 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.711 9.215 18.876 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.668 7.119 19.294 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.253 7.017 20.068 1.00 0.00 H new ATOM 283 N SER A 21 -1.183 10.300 17.168 1.00 0.00 N ATOM 284 CA SER A 21 0.207 9.858 17.172 1.00 0.00 C ATOM 285 C SER A 21 0.999 10.550 16.067 1.00 0.00 C ATOM 286 O SER A 21 0.431 11.014 15.079 1.00 0.00 O ATOM 287 CB SER A 21 0.282 8.341 16.996 1.00 0.00 C ATOM 288 OG SER A 21 1.589 7.934 16.630 1.00 0.00 O ATOM 0 H SER A 21 -1.841 9.618 16.791 1.00 0.00 H new ATOM 0 HA SER A 21 0.646 10.127 18.133 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.009 7.849 17.924 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.428 8.025 16.232 1.00 0.00 H new ATOM 0 HG SER A 21 1.819 7.107 17.104 1.00 0.00 H new ATOM 294 N GLU A 22 2.316 10.613 16.242 1.00 0.00 N ATOM 295 CA GLU A 22 3.187 11.249 15.260 1.00 0.00 C ATOM 296 C GLU A 22 4.251 10.274 14.766 1.00 0.00 C ATOM 297 O GLU A 22 5.240 10.677 14.154 1.00 0.00 O ATOM 298 CB GLU A 22 3.854 12.487 15.863 1.00 0.00 C ATOM 299 CG GLU A 22 4.978 12.161 16.833 1.00 0.00 C ATOM 300 CD GLU A 22 5.136 13.210 17.916 1.00 0.00 C ATOM 301 OE1 GLU A 22 4.279 13.261 18.823 1.00 0.00 O ATOM 302 OE2 GLU A 22 6.117 13.980 17.857 1.00 0.00 O ATOM 0 H GLU A 22 2.802 10.232 17.054 1.00 0.00 H new ATOM 0 HA GLU A 22 2.575 11.553 14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.249 13.106 15.057 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.100 13.080 16.380 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.785 11.193 17.295 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.914 12.070 16.282 1.00 0.00 H new ATOM 309 N GLN A 23 4.041 8.990 15.037 1.00 0.00 N ATOM 310 CA GLN A 23 4.983 7.957 14.621 1.00 0.00 C ATOM 311 C GLN A 23 4.406 7.121 13.483 1.00 0.00 C ATOM 312 O GLN A 23 4.921 6.049 13.163 1.00 0.00 O ATOM 313 CB GLN A 23 5.338 7.055 15.804 1.00 0.00 C ATOM 314 CG GLN A 23 4.323 5.952 16.054 1.00 0.00 C ATOM 315 CD GLN A 23 4.644 4.680 15.295 1.00 0.00 C ATOM 316 OE1 GLN A 23 3.720 4.248 14.444 1.00 0.00 O flip ATOM 317 NE2 GLN A 23 5.712 4.091 15.470 1.00 0.00 N flip ATOM 0 H GLN A 23 3.227 8.640 15.543 1.00 0.00 H new ATOM 0 HA GLN A 23 5.888 8.448 14.264 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.315 6.605 15.627 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.427 7.666 16.702 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.285 5.734 17.121 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.332 6.303 15.765 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.394 4.458 16.134 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.914 3.236 14.951 1.00 0.00 H new ATOM 326 N THR A 24 3.333 7.617 12.875 1.00 0.00 N ATOM 327 CA THR A 24 2.685 6.916 11.774 1.00 0.00 C ATOM 328 C THR A 24 3.525 6.991 10.504 1.00 0.00 C ATOM 329 O THR A 24 3.518 8.004 9.803 1.00 0.00 O ATOM 330 CB THR A 24 1.286 7.492 11.486 1.00 0.00 C ATOM 331 OG1 THR A 24 0.675 6.778 10.406 1.00 0.00 O ATOM 332 CG2 THR A 24 1.371 8.971 11.140 1.00 0.00 C ATOM 0 H THR A 24 2.894 8.503 13.127 1.00 0.00 H new ATOM 0 HA THR A 24 2.584 5.874 12.079 1.00 0.00 H new ATOM 0 HB THR A 24 0.679 7.380 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.323 6.668 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.371 9.356 10.941 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.809 9.516 11.976 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.994 9.102 10.255 1.00 0.00 H new ATOM 340 N LEU A 25 4.246 5.915 10.212 1.00 0.00 N ATOM 341 CA LEU A 25 5.092 5.859 9.025 1.00 0.00 C ATOM 342 C LEU A 25 5.076 4.463 8.410 1.00 0.00 C ATOM 343 O LEU A 25 4.976 3.461 9.120 1.00 0.00 O ATOM 344 CB LEU A 25 6.526 6.257 9.376 1.00 0.00 C ATOM 345 CG LEU A 25 7.545 6.166 8.240 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.635 7.212 8.415 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.149 4.770 8.176 1.00 0.00 C ATOM 0 H LEU A 25 4.262 5.069 10.781 1.00 0.00 H new ATOM 0 HA LEU A 25 4.695 6.563 8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.517 7.282 9.748 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.867 5.624 10.195 1.00 0.00 H new ATOM 0 HG LEU A 25 7.030 6.362 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.351 7.132 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.189 8.207 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.147 7.048 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.872 4.723 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.649 4.546 9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.359 4.039 8.002 1.00 0.00 H new ATOM 359 N CYS A 26 5.176 4.403 7.087 1.00 0.00 N ATOM 360 CA CYS A 26 5.176 3.130 6.376 1.00 0.00 C ATOM 361 C CYS A 26 6.549 2.468 6.444 1.00 0.00 C ATOM 362 O CYS A 26 7.406 2.702 5.592 1.00 0.00 O ATOM 363 CB CYS A 26 4.770 3.339 4.915 1.00 0.00 C ATOM 364 SG CYS A 26 4.470 1.793 3.999 1.00 0.00 S ATOM 0 H CYS A 26 5.258 5.222 6.485 1.00 0.00 H new ATOM 0 HA CYS A 26 4.452 2.473 6.858 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.867 3.949 4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.553 3.903 4.408 1.00 0.00 H new ATOM 369 N VAL A 27 6.750 1.640 7.464 1.00 0.00 N ATOM 370 CA VAL A 27 8.018 0.943 7.644 1.00 0.00 C ATOM 371 C VAL A 27 8.459 0.264 6.352 1.00 0.00 C ATOM 372 O VAL A 27 9.650 0.048 6.128 1.00 0.00 O ATOM 373 CB VAL A 27 7.923 -0.114 8.760 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.499 -1.459 8.188 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.250 -0.233 9.495 1.00 0.00 C ATOM 0 H VAL A 27 6.051 1.435 8.178 1.00 0.00 H new ATOM 0 HA VAL A 27 8.756 1.694 7.927 1.00 0.00 H new ATOM 0 HB VAL A 27 7.165 0.205 9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.437 -2.193 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.524 -1.360 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.232 -1.788 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.165 -0.984 10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.030 -0.529 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.507 0.729 9.939 1.00 0.00 H new ATOM 385 N VAL A 28 7.491 -0.070 5.505 1.00 0.00 N ATOM 386 CA VAL A 28 7.780 -0.723 4.233 1.00 0.00 C ATOM 387 C VAL A 28 8.645 0.164 3.344 1.00 0.00 C ATOM 388 O VAL A 28 9.805 -0.150 3.076 1.00 0.00 O ATOM 389 CB VAL A 28 6.485 -1.080 3.479 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.805 -1.831 2.196 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.560 -1.897 4.368 1.00 0.00 C ATOM 0 H VAL A 28 6.500 0.101 5.676 1.00 0.00 H new ATOM 0 HA VAL A 28 8.322 -1.640 4.464 1.00 0.00 H new ATOM 0 HB VAL A 28 5.973 -0.156 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.878 -2.075 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.427 -1.207 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.339 -2.750 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.650 -2.141 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.061 -2.818 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.305 -1.319 5.256 1.00 0.00 H new ATOM 401 N CYS A 29 8.073 1.273 2.889 1.00 0.00 N ATOM 402 CA CYS A 29 8.790 2.207 2.029 1.00 0.00 C ATOM 403 C CYS A 29 9.343 3.376 2.838 1.00 0.00 C ATOM 404 O CYS A 29 9.635 4.439 2.291 1.00 0.00 O ATOM 405 CB CYS A 29 7.868 2.727 0.924 1.00 0.00 C ATOM 406 SG CYS A 29 6.419 3.646 1.537 1.00 0.00 S ATOM 0 H CYS A 29 7.114 1.547 3.102 1.00 0.00 H new ATOM 0 HA CYS A 29 9.626 1.675 1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.442 3.375 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.524 1.883 0.326 1.00 0.00 H new ATOM 411 N MET A 30 9.485 3.171 4.144 1.00 0.00 N ATOM 412 CA MET A 30 10.004 4.207 5.028 1.00 0.00 C ATOM 413 C MET A 30 9.562 5.591 4.562 1.00 0.00 C ATOM 414 O MET A 30 10.389 6.478 4.347 1.00 0.00 O ATOM 415 CB MET A 30 11.532 4.140 5.086 1.00 0.00 C ATOM 416 CG MET A 30 12.060 2.859 5.711 1.00 0.00 C ATOM 417 SD MET A 30 12.485 3.060 7.452 1.00 0.00 S ATOM 418 CE MET A 30 11.015 2.403 8.237 1.00 0.00 C ATOM 0 H MET A 30 9.248 2.297 4.613 1.00 0.00 H new ATOM 0 HA MET A 30 9.602 4.033 6.026 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.930 4.233 4.076 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.904 4.992 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.309 2.075 5.612 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.941 2.528 5.162 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.180 2.326 9.312 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.172 3.067 8.046 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.797 1.415 7.832 1.00 0.00 H new ATOM 428 N CYS A 31 8.255 5.769 4.409 1.00 0.00 N ATOM 429 CA CYS A 31 7.703 7.045 3.968 1.00 0.00 C ATOM 430 C CYS A 31 6.534 7.467 4.852 1.00 0.00 C ATOM 431 O CYS A 31 5.776 6.627 5.339 1.00 0.00 O ATOM 432 CB CYS A 31 7.248 6.951 2.511 1.00 0.00 C ATOM 433 SG CYS A 31 8.605 6.848 1.319 1.00 0.00 S ATOM 0 H CYS A 31 7.557 5.046 4.584 1.00 0.00 H new ATOM 0 HA CYS A 31 8.486 7.799 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.611 6.074 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.637 7.822 2.275 1.00 0.00 H new ATOM 0 HG CYS A 31 9.219 5.711 1.458 1.00 0.00 H new ATOM 439 N ASP A 32 6.394 8.772 5.056 1.00 0.00 N ATOM 440 CA ASP A 32 5.318 9.306 5.882 1.00 0.00 C ATOM 441 C ASP A 32 4.010 9.366 5.098 1.00 0.00 C ATOM 442 O ASP A 32 3.841 10.209 4.217 1.00 0.00 O ATOM 443 CB ASP A 32 5.684 10.699 6.397 1.00 0.00 C ATOM 444 CG ASP A 32 6.779 10.660 7.444 1.00 0.00 C ATOM 445 OD1 ASP A 32 7.960 10.523 7.062 1.00 0.00 O ATOM 446 OD2 ASP A 32 6.456 10.765 8.646 1.00 0.00 O ATOM 0 H ASP A 32 7.013 9.480 4.660 1.00 0.00 H new ATOM 0 HA ASP A 32 5.180 8.638 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.007 11.319 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.797 11.171 6.820 1.00 0.00 H new ATOM 451 N PHE A 33 3.088 8.467 5.425 1.00 0.00 N ATOM 452 CA PHE A 33 1.796 8.417 4.750 1.00 0.00 C ATOM 453 C PHE A 33 1.340 9.815 4.344 1.00 0.00 C ATOM 454 O PHE A 33 1.507 10.776 5.095 1.00 0.00 O ATOM 455 CB PHE A 33 0.748 7.769 5.658 1.00 0.00 C ATOM 456 CG PHE A 33 1.236 6.526 6.344 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.446 5.359 5.626 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.483 6.523 7.708 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.895 4.213 6.255 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.932 5.380 8.341 1.00 0.00 C ATOM 461 CZ PHE A 33 2.137 4.223 7.615 1.00 0.00 C ATOM 0 H PHE A 33 3.211 7.763 6.153 1.00 0.00 H new ATOM 0 HA PHE A 33 1.908 7.815 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.435 8.492 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.134 7.525 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.257 5.345 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.323 7.424 8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.056 3.311 5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.123 5.391 9.404 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.486 3.328 8.109 1.00 0.00 H new ATOM 471 N GLU A 34 0.764 9.920 3.151 1.00 0.00 N ATOM 472 CA GLU A 34 0.285 11.201 2.645 1.00 0.00 C ATOM 473 C GLU A 34 -1.224 11.329 2.829 1.00 0.00 C ATOM 474 O GLU A 34 -1.951 10.336 2.796 1.00 0.00 O ATOM 475 CB GLU A 34 0.645 11.357 1.166 1.00 0.00 C ATOM 476 CG GLU A 34 2.058 11.863 0.933 1.00 0.00 C ATOM 477 CD GLU A 34 2.424 13.015 1.849 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.666 14.007 1.884 1.00 0.00 O ATOM 479 OE2 GLU A 34 3.467 12.925 2.529 1.00 0.00 O ATOM 0 H GLU A 34 0.618 9.134 2.517 1.00 0.00 H new ATOM 0 HA GLU A 34 0.771 11.993 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.526 10.394 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.060 12.046 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.762 11.045 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.159 12.182 -0.104 1.00 0.00 H new ATOM 486 N SER A 35 -1.689 12.559 3.024 1.00 0.00 N ATOM 487 CA SER A 35 -3.111 12.817 3.217 1.00 0.00 C ATOM 488 C SER A 35 -3.929 12.246 2.063 1.00 0.00 C ATOM 489 O SER A 35 -3.393 11.948 0.996 1.00 0.00 O ATOM 490 CB SER A 35 -3.365 14.321 3.343 1.00 0.00 C ATOM 491 OG SER A 35 -2.847 15.020 2.225 1.00 0.00 O ATOM 0 H SER A 35 -1.102 13.392 3.052 1.00 0.00 H new ATOM 0 HA SER A 35 -3.423 12.324 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.436 14.506 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.903 14.696 4.256 1.00 0.00 H new ATOM 0 HG SER A 35 -3.023 15.978 2.328 1.00 0.00 H new ATOM 497 N ARG A 36 -5.231 12.096 2.287 1.00 0.00 N ATOM 498 CA ARG A 36 -6.124 11.559 1.267 1.00 0.00 C ATOM 499 C ARG A 36 -5.527 10.311 0.624 1.00 0.00 C ATOM 500 O ARG A 36 -5.407 10.228 -0.598 1.00 0.00 O ATOM 501 CB ARG A 36 -6.401 12.615 0.195 1.00 0.00 C ATOM 502 CG ARG A 36 -5.151 13.103 -0.517 1.00 0.00 C ATOM 503 CD ARG A 36 -5.496 13.966 -1.721 1.00 0.00 C ATOM 504 NE ARG A 36 -4.346 14.734 -2.191 1.00 0.00 N ATOM 505 CZ ARG A 36 -4.450 15.865 -2.881 1.00 0.00 C ATOM 506 NH1 ARG A 36 -5.645 16.356 -3.178 1.00 0.00 N ATOM 507 NH2 ARG A 36 -3.358 16.506 -3.275 1.00 0.00 N ATOM 0 H ARG A 36 -5.690 12.339 3.165 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.062 11.285 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.090 12.201 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.902 13.466 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.535 13.675 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.557 12.248 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.863 13.332 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.305 14.648 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.412 14.383 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.487 15.866 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.722 17.224 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.437 16.131 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.439 17.374 -3.805 1.00 0.00 H new ATOM 521 N GLN A 37 -5.155 9.343 1.456 1.00 0.00 N ATOM 522 CA GLN A 37 -4.570 8.100 0.968 1.00 0.00 C ATOM 523 C GLN A 37 -5.028 6.915 1.811 1.00 0.00 C ATOM 524 O GLN A 37 -4.993 6.964 3.041 1.00 0.00 O ATOM 525 CB GLN A 37 -3.043 8.191 0.982 1.00 0.00 C ATOM 526 CG GLN A 37 -2.486 9.224 0.016 1.00 0.00 C ATOM 527 CD GLN A 37 -2.234 8.656 -1.367 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.141 8.119 -2.004 1.00 0.00 O ATOM 529 NE2 GLN A 37 -0.998 8.770 -1.838 1.00 0.00 N ATOM 0 H GLN A 37 -5.248 9.396 2.470 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.909 7.946 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.711 8.434 1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.627 7.214 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.184 10.058 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.554 9.624 0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.278 9.223 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.769 8.405 -2.762 1.00 0.00 H new ATOM 538 N LEU A 38 -5.458 5.851 1.142 1.00 0.00 N ATOM 539 CA LEU A 38 -5.925 4.652 1.829 1.00 0.00 C ATOM 540 C LEU A 38 -4.774 3.952 2.546 1.00 0.00 C ATOM 541 O LEU A 38 -3.749 3.638 1.938 1.00 0.00 O ATOM 542 CB LEU A 38 -6.580 3.691 0.835 1.00 0.00 C ATOM 543 CG LEU A 38 -7.570 2.687 1.425 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.865 3.382 1.816 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.844 1.564 0.435 1.00 0.00 C ATOM 0 H LEU A 38 -5.493 5.794 0.124 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.663 4.954 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.098 4.280 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.793 3.137 0.324 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.128 2.254 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.558 2.652 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.655 4.151 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.311 3.842 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.551 0.858 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.265 1.980 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.912 1.048 0.203 1.00 0.00 H new ATOM 557 N LEU A 39 -4.950 3.710 3.840 1.00 0.00 N ATOM 558 CA LEU A 39 -3.927 3.045 4.640 1.00 0.00 C ATOM 559 C LEU A 39 -4.507 1.840 5.373 1.00 0.00 C ATOM 560 O LEU A 39 -5.686 1.824 5.727 1.00 0.00 O ATOM 561 CB LEU A 39 -3.321 4.025 5.646 1.00 0.00 C ATOM 562 CG LEU A 39 -2.966 5.410 5.103 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.689 6.376 6.244 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.767 5.326 4.170 1.00 0.00 C ATOM 0 H LEU A 39 -5.791 3.964 4.358 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.145 2.695 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.023 4.149 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.418 3.577 6.061 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.817 5.785 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.438 7.356 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.575 6.460 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.855 6.006 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.529 6.321 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.910 4.929 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.002 4.668 3.334 1.00 0.00 H new ATOM 576 N ARG A 40 -3.670 0.833 5.600 1.00 0.00 N ATOM 577 CA ARG A 40 -4.099 -0.376 6.293 1.00 0.00 C ATOM 578 C ARG A 40 -3.408 -0.501 7.648 1.00 0.00 C ATOM 579 O ARG A 40 -2.180 -0.532 7.730 1.00 0.00 O ATOM 580 CB ARG A 40 -3.801 -1.611 5.440 1.00 0.00 C ATOM 581 CG ARG A 40 -4.734 -1.771 4.252 1.00 0.00 C ATOM 582 CD ARG A 40 -6.038 -2.442 4.653 1.00 0.00 C ATOM 583 NE ARG A 40 -6.986 -2.504 3.544 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.957 -3.442 2.604 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.033 -4.392 2.639 1.00 0.00 N ATOM 586 NH2 ARG A 40 -7.854 -3.431 1.626 1.00 0.00 N ATOM 0 H ARG A 40 -2.691 0.830 5.314 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.174 -0.308 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.774 -1.554 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.869 -2.500 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.945 -0.793 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.242 -2.362 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.831 -3.451 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.486 -1.896 5.483 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.710 -1.788 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.342 -4.404 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.013 -5.111 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.567 -2.702 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.831 -4.152 0.905 1.00 0.00 H new ATOM 600 N VAL A 41 -4.206 -0.573 8.708 1.00 0.00 N ATOM 601 CA VAL A 41 -3.672 -0.695 10.060 1.00 0.00 C ATOM 602 C VAL A 41 -3.586 -2.156 10.486 1.00 0.00 C ATOM 603 O VAL A 41 -4.603 -2.839 10.613 1.00 0.00 O ATOM 604 CB VAL A 41 -4.536 0.075 11.076 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.014 -0.136 12.489 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.575 1.555 10.729 1.00 0.00 C ATOM 0 H VAL A 41 -5.224 -0.549 8.657 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.671 -0.264 10.046 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.554 -0.313 11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.637 0.416 13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.044 -1.198 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.987 0.223 12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.190 2.083 11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.563 1.960 10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.000 1.684 9.734 1.00 0.00 H new ATOM 616 N LEU A 42 -2.365 -2.630 10.707 1.00 0.00 N ATOM 617 CA LEU A 42 -2.144 -4.012 11.121 1.00 0.00 C ATOM 618 C LEU A 42 -2.801 -4.288 12.470 1.00 0.00 C ATOM 619 O LEU A 42 -3.069 -3.379 13.255 1.00 0.00 O ATOM 620 CB LEU A 42 -0.645 -4.308 11.201 1.00 0.00 C ATOM 621 CG LEU A 42 0.064 -4.544 9.868 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.535 -4.861 10.095 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.612 -5.667 9.096 1.00 0.00 C ATOM 0 H LEU A 42 -1.513 -2.078 10.607 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.598 -4.665 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.157 -3.475 11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.502 -5.189 11.827 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.003 -3.631 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.024 -5.026 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.013 -4.025 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.624 -5.759 10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.094 -5.821 8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.576 -6.585 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.651 -5.401 8.902 1.00 0.00 H new ATOM 635 N PRO A 43 -3.067 -5.573 12.746 1.00 0.00 N ATOM 636 CA PRO A 43 -3.694 -6.000 14.001 1.00 0.00 C ATOM 637 C PRO A 43 -2.765 -5.831 15.199 1.00 0.00 C ATOM 638 O PRO A 43 -3.084 -6.259 16.309 1.00 0.00 O ATOM 639 CB PRO A 43 -3.995 -7.481 13.762 1.00 0.00 C ATOM 640 CG PRO A 43 -3.003 -7.908 12.735 1.00 0.00 C ATOM 641 CD PRO A 43 -2.775 -6.710 11.856 1.00 0.00 C ATOM 0 HA PRO A 43 -4.576 -5.406 14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.889 -8.060 14.680 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.016 -7.626 13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.073 -8.232 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.379 -8.751 12.156 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.752 -6.675 11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.432 -6.719 10.986 1.00 0.00 H new ATOM 649 N CYS A 44 -1.616 -5.206 14.968 1.00 0.00 N ATOM 650 CA CYS A 44 -0.641 -4.980 16.028 1.00 0.00 C ATOM 651 C CYS A 44 -0.534 -3.495 16.363 1.00 0.00 C ATOM 652 O CYS A 44 0.372 -3.074 17.080 1.00 0.00 O ATOM 653 CB CYS A 44 0.729 -5.520 15.612 1.00 0.00 C ATOM 654 SG CYS A 44 1.147 -5.220 13.865 1.00 0.00 S ATOM 0 H CYS A 44 -1.337 -4.847 14.055 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.980 -5.511 16.918 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.494 -5.064 16.241 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.758 -6.593 15.802 1.00 0.00 H new ATOM 659 N ASN A 45 -1.468 -2.708 15.838 1.00 0.00 N ATOM 660 CA ASN A 45 -1.479 -1.270 16.081 1.00 0.00 C ATOM 661 C ASN A 45 -0.380 -0.575 15.283 1.00 0.00 C ATOM 662 O ASN A 45 0.430 0.168 15.839 1.00 0.00 O ATOM 663 CB ASN A 45 -1.302 -0.982 17.573 1.00 0.00 C ATOM 664 CG ASN A 45 -1.952 0.323 17.991 1.00 0.00 C ATOM 665 OD1 ASN A 45 -1.294 1.212 18.532 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.251 0.444 17.742 1.00 0.00 N ATOM 0 H ASN A 45 -2.226 -3.041 15.242 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.443 -0.879 15.755 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.731 -1.800 18.152 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.239 -0.947 17.810 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.742 1.299 18.001 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.757 -0.318 17.292 1.00 0.00 H new ATOM 673 N HIS A 46 -0.358 -0.821 13.977 1.00 0.00 N ATOM 674 CA HIS A 46 0.642 -0.218 13.102 1.00 0.00 C ATOM 675 C HIS A 46 0.014 0.224 11.784 1.00 0.00 C ATOM 676 O HIS A 46 -0.806 -0.489 11.207 1.00 0.00 O ATOM 677 CB HIS A 46 1.777 -1.206 12.834 1.00 0.00 C ATOM 678 CG HIS A 46 2.750 -1.323 13.967 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.321 -2.519 14.347 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.253 -0.384 14.802 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.132 -2.311 15.369 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.109 -1.024 15.665 1.00 0.00 N ATOM 0 H HIS A 46 -1.021 -1.433 13.501 1.00 0.00 H new ATOM 0 HA HIS A 46 1.047 0.661 13.604 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.352 -2.188 12.629 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.313 -0.897 11.937 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.024 0.671 14.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.715 -3.065 15.876 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.640 -0.578 16.413 1.00 0.00 H new ATOM 690 N GLU A 47 0.404 1.405 11.315 1.00 0.00 N ATOM 691 CA GLU A 47 -0.123 1.942 10.066 1.00 0.00 C ATOM 692 C GLU A 47 0.752 1.532 8.885 1.00 0.00 C ATOM 693 O GLU A 47 1.971 1.411 9.014 1.00 0.00 O ATOM 694 CB GLU A 47 -0.216 3.468 10.140 1.00 0.00 C ATOM 695 CG GLU A 47 -0.931 3.975 11.381 1.00 0.00 C ATOM 696 CD GLU A 47 -0.242 3.551 12.664 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.897 4.002 12.902 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.843 2.768 13.429 1.00 0.00 O ATOM 0 H GLU A 47 1.082 2.008 11.781 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.121 1.531 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.790 3.886 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.737 3.835 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.987 5.063 11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.956 3.603 11.383 1.00 0.00 H new ATOM 705 N PHE A 48 0.122 1.317 7.735 1.00 0.00 N ATOM 706 CA PHE A 48 0.841 0.918 6.531 1.00 0.00 C ATOM 707 C PHE A 48 0.116 1.402 5.279 1.00 0.00 C ATOM 708 O PHE A 48 -0.997 1.922 5.354 1.00 0.00 O ATOM 709 CB PHE A 48 1.001 -0.603 6.487 1.00 0.00 C ATOM 710 CG PHE A 48 1.817 -1.153 7.621 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.200 -1.182 7.546 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.202 -1.642 8.762 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.955 -1.688 8.588 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.951 -2.148 9.808 1.00 0.00 C ATOM 715 CZ PHE A 48 3.329 -2.172 9.720 1.00 0.00 C ATOM 0 H PHE A 48 -0.886 1.413 7.612 1.00 0.00 H new ATOM 0 HA PHE A 48 1.828 1.379 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.014 -1.065 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.469 -0.884 5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.694 -0.805 6.663 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.125 -1.628 8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.033 -1.705 8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.459 -2.524 10.693 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.916 -2.569 10.535 1.00 0.00 H new ATOM 725 N HIS A 49 0.756 1.226 4.127 1.00 0.00 N ATOM 726 CA HIS A 49 0.173 1.644 2.857 1.00 0.00 C ATOM 727 C HIS A 49 -0.651 0.517 2.241 1.00 0.00 C ATOM 728 O HIS A 49 -0.117 -0.534 1.888 1.00 0.00 O ATOM 729 CB HIS A 49 1.271 2.079 1.886 1.00 0.00 C ATOM 730 CG HIS A 49 1.621 3.531 1.989 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.901 4.011 1.812 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.848 4.612 2.251 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.902 5.324 1.962 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.668 5.713 2.229 1.00 0.00 N ATOM 0 H HIS A 49 1.678 0.797 4.047 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.487 2.490 3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.165 1.484 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.950 1.863 0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.215 4.609 2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.764 5.969 1.880 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.372 6.675 2.392 1.00 0.00 H new ATOM 742 N ALA A 50 -1.955 0.744 2.116 1.00 0.00 N ATOM 743 CA ALA A 50 -2.852 -0.251 1.541 1.00 0.00 C ATOM 744 C ALA A 50 -2.177 -1.004 0.400 1.00 0.00 C ATOM 745 O ALA A 50 -2.489 -2.166 0.138 1.00 0.00 O ATOM 746 CB ALA A 50 -4.133 0.411 1.055 1.00 0.00 C ATOM 0 H ALA A 50 -2.413 1.608 2.405 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.102 -0.972 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.793 -0.344 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.632 0.897 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.893 1.154 0.295 1.00 0.00 H new ATOM 752 N LYS A 51 -1.251 -0.335 -0.279 1.00 0.00 N ATOM 753 CA LYS A 51 -0.531 -0.940 -1.393 1.00 0.00 C ATOM 754 C LYS A 51 0.688 -1.713 -0.898 1.00 0.00 C ATOM 755 O LYS A 51 0.898 -2.866 -1.273 1.00 0.00 O ATOM 756 CB LYS A 51 -0.095 0.136 -2.390 1.00 0.00 C ATOM 757 CG LYS A 51 0.762 1.227 -1.772 1.00 0.00 C ATOM 758 CD LYS A 51 1.133 2.289 -2.793 1.00 0.00 C ATOM 759 CE LYS A 51 0.106 3.410 -2.829 1.00 0.00 C ATOM 760 NZ LYS A 51 -0.969 3.146 -3.826 1.00 0.00 N ATOM 0 H LYS A 51 -0.981 0.628 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.204 -1.638 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.461 -0.335 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.982 0.589 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.224 1.689 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.669 0.787 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.113 2.700 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.212 1.834 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.337 3.529 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.603 4.350 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.968 3.898 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.799 2.228 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.891 3.128 -3.346 1.00 0.00 H new ATOM 774 N CYS A 52 1.486 -1.070 -0.052 1.00 0.00 N ATOM 775 CA CYS A 52 2.684 -1.696 0.495 1.00 0.00 C ATOM 776 C CYS A 52 2.328 -2.955 1.281 1.00 0.00 C ATOM 777 O CYS A 52 2.593 -4.072 0.839 1.00 0.00 O ATOM 778 CB CYS A 52 3.432 -0.713 1.397 1.00 0.00 C ATOM 779 SG CYS A 52 4.083 0.748 0.525 1.00 0.00 S ATOM 0 H CYS A 52 1.325 -0.116 0.270 1.00 0.00 H new ATOM 0 HA CYS A 52 3.329 -1.978 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.761 -0.381 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.260 -1.235 1.878 1.00 0.00 H new ATOM 784 N VAL A 53 1.724 -2.765 2.451 1.00 0.00 N ATOM 785 CA VAL A 53 1.331 -3.884 3.299 1.00 0.00 C ATOM 786 C VAL A 53 0.856 -5.067 2.462 1.00 0.00 C ATOM 787 O VAL A 53 1.132 -6.221 2.787 1.00 0.00 O ATOM 788 CB VAL A 53 0.212 -3.480 4.278 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.135 -3.461 3.571 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.184 -4.421 5.472 1.00 0.00 C ATOM 0 H VAL A 53 1.497 -1.847 2.832 1.00 0.00 H new ATOM 0 HA VAL A 53 2.214 -4.176 3.868 1.00 0.00 H new ATOM 0 HB VAL A 53 0.418 -2.474 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.913 -3.174 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.106 -2.743 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.353 -4.453 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.612 -4.121 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.003 -5.439 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.141 -4.378 5.992 1.00 0.00 H new ATOM 800 N ASP A 54 0.140 -4.771 1.383 1.00 0.00 N ATOM 801 CA ASP A 54 -0.373 -5.810 0.497 1.00 0.00 C ATOM 802 C ASP A 54 0.769 -6.622 -0.106 1.00 0.00 C ATOM 803 O ASP A 54 0.746 -7.853 -0.091 1.00 0.00 O ATOM 804 CB ASP A 54 -1.218 -5.190 -0.617 1.00 0.00 C ATOM 805 CG ASP A 54 -1.968 -6.232 -1.422 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.184 -7.344 -0.899 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.340 -5.934 -2.577 1.00 0.00 O ATOM 0 H ASP A 54 -0.098 -3.820 1.101 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.999 -6.479 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.930 -4.489 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.573 -4.616 -1.282 1.00 0.00 H new ATOM 812 N LYS A 55 1.767 -5.925 -0.638 1.00 0.00 N ATOM 813 CA LYS A 55 2.919 -6.579 -1.247 1.00 0.00 C ATOM 814 C LYS A 55 3.734 -7.331 -0.200 1.00 0.00 C ATOM 815 O LYS A 55 4.167 -8.460 -0.430 1.00 0.00 O ATOM 816 CB LYS A 55 3.803 -5.549 -1.954 1.00 0.00 C ATOM 817 CG LYS A 55 4.854 -6.167 -2.859 1.00 0.00 C ATOM 818 CD LYS A 55 5.737 -5.106 -3.495 1.00 0.00 C ATOM 819 CE LYS A 55 6.961 -4.816 -2.641 1.00 0.00 C ATOM 820 NZ LYS A 55 8.004 -5.869 -2.790 1.00 0.00 N ATOM 0 H LYS A 55 1.801 -4.906 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 55 2.551 -7.297 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.172 -4.886 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.299 -4.933 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.471 -6.857 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.366 -6.751 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.052 -5.438 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.164 -4.190 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.379 -3.849 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.665 -4.744 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.822 -5.635 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.614 -6.788 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.306 -5.921 -3.784 1.00 0.00 H new ATOM 834 N TRP A 56 3.939 -6.698 0.950 1.00 0.00 N ATOM 835 CA TRP A 56 4.701 -7.309 2.033 1.00 0.00 C ATOM 836 C TRP A 56 4.029 -8.589 2.518 1.00 0.00 C ATOM 837 O TRP A 56 4.619 -9.669 2.469 1.00 0.00 O ATOM 838 CB TRP A 56 4.853 -6.326 3.195 1.00 0.00 C ATOM 839 CG TRP A 56 5.581 -6.903 4.370 1.00 0.00 C ATOM 840 CD1 TRP A 56 5.030 -7.550 5.439 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.995 -6.885 4.596 1.00 0.00 C ATOM 842 NE1 TRP A 56 6.016 -7.934 6.316 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.230 -7.539 5.821 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.085 -6.381 3.881 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.510 -7.700 6.345 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.355 -6.542 4.403 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.559 -7.197 5.624 1.00 0.00 C ATOM 0 H TRP A 56 3.588 -5.763 1.156 1.00 0.00 H new ATOM 0 HA TRP A 56 5.689 -7.563 1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.385 -5.441 2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.864 -5.997 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.974 -7.733 5.575 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.868 -8.432 7.193 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.938 -5.875 2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.669 -8.204 7.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.205 -6.156 3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.564 -7.307 6.004 1.00 0.00 H new ATOM 858 N LEU A 57 2.792 -8.461 2.984 1.00 0.00 N ATOM 859 CA LEU A 57 2.038 -9.609 3.478 1.00 0.00 C ATOM 860 C LEU A 57 2.171 -10.796 2.530 1.00 0.00 C ATOM 861 O LEU A 57 2.199 -11.949 2.962 1.00 0.00 O ATOM 862 CB LEU A 57 0.563 -9.241 3.649 1.00 0.00 C ATOM 863 CG LEU A 57 0.239 -8.285 4.797 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.213 -7.838 4.726 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.531 -8.943 6.138 1.00 0.00 C ATOM 0 H LEU A 57 2.289 -7.575 3.030 1.00 0.00 H new ATOM 0 HA LEU A 57 2.449 -9.893 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.211 -8.794 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.005 -10.159 3.796 1.00 0.00 H new ATOM 0 HG LEU A 57 0.874 -7.404 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.425 -7.158 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.390 -7.327 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.865 -8.708 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.294 -8.248 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.078 -9.841 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.586 -9.212 6.189 1.00 0.00 H new ATOM 877 N LYS A 58 2.255 -10.507 1.236 1.00 0.00 N ATOM 878 CA LYS A 58 2.389 -11.550 0.226 1.00 0.00 C ATOM 879 C LYS A 58 3.694 -12.318 0.406 1.00 0.00 C ATOM 880 O LYS A 58 3.732 -13.539 0.258 1.00 0.00 O ATOM 881 CB LYS A 58 2.333 -10.940 -1.177 1.00 0.00 C ATOM 882 CG LYS A 58 0.938 -10.917 -1.776 1.00 0.00 C ATOM 883 CD LYS A 58 0.983 -10.831 -3.292 1.00 0.00 C ATOM 884 CE LYS A 58 1.005 -12.212 -3.929 1.00 0.00 C ATOM 885 NZ LYS A 58 2.393 -12.724 -4.096 1.00 0.00 N ATOM 0 H LYS A 58 2.233 -9.558 0.862 1.00 0.00 H new ATOM 0 HA LYS A 58 1.559 -12.246 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.719 -9.921 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.993 -11.505 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.398 -11.816 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.385 -10.066 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.116 -10.277 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.868 -10.273 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.434 -12.906 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.514 -12.171 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.410 -13.441 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.024 -11.938 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.715 -13.151 -3.204 1.00 0.00 H new ATOM 899 N ALA A 59 4.761 -11.594 0.728 1.00 0.00 N ATOM 900 CA ALA A 59 6.067 -12.209 0.932 1.00 0.00 C ATOM 901 C ALA A 59 6.192 -12.778 2.342 1.00 0.00 C ATOM 902 O ALA A 59 6.627 -13.914 2.526 1.00 0.00 O ATOM 903 CB ALA A 59 7.173 -11.197 0.670 1.00 0.00 C ATOM 0 H ALA A 59 4.747 -10.582 0.853 1.00 0.00 H new ATOM 0 HA ALA A 59 6.168 -13.033 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.143 -11.669 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.104 -10.841 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.065 -10.355 1.354 1.00 0.00 H new ATOM 909 N ASN A 60 5.808 -11.980 3.333 1.00 0.00 N ATOM 910 CA ASN A 60 5.879 -12.405 4.727 1.00 0.00 C ATOM 911 C ASN A 60 4.549 -12.166 5.436 1.00 0.00 C ATOM 912 O ASN A 60 4.007 -11.061 5.404 1.00 0.00 O ATOM 913 CB ASN A 60 6.999 -11.658 5.453 1.00 0.00 C ATOM 914 CG ASN A 60 8.292 -11.644 4.662 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.598 -12.588 3.934 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.060 -10.569 4.802 1.00 0.00 N ATOM 0 H ASN A 60 5.445 -11.037 3.197 1.00 0.00 H new ATOM 0 HA ASN A 60 6.094 -13.474 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.683 -10.633 5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.174 -12.125 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.943 -10.503 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.767 -9.809 5.417 1.00 0.00 H new ATOM 923 N ARG A 61 4.030 -13.208 6.076 1.00 0.00 N ATOM 924 CA ARG A 61 2.764 -13.112 6.793 1.00 0.00 C ATOM 925 C ARG A 61 2.971 -12.519 8.183 1.00 0.00 C ATOM 926 O ARG A 61 2.298 -12.903 9.141 1.00 0.00 O ATOM 927 CB ARG A 61 2.112 -14.491 6.906 1.00 0.00 C ATOM 928 CG ARG A 61 2.004 -15.225 5.580 1.00 0.00 C ATOM 929 CD ARG A 61 0.693 -14.914 4.876 1.00 0.00 C ATOM 930 NE ARG A 61 0.643 -15.486 3.533 1.00 0.00 N ATOM 931 CZ ARG A 61 0.526 -16.787 3.293 1.00 0.00 C ATOM 932 NH1 ARG A 61 0.448 -17.646 4.300 1.00 0.00 N ATOM 933 NH2 ARG A 61 0.488 -17.232 2.044 1.00 0.00 N ATOM 0 H ARG A 61 4.467 -14.129 6.113 1.00 0.00 H new ATOM 0 HA ARG A 61 2.105 -12.452 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.688 -15.100 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.115 -14.378 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.839 -14.943 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.081 -16.299 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.137 -15.303 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.562 -13.834 4.815 1.00 0.00 H new ATOM 0 HE ARG A 61 0.701 -14.852 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.478 -17.308 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.358 -18.645 4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.549 -16.575 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.398 -18.231 1.861 1.00 0.00 H new ATOM 947 N THR A 62 3.906 -11.580 8.288 1.00 0.00 N ATOM 948 CA THR A 62 4.203 -10.935 9.561 1.00 0.00 C ATOM 949 C THR A 62 4.312 -9.424 9.399 1.00 0.00 C ATOM 950 O THR A 62 4.254 -8.902 8.285 1.00 0.00 O ATOM 951 CB THR A 62 5.512 -11.471 10.171 1.00 0.00 C ATOM 952 OG1 THR A 62 6.599 -11.254 9.264 1.00 0.00 O ATOM 953 CG2 THR A 62 5.396 -12.955 10.484 1.00 0.00 C ATOM 0 H THR A 62 4.471 -11.249 7.506 1.00 0.00 H new ATOM 0 HA THR A 62 3.377 -11.167 10.233 1.00 0.00 H new ATOM 0 HB THR A 62 5.701 -10.934 11.100 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.428 -11.596 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.333 -13.311 10.914 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.586 -13.114 11.196 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.186 -13.505 9.567 1.00 0.00 H new ATOM 961 N CYS A 63 4.471 -8.724 10.517 1.00 0.00 N ATOM 962 CA CYS A 63 4.589 -7.271 10.500 1.00 0.00 C ATOM 963 C CYS A 63 6.047 -6.845 10.346 1.00 0.00 C ATOM 964 O CYS A 63 6.923 -7.253 11.109 1.00 0.00 O ATOM 965 CB CYS A 63 4.006 -6.675 11.783 1.00 0.00 C ATOM 966 SG CYS A 63 4.218 -4.872 11.929 1.00 0.00 S ATOM 0 H CYS A 63 4.521 -9.140 11.447 1.00 0.00 H new ATOM 0 HA CYS A 63 4.026 -6.897 9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.943 -6.910 11.829 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.476 -7.156 12.641 1.00 0.00 H new ATOM 971 N PRO A 64 6.314 -6.004 9.335 1.00 0.00 N ATOM 972 CA PRO A 64 7.663 -5.504 9.057 1.00 0.00 C ATOM 973 C PRO A 64 8.152 -4.531 10.125 1.00 0.00 C ATOM 974 O PRO A 64 9.189 -3.887 9.963 1.00 0.00 O ATOM 975 CB PRO A 64 7.506 -4.788 7.714 1.00 0.00 C ATOM 976 CG PRO A 64 6.070 -4.397 7.658 1.00 0.00 C ATOM 977 CD PRO A 64 5.319 -5.477 8.387 1.00 0.00 C ATOM 0 HA PRO A 64 8.400 -6.307 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.156 -3.915 7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.771 -5.442 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.911 -3.426 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.728 -4.312 6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.444 -5.080 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.965 -6.250 7.705 1.00 0.00 H new ATOM 985 N ILE A 65 7.400 -4.431 11.216 1.00 0.00 N ATOM 986 CA ILE A 65 7.759 -3.538 12.311 1.00 0.00 C ATOM 987 C ILE A 65 8.012 -4.318 13.596 1.00 0.00 C ATOM 988 O ILE A 65 9.091 -4.235 14.184 1.00 0.00 O ATOM 989 CB ILE A 65 6.659 -2.491 12.567 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.384 -1.686 11.295 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.062 -1.568 13.708 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.458 -0.510 11.513 1.00 0.00 C ATOM 0 H ILE A 65 6.539 -4.957 11.365 1.00 0.00 H new ATOM 0 HA ILE A 65 8.674 -3.026 12.014 1.00 0.00 H new ATOM 0 HB ILE A 65 5.743 -3.010 12.851 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.330 -1.324 10.892 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.950 -2.346 10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.275 -0.833 13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.212 -2.154 14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.988 -1.054 13.451 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.308 0.015 10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.498 -0.867 11.887 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.900 0.171 12.240 1.00 0.00 H new ATOM 1004 N CYS A 66 7.011 -5.078 14.028 1.00 0.00 N ATOM 1005 CA CYS A 66 7.124 -5.875 15.243 1.00 0.00 C ATOM 1006 C CYS A 66 7.076 -7.366 14.921 1.00 0.00 C ATOM 1007 O CYS A 66 6.771 -8.188 15.786 1.00 0.00 O ATOM 1008 CB CYS A 66 6.002 -5.516 16.219 1.00 0.00 C ATOM 1009 SG CYS A 66 4.328 -5.860 15.588 1.00 0.00 S ATOM 0 H CYS A 66 6.112 -5.158 13.554 1.00 0.00 H new ATOM 0 HA CYS A 66 8.085 -5.652 15.707 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.150 -6.070 17.146 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.075 -4.457 16.466 1.00 0.00 H new ATOM 1014 N ARG A 67 7.380 -7.707 13.673 1.00 0.00 N ATOM 1015 CA ARG A 67 7.370 -9.098 13.237 1.00 0.00 C ATOM 1016 C ARG A 67 6.212 -9.860 13.874 1.00 0.00 C ATOM 1017 O ARG A 67 6.275 -11.077 14.045 1.00 0.00 O ATOM 1018 CB ARG A 67 8.696 -9.775 13.592 1.00 0.00 C ATOM 1019 CG ARG A 67 9.777 -9.584 12.541 1.00 0.00 C ATOM 1020 CD ARG A 67 10.561 -8.302 12.774 1.00 0.00 C ATOM 1021 NE ARG A 67 11.492 -8.023 11.684 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.078 -6.846 11.501 1.00 0.00 C ATOM 1023 NH1 ARG A 67 11.832 -5.843 12.333 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.914 -6.669 10.485 1.00 0.00 N ATOM 0 H ARG A 67 7.636 -7.039 12.946 1.00 0.00 H new ATOM 0 HA ARG A 67 7.240 -9.112 12.155 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.052 -9.381 14.544 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.523 -10.842 13.734 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.457 -10.436 12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.323 -9.559 11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.868 -7.468 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.113 -8.380 13.711 1.00 0.00 H new ATOM 0 HE ARG A 67 11.704 -8.774 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.191 -5.975 13.116 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.284 -4.940 12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.107 -7.438 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.363 -5.764 10.346 1.00 0.00 H new ATOM 1038 N ALA A 68 5.155 -9.134 14.224 1.00 0.00 N ATOM 1039 CA ALA A 68 3.982 -9.742 14.840 1.00 0.00 C ATOM 1040 C ALA A 68 3.099 -10.415 13.795 1.00 0.00 C ATOM 1041 O ALA A 68 2.762 -9.816 12.774 1.00 0.00 O ATOM 1042 CB ALA A 68 3.188 -8.695 15.609 1.00 0.00 C ATOM 0 H ALA A 68 5.087 -8.125 14.092 1.00 0.00 H new ATOM 0 HA ALA A 68 4.324 -10.508 15.536 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.315 -9.162 16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.815 -8.262 16.388 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.865 -7.910 14.926 1.00 0.00 H new ATOM 1048 N ASP A 69 2.729 -11.664 14.057 1.00 0.00 N ATOM 1049 CA ASP A 69 1.884 -12.420 13.139 1.00 0.00 C ATOM 1050 C ASP A 69 0.618 -11.640 12.798 1.00 0.00 C ATOM 1051 O ASP A 69 -0.147 -11.261 13.685 1.00 0.00 O ATOM 1052 CB ASP A 69 1.516 -13.773 13.747 1.00 0.00 C ATOM 1053 CG ASP A 69 0.307 -14.398 13.080 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.304 -14.506 11.836 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.637 -14.780 13.803 1.00 0.00 O ATOM 0 H ASP A 69 3.001 -12.174 14.897 1.00 0.00 H new ATOM 0 HA ASP A 69 2.446 -12.585 12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.366 -14.450 13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.316 -13.647 14.811 1.00 0.00 H new ATOM 1060 N SER A 70 0.405 -11.402 11.508 1.00 0.00 N ATOM 1061 CA SER A 70 -0.766 -10.663 11.050 1.00 0.00 C ATOM 1062 C SER A 70 -1.974 -11.586 10.917 1.00 0.00 C ATOM 1063 O SER A 70 -2.698 -11.540 9.924 1.00 0.00 O ATOM 1064 CB SER A 70 -0.477 -9.987 9.709 1.00 0.00 C ATOM 1065 OG SER A 70 0.706 -9.208 9.775 1.00 0.00 O ATOM 0 H SER A 70 1.028 -11.710 10.761 1.00 0.00 H new ATOM 0 HA SER A 70 -0.995 -9.898 11.792 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.375 -10.744 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.318 -9.353 9.429 1.00 0.00 H new ATOM 0 HG SER A 70 0.706 -8.551 9.048 1.00 0.00 H new ATOM 1071 N GLY A 71 -2.183 -12.426 11.927 1.00 0.00 N ATOM 1072 CA GLY A 71 -3.303 -13.348 11.904 1.00 0.00 C ATOM 1073 C GLY A 71 -3.091 -14.494 10.934 1.00 0.00 C ATOM 1074 O GLY A 71 -1.962 -14.894 10.650 1.00 0.00 O ATOM 0 H GLY A 71 -1.597 -12.484 12.760 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.461 -13.748 12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.209 -12.807 11.630 1.00 0.00 H new ATOM 1078 N PRO A 72 -4.197 -15.042 10.410 1.00 0.00 N ATOM 1079 CA PRO A 72 -4.152 -16.157 9.459 1.00 0.00 C ATOM 1080 C PRO A 72 -3.596 -15.740 8.102 1.00 0.00 C ATOM 1081 O PRO A 72 -3.234 -14.582 7.898 1.00 0.00 O ATOM 1082 CB PRO A 72 -5.620 -16.573 9.331 1.00 0.00 C ATOM 1083 CG PRO A 72 -6.392 -15.346 9.673 1.00 0.00 C ATOM 1084 CD PRO A 72 -5.575 -14.616 10.703 1.00 0.00 C ATOM 0 HA PRO A 72 -3.496 -16.958 9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.848 -16.916 8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.860 -17.393 10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.551 -14.726 8.790 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.377 -15.601 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.689 -13.536 10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.872 -14.886 11.716 1.00 0.00 H new ATOM 1092 N SER A 73 -3.532 -16.692 7.176 1.00 0.00 N ATOM 1093 CA SER A 73 -3.017 -16.423 5.838 1.00 0.00 C ATOM 1094 C SER A 73 -4.145 -16.023 4.892 1.00 0.00 C ATOM 1095 O SER A 73 -4.848 -16.876 4.349 1.00 0.00 O ATOM 1096 CB SER A 73 -2.291 -17.654 5.292 1.00 0.00 C ATOM 1097 OG SER A 73 -1.246 -18.056 6.160 1.00 0.00 O ATOM 0 H SER A 73 -3.830 -17.656 7.328 1.00 0.00 H new ATOM 0 HA SER A 73 -2.312 -15.594 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.000 -18.473 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.884 -17.432 4.306 1.00 0.00 H new ATOM 0 HG SER A 73 -0.904 -18.930 5.878 1.00 0.00 H new ATOM 1103 N SER A 74 -4.313 -14.719 4.699 1.00 0.00 N ATOM 1104 CA SER A 74 -5.357 -14.203 3.822 1.00 0.00 C ATOM 1105 C SER A 74 -4.764 -13.307 2.739 1.00 0.00 C ATOM 1106 O SER A 74 -4.047 -12.351 3.033 1.00 0.00 O ATOM 1107 CB SER A 74 -6.395 -13.425 4.633 1.00 0.00 C ATOM 1108 OG SER A 74 -6.937 -14.225 5.669 1.00 0.00 O ATOM 0 H SER A 74 -3.739 -14.000 5.139 1.00 0.00 H new ATOM 0 HA SER A 74 -5.844 -15.051 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.934 -12.534 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.195 -13.085 3.975 1.00 0.00 H new ATOM 0 HG SER A 74 -7.596 -13.704 6.173 1.00 0.00 H new ATOM 1114 N GLY A 75 -5.069 -13.624 1.484 1.00 0.00 N ATOM 1115 CA GLY A 75 -4.559 -12.838 0.376 1.00 0.00 C ATOM 1116 C GLY A 75 -3.452 -13.550 -0.377 1.00 0.00 C ATOM 1117 O GLY A 75 -3.015 -14.612 0.063 1.00 0.00 O ATOM 0 H GLY A 75 -5.660 -14.411 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.374 -12.612 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.185 -11.886 0.752 1.00 0.00 H new TER 1121 GLY A 75 HETATM 1122 ZN ZN A 201 4.445 2.639 1.795 1.00 0.00 ZN HETATM 1123 ZN ZN A 401 3.377 -4.494 14.092 1.00 0.00 ZN