USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 51:sc= -1.09 USER MOD Set 1.2: A 18 ASN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0259 X(o=-0.026,f=-0.28) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -127:sc= 1.17 (180deg=-0.823!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.906 K(o=-0.91,f=-6.4!) USER MOD Single : A 33 SER OG : rot 69:sc= 0.137 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -47:sc= 0.896 USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.16 (180deg=-0.441) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -42:sc= -0.201! USER MOD Single : A 44 GLN : amide:sc= 0.0817 X(o=0.082,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0.146 (180deg=0.0673) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= -0.177 (180deg=-2.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.761 -10.915 -5.326 1.00 0.00 N ATOM 2 CA GLN A 11 -10.544 -11.565 -4.774 1.00 0.00 C ATOM 3 C GLN A 11 -10.408 -11.302 -3.277 1.00 0.00 C ATOM 4 O GLN A 11 -10.782 -10.235 -2.789 1.00 0.00 O ATOM 5 CB GLN A 11 -9.322 -11.024 -5.520 1.00 0.00 C ATOM 6 CG GLN A 11 -8.155 -11.996 -5.564 1.00 0.00 C ATOM 7 CD GLN A 11 -6.814 -11.306 -5.424 1.00 0.00 C ATOM 8 OE1 GLN A 11 -6.521 -10.343 -6.132 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.990 -11.794 -4.503 1.00 0.00 N ATOM 0 HA GLN A 11 -10.621 -12.644 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.612 -10.772 -6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.996 -10.100 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.267 -12.729 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.180 -12.545 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.273 -12.594 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.074 -11.368 -4.361 1.00 0.00 H new ATOM 18 N ALA A 12 -9.872 -12.280 -2.555 1.00 0.00 N ATOM 19 CA ALA A 12 -9.689 -12.155 -1.113 1.00 0.00 C ATOM 20 C ALA A 12 -8.293 -11.639 -0.780 1.00 0.00 C ATOM 21 O ALA A 12 -7.290 -12.251 -1.148 1.00 0.00 O ATOM 22 CB ALA A 12 -9.936 -13.493 -0.433 1.00 0.00 C ATOM 0 H ALA A 12 -9.556 -13.168 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.414 -11.431 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.796 -13.386 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.955 -13.821 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.234 -14.232 -0.818 1.00 0.00 H new ATOM 28 N CYS A 13 -8.235 -10.508 -0.082 1.00 0.00 N ATOM 29 CA CYS A 13 -6.959 -9.910 0.298 1.00 0.00 C ATOM 30 C CYS A 13 -6.833 -9.831 1.819 1.00 0.00 C ATOM 31 O CYS A 13 -7.829 -9.892 2.540 1.00 0.00 O ATOM 32 CB CYS A 13 -6.824 -8.521 -0.346 1.00 0.00 C ATOM 33 SG CYS A 13 -6.281 -7.179 0.771 1.00 0.00 S ATOM 0 H CYS A 13 -9.055 -9.988 0.231 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.147 -10.539 -0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.116 -8.591 -1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.787 -8.244 -0.775 1.00 0.00 H new ATOM 38 N THR A 14 -5.600 -9.694 2.297 1.00 0.00 N ATOM 39 CA THR A 14 -5.341 -9.606 3.727 1.00 0.00 C ATOM 40 C THR A 14 -4.965 -8.183 4.127 1.00 0.00 C ATOM 41 O THR A 14 -3.934 -7.658 3.703 1.00 0.00 O ATOM 42 CB THR A 14 -4.223 -10.573 4.124 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.039 -10.578 5.529 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.891 -10.241 3.487 1.00 0.00 C ATOM 0 H THR A 14 -4.765 -9.642 1.713 1.00 0.00 H new ATOM 0 HA THR A 14 -6.255 -9.881 4.254 1.00 0.00 H new ATOM 0 HB THR A 14 -4.545 -11.550 3.765 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.902 -10.716 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.143 -10.965 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.987 -10.278 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.582 -9.240 3.790 1.00 0.00 H new ATOM 52 N LEU A 15 -5.806 -7.565 4.948 1.00 0.00 N ATOM 53 CA LEU A 15 -5.564 -6.201 5.411 1.00 0.00 C ATOM 54 C LEU A 15 -4.244 -6.115 6.173 1.00 0.00 C ATOM 55 O LEU A 15 -3.712 -7.131 6.619 1.00 0.00 O ATOM 56 CB LEU A 15 -6.715 -5.737 6.309 1.00 0.00 C ATOM 57 CG LEU A 15 -7.229 -6.788 7.298 1.00 0.00 C ATOM 58 CD1 LEU A 15 -7.490 -6.158 8.658 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.491 -7.453 6.764 1.00 0.00 C ATOM 0 H LEU A 15 -6.663 -7.986 5.308 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.505 -5.549 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.388 -4.861 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.544 -5.419 5.677 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.462 -7.554 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.855 -6.919 9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.565 -5.731 9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.238 -5.372 8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.841 -8.196 7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.264 -6.699 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.272 -7.940 5.814 1.00 0.00 H new ATOM 71 N PRO A 16 -3.698 -4.897 6.342 1.00 0.00 N ATOM 72 CA PRO A 16 -2.438 -4.691 7.061 1.00 0.00 C ATOM 73 C PRO A 16 -2.443 -5.364 8.430 1.00 0.00 C ATOM 74 O PRO A 16 -1.391 -5.706 8.969 1.00 0.00 O ATOM 75 CB PRO A 16 -2.344 -3.163 7.212 1.00 0.00 C ATOM 76 CG PRO A 16 -3.684 -2.634 6.819 1.00 0.00 C ATOM 77 CD PRO A 16 -4.256 -3.631 5.854 1.00 0.00 C ATOM 0 HA PRO A 16 -1.592 -5.125 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.099 -2.885 8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.560 -2.754 6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.329 -2.520 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.595 -1.651 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.346 -3.634 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.954 -3.423 4.828 1.00 0.00 H new ATOM 85 N ASN A 17 -3.636 -5.556 8.985 1.00 0.00 N ATOM 86 CA ASN A 17 -3.781 -6.195 10.289 1.00 0.00 C ATOM 87 C ASN A 17 -3.771 -7.718 10.161 1.00 0.00 C ATOM 88 O ASN A 17 -3.592 -8.430 11.149 1.00 0.00 O ATOM 89 CB ASN A 17 -5.077 -5.736 10.963 1.00 0.00 C ATOM 90 CG ASN A 17 -4.908 -5.522 12.453 1.00 0.00 C ATOM 91 OD1 ASN A 17 -3.970 -4.859 12.896 1.00 0.00 O ATOM 92 ND2 ASN A 17 -5.820 -6.084 13.239 1.00 0.00 N ATOM 0 H ASN A 17 -4.517 -5.278 8.552 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.932 -5.898 10.905 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.415 -4.808 10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.856 -6.479 10.791 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.759 -5.974 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.582 -6.626 12.830 1.00 0.00 H new ATOM 99 N ASN A 18 -3.963 -8.211 8.938 1.00 0.00 N ATOM 100 CA ASN A 18 -3.974 -9.648 8.679 1.00 0.00 C ATOM 101 C ASN A 18 -5.156 -10.319 9.372 1.00 0.00 C ATOM 102 O ASN A 18 -5.029 -10.830 10.484 1.00 0.00 O ATOM 103 CB ASN A 18 -2.662 -10.285 9.144 1.00 0.00 C ATOM 104 CG ASN A 18 -1.645 -10.395 8.025 1.00 0.00 C ATOM 105 OD1 ASN A 18 -0.979 -9.420 7.679 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.521 -11.586 7.453 1.00 0.00 N ATOM 0 H ASN A 18 -4.113 -7.634 8.110 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.077 -9.795 7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.242 -9.693 9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.865 -11.278 9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.853 -11.720 6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.094 -12.367 7.772 1.00 0.00 H new ATOM 113 N ASP A 19 -6.304 -10.319 8.702 1.00 0.00 N ATOM 114 CA ASP A 19 -7.509 -10.932 9.249 1.00 0.00 C ATOM 115 C ASP A 19 -8.437 -11.409 8.134 1.00 0.00 C ATOM 116 O ASP A 19 -9.641 -11.555 8.339 1.00 0.00 O ATOM 117 CB ASP A 19 -8.246 -9.940 10.152 1.00 0.00 C ATOM 118 CG ASP A 19 -7.609 -9.822 11.522 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.477 -10.859 12.206 1.00 0.00 O ATOM 120 OD2 ASP A 19 -7.243 -8.692 11.911 1.00 0.00 O ATOM 0 H ASP A 19 -6.425 -9.901 7.779 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.208 -11.798 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.260 -8.960 9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.284 -10.255 10.263 1.00 0.00 H new ATOM 125 N LYS A 20 -7.869 -11.654 6.956 1.00 0.00 N ATOM 126 CA LYS A 20 -8.647 -12.117 5.811 1.00 0.00 C ATOM 127 C LYS A 20 -9.686 -11.078 5.400 1.00 0.00 C ATOM 128 O LYS A 20 -10.396 -10.529 6.243 1.00 0.00 O ATOM 129 CB LYS A 20 -9.337 -13.442 6.138 1.00 0.00 C ATOM 130 CG LYS A 20 -8.418 -14.468 6.781 1.00 0.00 C ATOM 131 CD LYS A 20 -9.168 -15.347 7.768 1.00 0.00 C ATOM 132 CE LYS A 20 -8.977 -14.867 9.197 1.00 0.00 C ATOM 133 NZ LYS A 20 -9.486 -15.856 10.189 1.00 0.00 N ATOM 0 H LYS A 20 -6.873 -11.540 6.770 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.961 -12.268 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.176 -13.249 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.750 -13.862 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.968 -15.090 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.603 -13.957 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.230 -15.348 7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.819 -16.376 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.918 -14.682 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.494 -13.917 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.337 -15.491 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.502 -16.014 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.975 -16.755 10.077 1.00 0.00 H new ATOM 147 N GLY A 21 -9.770 -10.813 4.101 1.00 0.00 N ATOM 148 CA GLY A 21 -10.727 -9.842 3.606 1.00 0.00 C ATOM 149 C GLY A 21 -10.982 -9.979 2.118 1.00 0.00 C ATOM 150 O GLY A 21 -10.517 -10.926 1.483 1.00 0.00 O ATOM 0 H GLY A 21 -9.194 -11.252 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.668 -9.958 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.361 -8.837 3.817 1.00 0.00 H new ATOM 154 N THR A 22 -11.722 -9.026 1.563 1.00 0.00 N ATOM 155 CA THR A 22 -12.044 -9.029 0.143 1.00 0.00 C ATOM 156 C THR A 22 -11.617 -7.715 -0.497 1.00 0.00 C ATOM 157 O THR A 22 -11.929 -6.647 0.018 1.00 0.00 O ATOM 158 CB THR A 22 -13.545 -9.225 -0.058 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.071 -10.110 0.917 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.903 -9.776 -1.421 1.00 0.00 C ATOM 0 H THR A 22 -12.112 -8.237 2.079 1.00 0.00 H new ATOM 0 HA THR A 22 -11.507 -9.851 -0.329 1.00 0.00 H new ATOM 0 HB THR A 22 -13.979 -8.230 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.034 -10.221 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.985 -9.890 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.557 -9.089 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.426 -10.746 -1.558 1.00 0.00 H new ATOM 168 N CYS A 23 -10.906 -7.793 -1.614 1.00 0.00 N ATOM 169 CA CYS A 23 -10.447 -6.587 -2.292 1.00 0.00 C ATOM 170 C CYS A 23 -11.022 -6.478 -3.699 1.00 0.00 C ATOM 171 O CYS A 23 -10.925 -7.408 -4.501 1.00 0.00 O ATOM 172 CB CYS A 23 -8.922 -6.544 -2.349 1.00 0.00 C ATOM 173 SG CYS A 23 -8.172 -7.858 -3.367 1.00 0.00 S ATOM 0 H CYS A 23 -10.637 -8.667 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.806 -5.736 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.612 -5.575 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.530 -6.618 -1.335 1.00 0.00 H new ATOM 178 N LYS A 24 -11.612 -5.325 -3.985 1.00 0.00 N ATOM 179 CA LYS A 24 -12.204 -5.055 -5.290 1.00 0.00 C ATOM 180 C LYS A 24 -12.017 -3.589 -5.654 1.00 0.00 C ATOM 181 O LYS A 24 -11.616 -2.781 -4.813 1.00 0.00 O ATOM 182 CB LYS A 24 -13.695 -5.413 -5.300 1.00 0.00 C ATOM 183 CG LYS A 24 -14.360 -5.342 -3.931 1.00 0.00 C ATOM 184 CD LYS A 24 -14.377 -3.922 -3.384 1.00 0.00 C ATOM 185 CE LYS A 24 -13.650 -3.821 -2.050 1.00 0.00 C ATOM 186 NZ LYS A 24 -12.546 -2.823 -2.091 1.00 0.00 N ATOM 0 H LYS A 24 -11.694 -4.553 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.699 -5.676 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.215 -4.739 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.813 -6.421 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.381 -5.716 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.831 -5.993 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.910 -3.250 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.409 -3.592 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.360 -3.545 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.246 -4.797 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.664 -3.267 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.422 -2.482 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.779 -2.022 -1.471 1.00 0.00 H new ATOM 200 N SER A 25 -12.308 -3.239 -6.901 1.00 0.00 N ATOM 201 CA SER A 25 -12.168 -1.861 -7.354 1.00 0.00 C ATOM 202 C SER A 25 -12.898 -0.911 -6.412 1.00 0.00 C ATOM 203 O SER A 25 -13.580 -1.347 -5.485 1.00 0.00 O ATOM 204 CB SER A 25 -12.713 -1.708 -8.776 1.00 0.00 C ATOM 205 OG SER A 25 -12.180 -0.556 -9.405 1.00 0.00 O ATOM 0 H SER A 25 -12.641 -3.888 -7.614 1.00 0.00 H new ATOM 0 HA SER A 25 -11.108 -1.608 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.465 -2.593 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.800 -1.640 -8.747 1.00 0.00 H new ATOM 0 HG SER A 25 -12.542 -0.482 -10.313 1.00 0.00 H new ATOM 211 N LEU A 26 -12.752 0.387 -6.651 1.00 0.00 N ATOM 212 CA LEU A 26 -13.403 1.391 -5.817 1.00 0.00 C ATOM 213 C LEU A 26 -14.819 1.685 -6.310 1.00 0.00 C ATOM 214 O LEU A 26 -15.248 2.838 -6.333 1.00 0.00 O ATOM 215 CB LEU A 26 -12.577 2.679 -5.798 1.00 0.00 C ATOM 216 CG LEU A 26 -12.328 3.309 -7.172 1.00 0.00 C ATOM 217 CD1 LEU A 26 -13.030 4.654 -7.282 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.834 3.464 -7.427 1.00 0.00 C ATOM 0 H LEU A 26 -12.191 0.768 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.471 0.994 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.084 3.409 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.615 2.469 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.740 2.645 -7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.840 5.084 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.103 4.517 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.651 5.326 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.677 3.913 -8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.399 4.105 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.356 2.485 -7.396 1.00 0.00 H new ATOM 230 N LEU A 27 -15.541 0.637 -6.703 1.00 0.00 N ATOM 231 CA LEU A 27 -16.906 0.792 -7.192 1.00 0.00 C ATOM 232 C LEU A 27 -17.757 -0.420 -6.824 1.00 0.00 C ATOM 233 O LEU A 27 -18.691 -0.774 -7.543 1.00 0.00 O ATOM 234 CB LEU A 27 -16.907 0.980 -8.712 1.00 0.00 C ATOM 235 CG LEU A 27 -16.285 2.288 -9.206 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.643 2.090 -10.571 1.00 0.00 C ATOM 237 CD2 LEU A 27 -17.335 3.387 -9.263 1.00 0.00 C ATOM 0 H LEU A 27 -15.203 -0.325 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.335 1.676 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.370 0.147 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.936 0.928 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.509 2.590 -8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.206 3.030 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.863 1.332 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.400 1.766 -11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.876 4.311 -9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -18.132 3.093 -9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.750 3.546 -8.268 1.00 0.00 H new ATOM 249 N GLN A 28 -17.429 -1.055 -5.702 1.00 0.00 N ATOM 250 CA GLN A 28 -18.166 -2.228 -5.248 1.00 0.00 C ATOM 251 C GLN A 28 -18.512 -2.126 -3.765 1.00 0.00 C ATOM 252 O GLN A 28 -19.678 -2.220 -3.382 1.00 0.00 O ATOM 253 CB GLN A 28 -17.354 -3.497 -5.504 1.00 0.00 C ATOM 254 CG GLN A 28 -17.417 -3.980 -6.944 1.00 0.00 C ATOM 255 CD GLN A 28 -17.077 -5.450 -7.079 1.00 0.00 C ATOM 256 OE1 GLN A 28 -16.284 -5.990 -6.307 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.675 -6.108 -8.065 1.00 0.00 N ATOM 0 H GLN A 28 -16.660 -0.777 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.096 -2.275 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.314 -3.313 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.716 -4.289 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.418 -3.804 -7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.727 -3.394 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.326 -5.621 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.484 -7.100 -8.206 1.00 0.00 H new ATOM 266 N CYS A 29 -17.490 -1.941 -2.933 1.00 0.00 N ATOM 267 CA CYS A 29 -17.690 -1.835 -1.490 1.00 0.00 C ATOM 268 C CYS A 29 -18.663 -0.710 -1.150 1.00 0.00 C ATOM 269 O CYS A 29 -18.552 0.400 -1.668 1.00 0.00 O ATOM 270 CB CYS A 29 -16.353 -1.601 -0.783 1.00 0.00 C ATOM 271 SG CYS A 29 -16.181 -2.503 0.791 1.00 0.00 S ATOM 0 H CYS A 29 -16.518 -1.862 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.118 -2.775 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.544 -1.897 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.235 -0.534 -0.594 1.00 0.00 H new ATOM 276 N ASP A 30 -19.617 -1.009 -0.273 1.00 0.00 N ATOM 277 CA ASP A 30 -20.613 -0.025 0.140 1.00 0.00 C ATOM 278 C ASP A 30 -19.962 1.104 0.916 1.00 0.00 C ATOM 279 O ASP A 30 -20.242 2.282 0.697 1.00 0.00 O ATOM 280 CB ASP A 30 -21.656 -0.703 1.023 1.00 0.00 C ATOM 281 CG ASP A 30 -21.095 -1.173 2.353 1.00 0.00 C ATOM 282 OD1 ASP A 30 -20.139 -1.978 2.343 1.00 0.00 O ATOM 283 OD2 ASP A 30 -21.612 -0.737 3.403 1.00 0.00 O ATOM 0 H ASP A 30 -19.721 -1.924 0.165 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.085 0.388 -0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.475 -0.008 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.075 -1.557 0.490 1.00 0.00 H new ATOM 288 N VAL A 31 -19.090 0.715 1.822 1.00 0.00 N ATOM 289 CA VAL A 31 -18.366 1.664 2.658 1.00 0.00 C ATOM 290 C VAL A 31 -17.547 2.625 1.805 1.00 0.00 C ATOM 291 O VAL A 31 -17.459 3.815 2.103 1.00 0.00 O ATOM 292 CB VAL A 31 -17.435 0.943 3.656 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.372 0.144 2.917 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.797 1.939 4.610 1.00 0.00 C ATOM 0 H VAL A 31 -18.860 -0.262 2.003 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.110 2.228 3.221 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.035 0.248 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.726 -0.357 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.852 -0.601 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.775 0.816 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.145 1.410 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.212 2.663 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.576 2.459 5.168 1.00 0.00 H new ATOM 304 N ALA A 32 -16.955 2.103 0.741 1.00 0.00 N ATOM 305 CA ALA A 32 -16.153 2.920 -0.158 1.00 0.00 C ATOM 306 C ALA A 32 -17.017 3.967 -0.849 1.00 0.00 C ATOM 307 O ALA A 32 -16.583 5.095 -1.073 1.00 0.00 O ATOM 308 CB ALA A 32 -15.450 2.044 -1.185 1.00 0.00 C ATOM 0 H ALA A 32 -17.015 1.119 0.479 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.396 3.438 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.854 2.669 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.799 1.335 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.193 1.499 -1.768 1.00 0.00 H new ATOM 314 N SER A 33 -18.244 3.581 -1.182 1.00 0.00 N ATOM 315 CA SER A 33 -19.178 4.482 -1.846 1.00 0.00 C ATOM 316 C SER A 33 -19.528 5.665 -0.956 1.00 0.00 C ATOM 317 O SER A 33 -19.544 6.810 -1.407 1.00 0.00 O ATOM 318 CB SER A 33 -20.451 3.731 -2.240 1.00 0.00 C ATOM 319 OG SER A 33 -20.168 2.691 -3.159 1.00 0.00 O ATOM 0 H SER A 33 -18.615 2.648 -1.002 1.00 0.00 H new ATOM 0 HA SER A 33 -18.694 4.863 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.921 3.315 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 33 -21.165 4.426 -2.682 1.00 0.00 H new ATOM 0 HG SER A 33 -19.654 1.988 -2.710 1.00 0.00 H new ATOM 325 N LYS A 34 -19.806 5.387 0.312 1.00 0.00 N ATOM 326 CA LYS A 34 -20.156 6.440 1.258 1.00 0.00 C ATOM 327 C LYS A 34 -19.018 7.449 1.382 1.00 0.00 C ATOM 328 O LYS A 34 -19.255 8.646 1.532 1.00 0.00 O ATOM 329 CB LYS A 34 -20.509 5.846 2.629 1.00 0.00 C ATOM 330 CG LYS A 34 -19.326 5.267 3.388 1.00 0.00 C ATOM 331 CD LYS A 34 -19.394 5.600 4.870 1.00 0.00 C ATOM 332 CE LYS A 34 -19.051 4.396 5.730 1.00 0.00 C ATOM 333 NZ LYS A 34 -18.483 4.797 7.048 1.00 0.00 N ATOM 0 H LYS A 34 -19.796 4.447 0.708 1.00 0.00 H new ATOM 0 HA LYS A 34 -21.035 6.961 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.971 6.622 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.254 5.063 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.304 4.185 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.398 5.657 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.705 6.415 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.395 5.952 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.947 3.796 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.335 3.766 5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.262 3.946 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.614 5.348 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.176 5.377 7.563 1.00 0.00 H new ATOM 347 N ILE A 35 -17.784 6.956 1.298 1.00 0.00 N ATOM 348 CA ILE A 35 -16.606 7.814 1.385 1.00 0.00 C ATOM 349 C ILE A 35 -16.511 8.721 0.163 1.00 0.00 C ATOM 350 O ILE A 35 -16.086 9.873 0.262 1.00 0.00 O ATOM 351 CB ILE A 35 -15.312 6.985 1.505 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.413 6.005 2.674 1.00 0.00 C ATOM 353 CG2 ILE A 35 -14.106 7.899 1.680 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.535 4.781 2.519 1.00 0.00 C ATOM 0 H ILE A 35 -17.575 5.966 1.170 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.715 8.422 2.283 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.181 6.415 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.142 6.522 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.450 5.686 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.202 7.296 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.023 8.561 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.229 8.495 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.659 4.132 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.821 4.240 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.492 5.089 2.443 1.00 0.00 H new ATOM 366 N ILE A 36 -16.914 8.198 -0.987 1.00 0.00 N ATOM 367 CA ILE A 36 -16.883 8.968 -2.223 1.00 0.00 C ATOM 368 C ILE A 36 -17.958 10.052 -2.212 1.00 0.00 C ATOM 369 O ILE A 36 -17.828 11.078 -2.880 1.00 0.00 O ATOM 370 CB ILE A 36 -17.074 8.065 -3.460 1.00 0.00 C ATOM 371 CG1 ILE A 36 -15.953 7.027 -3.537 1.00 0.00 C ATOM 372 CG2 ILE A 36 -17.118 8.899 -4.734 1.00 0.00 C ATOM 373 CD1 ILE A 36 -14.587 7.627 -3.797 1.00 0.00 C ATOM 0 H ILE A 36 -17.265 7.246 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.900 9.435 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.026 7.543 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.923 6.467 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.184 6.314 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.253 8.243 -5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.949 9.602 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.183 9.449 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.842 6.832 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -14.600 8.163 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.335 8.319 -2.993 1.00 0.00 H new ATOM 385 N SER A 37 -19.021 9.817 -1.447 1.00 0.00 N ATOM 386 CA SER A 37 -20.117 10.772 -1.350 1.00 0.00 C ATOM 387 C SER A 37 -19.860 11.796 -0.246 1.00 0.00 C ATOM 388 O SER A 37 -20.223 12.965 -0.377 1.00 0.00 O ATOM 389 CB SER A 37 -21.435 10.042 -1.087 1.00 0.00 C ATOM 390 OG SER A 37 -21.573 9.716 0.285 1.00 0.00 O ATOM 0 H SER A 37 -19.145 8.974 -0.887 1.00 0.00 H new ATOM 0 HA SER A 37 -20.184 11.302 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 37 -22.270 10.668 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.476 9.132 -1.686 1.00 0.00 H new ATOM 0 HG SER A 37 -20.742 9.311 0.610 1.00 0.00 H new ATOM 396 N LYS A 38 -19.238 11.348 0.842 1.00 0.00 N ATOM 397 CA LYS A 38 -18.943 12.234 1.968 1.00 0.00 C ATOM 398 C LYS A 38 -17.883 13.267 1.598 1.00 0.00 C ATOM 399 O LYS A 38 -18.152 14.468 1.594 1.00 0.00 O ATOM 400 CB LYS A 38 -18.495 11.439 3.202 1.00 0.00 C ATOM 401 CG LYS A 38 -17.602 10.261 2.902 1.00 0.00 C ATOM 402 CD LYS A 38 -16.251 10.396 3.588 1.00 0.00 C ATOM 403 CE LYS A 38 -16.277 9.808 4.990 1.00 0.00 C ATOM 404 NZ LYS A 38 -17.151 10.593 5.906 1.00 0.00 N ATOM 0 H LYS A 38 -18.930 10.384 0.969 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.866 12.759 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.970 12.112 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.380 11.082 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.088 9.342 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.457 10.178 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.488 9.891 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.971 11.448 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.631 8.778 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.264 9.780 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.975 10.301 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.941 11.606 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.148 10.420 5.667 1.00 0.00 H new ATOM 418 N LYS A 39 -16.683 12.795 1.289 1.00 0.00 N ATOM 419 CA LYS A 39 -15.586 13.687 0.920 1.00 0.00 C ATOM 420 C LYS A 39 -14.326 12.897 0.566 1.00 0.00 C ATOM 421 O LYS A 39 -13.416 12.767 1.385 1.00 0.00 O ATOM 422 CB LYS A 39 -15.288 14.661 2.063 1.00 0.00 C ATOM 423 CG LYS A 39 -15.783 16.075 1.800 1.00 0.00 C ATOM 424 CD LYS A 39 -14.636 17.020 1.481 1.00 0.00 C ATOM 425 CE LYS A 39 -14.884 18.411 2.038 1.00 0.00 C ATOM 426 NZ LYS A 39 -14.055 18.684 3.245 1.00 0.00 N ATOM 0 H LYS A 39 -16.442 11.804 1.286 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.894 14.251 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.749 14.287 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.212 14.687 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.489 16.065 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.324 16.440 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.710 16.622 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.502 17.079 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.663 19.153 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.939 18.518 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.255 19.643 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.283 17.992 3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.047 18.608 2.999 1.00 0.00 H new ATOM 440 N PRO A 40 -14.256 12.360 -0.664 1.00 0.00 N ATOM 441 CA PRO A 40 -13.103 11.585 -1.123 1.00 0.00 C ATOM 442 C PRO A 40 -11.957 12.474 -1.594 1.00 0.00 C ATOM 443 O PRO A 40 -11.967 13.686 -1.379 1.00 0.00 O ATOM 444 CB PRO A 40 -13.675 10.791 -2.293 1.00 0.00 C ATOM 445 CG PRO A 40 -14.736 11.672 -2.861 1.00 0.00 C ATOM 446 CD PRO A 40 -15.297 12.466 -1.705 1.00 0.00 C ATOM 0 HA PRO A 40 -12.675 10.970 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.907 10.567 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.086 9.837 -1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.324 12.334 -3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.516 11.081 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.479 13.504 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.247 12.057 -1.363 1.00 0.00 H new ATOM 454 N ARG A 41 -10.970 11.862 -2.241 1.00 0.00 N ATOM 455 CA ARG A 41 -9.814 12.595 -2.750 1.00 0.00 C ATOM 456 C ARG A 41 -9.148 13.413 -1.646 1.00 0.00 C ATOM 457 O ARG A 41 -9.534 14.553 -1.388 1.00 0.00 O ATOM 458 CB ARG A 41 -10.234 13.514 -3.897 1.00 0.00 C ATOM 459 CG ARG A 41 -9.158 13.694 -4.957 1.00 0.00 C ATOM 460 CD ARG A 41 -9.739 14.243 -6.251 1.00 0.00 C ATOM 461 NE ARG A 41 -8.907 13.919 -7.407 1.00 0.00 N ATOM 462 CZ ARG A 41 -9.309 14.047 -8.668 1.00 0.00 C ATOM 463 NH1 ARG A 41 -10.532 14.486 -8.941 1.00 0.00 N ATOM 464 NH2 ARG A 41 -8.488 13.733 -9.661 1.00 0.00 N ATOM 0 H ARG A 41 -10.947 10.859 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.091 11.867 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.131 13.109 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.500 14.490 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.389 14.371 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.673 12.737 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.740 13.837 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.843 15.325 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.962 13.574 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.169 14.727 -8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.835 14.582 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.548 13.393 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.797 13.831 -10.628 1.00 0.00 H new ATOM 478 N THR A 42 -8.147 12.824 -1.003 1.00 0.00 N ATOM 479 CA THR A 42 -7.426 13.498 0.069 1.00 0.00 C ATOM 480 C THR A 42 -6.096 12.803 0.348 1.00 0.00 C ATOM 481 O THR A 42 -5.944 11.609 0.088 1.00 0.00 O ATOM 482 CB THR A 42 -8.272 13.532 1.343 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.645 13.679 1.029 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.893 14.653 2.284 1.00 0.00 C ATOM 0 H THR A 42 -7.816 11.881 -1.206 1.00 0.00 H new ATOM 0 HA THR A 42 -7.225 14.520 -0.251 1.00 0.00 H new ATOM 0 HB THR A 42 -8.081 12.582 1.842 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.748 14.342 0.314 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.532 14.619 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.852 14.539 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.022 15.611 1.780 1.00 0.00 H new ATOM 492 N ALA A 43 -5.138 13.556 0.877 1.00 0.00 N ATOM 493 CA ALA A 43 -3.824 13.009 1.190 1.00 0.00 C ATOM 494 C ALA A 43 -3.935 11.832 2.152 1.00 0.00 C ATOM 495 O ALA A 43 -3.162 10.877 2.074 1.00 0.00 O ATOM 496 CB ALA A 43 -2.928 14.089 1.776 1.00 0.00 C ATOM 0 H ALA A 43 -5.247 14.546 1.098 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.379 12.647 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.950 13.666 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.814 14.898 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.377 14.479 2.689 1.00 0.00 H new ATOM 502 N GLN A 44 -4.906 11.905 3.057 1.00 0.00 N ATOM 503 CA GLN A 44 -5.122 10.843 4.032 1.00 0.00 C ATOM 504 C GLN A 44 -5.759 9.628 3.369 1.00 0.00 C ATOM 505 O GLN A 44 -5.474 8.487 3.734 1.00 0.00 O ATOM 506 CB GLN A 44 -6.008 11.341 5.174 1.00 0.00 C ATOM 507 CG GLN A 44 -5.759 10.627 6.494 1.00 0.00 C ATOM 508 CD GLN A 44 -6.958 9.822 6.957 1.00 0.00 C ATOM 509 OE1 GLN A 44 -7.587 10.146 7.964 1.00 0.00 O ATOM 510 NE2 GLN A 44 -7.278 8.762 6.223 1.00 0.00 N ATOM 0 H GLN A 44 -5.555 12.688 3.135 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.154 10.550 4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.842 12.410 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.054 11.214 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.900 9.964 6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.502 11.362 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.729 8.530 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.073 8.180 6.487 1.00 0.00 H new ATOM 519 N ASP A 45 -6.619 9.881 2.391 1.00 0.00 N ATOM 520 CA ASP A 45 -7.293 8.809 1.670 1.00 0.00 C ATOM 521 C ASP A 45 -6.306 8.052 0.789 1.00 0.00 C ATOM 522 O ASP A 45 -6.412 6.837 0.621 1.00 0.00 O ATOM 523 CB ASP A 45 -8.432 9.374 0.818 1.00 0.00 C ATOM 524 CG ASP A 45 -9.775 9.283 1.513 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.800 9.296 2.762 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.804 9.199 0.809 1.00 0.00 O ATOM 0 H ASP A 45 -6.866 10.820 2.079 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.710 8.115 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.220 10.416 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.478 8.833 -0.127 1.00 0.00 H new ATOM 531 N GLU A 46 -5.348 8.782 0.226 1.00 0.00 N ATOM 532 CA GLU A 46 -4.340 8.183 -0.641 1.00 0.00 C ATOM 533 C GLU A 46 -3.435 7.236 0.139 1.00 0.00 C ATOM 534 O GLU A 46 -3.103 6.151 -0.334 1.00 0.00 O ATOM 535 CB GLU A 46 -3.502 9.271 -1.313 1.00 0.00 C ATOM 536 CG GLU A 46 -4.210 9.953 -2.473 1.00 0.00 C ATOM 537 CD GLU A 46 -3.432 11.135 -3.016 1.00 0.00 C ATOM 538 OE1 GLU A 46 -3.443 12.201 -2.367 1.00 0.00 O ATOM 539 OE2 GLU A 46 -2.812 10.995 -4.092 1.00 0.00 O ATOM 0 H GLU A 46 -5.249 9.789 0.355 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.858 7.607 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.233 10.022 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.572 8.831 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.370 9.230 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.194 10.289 -2.146 1.00 0.00 H new ATOM 546 N LYS A 47 -3.043 7.651 1.336 1.00 0.00 N ATOM 547 CA LYS A 47 -2.179 6.831 2.176 1.00 0.00 C ATOM 548 C LYS A 47 -2.921 5.588 2.655 1.00 0.00 C ATOM 549 O LYS A 47 -2.345 4.505 2.749 1.00 0.00 O ATOM 550 CB LYS A 47 -1.672 7.635 3.375 1.00 0.00 C ATOM 551 CG LYS A 47 -2.779 8.294 4.178 1.00 0.00 C ATOM 552 CD LYS A 47 -2.255 8.860 5.488 1.00 0.00 C ATOM 553 CE LYS A 47 -1.189 9.918 5.253 1.00 0.00 C ATOM 554 NZ LYS A 47 -1.755 11.149 4.637 1.00 0.00 N ATOM 0 H LYS A 47 -3.308 8.546 1.746 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.322 6.519 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.103 6.975 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.984 8.403 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.231 9.093 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.564 7.566 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.080 9.293 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.841 8.054 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.714 10.172 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.412 9.512 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.003 11.858 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.156 10.918 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.503 11.532 5.250 1.00 0.00 H new ATOM 568 N PHE A 48 -4.203 5.757 2.959 1.00 0.00 N ATOM 569 CA PHE A 48 -5.030 4.655 3.431 1.00 0.00 C ATOM 570 C PHE A 48 -5.261 3.627 2.330 1.00 0.00 C ATOM 571 O PHE A 48 -5.267 2.423 2.583 1.00 0.00 O ATOM 572 CB PHE A 48 -6.373 5.181 3.944 1.00 0.00 C ATOM 573 CG PHE A 48 -7.055 4.251 4.907 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.524 3.017 4.483 1.00 0.00 C ATOM 575 CD2 PHE A 48 -7.228 4.611 6.233 1.00 0.00 C ATOM 576 CE1 PHE A 48 -8.153 2.161 5.366 1.00 0.00 C ATOM 577 CE2 PHE A 48 -7.856 3.758 7.121 1.00 0.00 C ATOM 578 CZ PHE A 48 -8.319 2.530 6.687 1.00 0.00 C ATOM 0 H PHE A 48 -4.692 6.649 2.886 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.500 4.166 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.215 6.143 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.033 5.359 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.396 2.722 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.868 5.569 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.515 1.203 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.985 4.051 8.153 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.809 1.861 7.379 1.00 0.00 H new ATOM 588 N LEU A 49 -5.450 4.106 1.105 1.00 0.00 N ATOM 589 CA LEU A 49 -5.680 3.217 -0.029 1.00 0.00 C ATOM 590 C LEU A 49 -4.406 2.455 -0.382 1.00 0.00 C ATOM 591 O LEU A 49 -4.455 1.296 -0.792 1.00 0.00 O ATOM 592 CB LEU A 49 -6.190 4.011 -1.240 1.00 0.00 C ATOM 593 CG LEU A 49 -5.112 4.526 -2.199 1.00 0.00 C ATOM 594 CD1 LEU A 49 -4.740 3.452 -3.210 1.00 0.00 C ATOM 595 CD2 LEU A 49 -5.588 5.785 -2.908 1.00 0.00 C ATOM 0 H LEU A 49 -5.449 5.099 0.872 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.444 2.492 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.878 3.379 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.764 4.863 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.223 4.773 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.973 3.836 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.358 2.576 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.622 3.174 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.810 6.137 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.491 5.563 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.804 6.558 -2.171 1.00 0.00 H new ATOM 607 N ARG A 50 -3.266 3.117 -0.213 1.00 0.00 N ATOM 608 CA ARG A 50 -1.976 2.505 -0.508 1.00 0.00 C ATOM 609 C ARG A 50 -1.682 1.369 0.465 1.00 0.00 C ATOM 610 O ARG A 50 -1.111 0.345 0.088 1.00 0.00 O ATOM 611 CB ARG A 50 -0.864 3.555 -0.443 1.00 0.00 C ATOM 612 CG ARG A 50 -0.209 3.832 -1.786 1.00 0.00 C ATOM 613 CD ARG A 50 0.665 5.074 -1.734 1.00 0.00 C ATOM 614 NE ARG A 50 1.012 5.554 -3.070 1.00 0.00 N ATOM 615 CZ ARG A 50 1.452 6.785 -3.323 1.00 0.00 C ATOM 616 NH1 ARG A 50 1.598 7.663 -2.338 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.747 7.140 -4.568 1.00 0.00 N ATOM 0 H ARG A 50 -3.210 4.077 0.127 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.015 2.093 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.276 4.485 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.102 3.222 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.394 2.974 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.978 3.959 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.144 5.862 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.577 4.853 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 50 0.911 4.909 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.373 7.396 -1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.936 8.604 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.636 6.470 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.084 8.083 -4.763 1.00 0.00 H new ATOM 631 N GLU A 51 -2.076 1.560 1.720 1.00 0.00 N ATOM 632 CA GLU A 51 -1.857 0.553 2.751 1.00 0.00 C ATOM 633 C GLU A 51 -2.798 -0.632 2.564 1.00 0.00 C ATOM 634 O GLU A 51 -2.458 -1.766 2.898 1.00 0.00 O ATOM 635 CB GLU A 51 -2.058 1.164 4.140 1.00 0.00 C ATOM 636 CG GLU A 51 -0.840 1.912 4.658 1.00 0.00 C ATOM 637 CD GLU A 51 -0.988 2.335 6.106 1.00 0.00 C ATOM 638 OE1 GLU A 51 -1.955 3.062 6.417 1.00 0.00 O ATOM 639 OE2 GLU A 51 -0.138 1.938 6.931 1.00 0.00 O ATOM 0 H GLU A 51 -2.548 2.403 2.047 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.831 0.196 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.907 1.847 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.313 0.371 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.041 1.278 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.671 2.794 4.041 1.00 0.00 H new ATOM 646 N SER A 52 -3.984 -0.360 2.029 1.00 0.00 N ATOM 647 CA SER A 52 -4.977 -1.403 1.796 1.00 0.00 C ATOM 648 C SER A 52 -5.324 -1.506 0.315 1.00 0.00 C ATOM 649 O SER A 52 -6.497 -1.567 -0.058 1.00 0.00 O ATOM 650 CB SER A 52 -6.240 -1.121 2.613 1.00 0.00 C ATOM 651 OG SER A 52 -5.915 -0.645 3.907 1.00 0.00 O ATOM 0 H SER A 52 -4.281 0.575 1.748 1.00 0.00 H new ATOM 0 HA SER A 52 -4.551 -2.355 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.855 -0.385 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.834 -2.031 2.696 1.00 0.00 H new ATOM 0 HG SER A 52 -6.739 -0.471 4.408 1.00 0.00 H new ATOM 657 N ALA A 53 -4.297 -1.527 -0.530 1.00 0.00 N ATOM 658 CA ALA A 53 -4.494 -1.623 -1.970 1.00 0.00 C ATOM 659 C ALA A 53 -4.224 -3.039 -2.466 1.00 0.00 C ATOM 660 O ALA A 53 -3.275 -3.691 -2.031 1.00 0.00 O ATOM 661 CB ALA A 53 -3.599 -0.628 -2.693 1.00 0.00 C ATOM 0 H ALA A 53 -3.320 -1.479 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.535 -1.382 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.757 -0.711 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.842 0.383 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.556 -0.842 -2.462 1.00 0.00 H new ATOM 667 N CYS A 54 -5.067 -3.510 -3.378 1.00 0.00 N ATOM 668 CA CYS A 54 -4.926 -4.850 -3.935 1.00 0.00 C ATOM 669 C CYS A 54 -4.347 -4.796 -5.344 1.00 0.00 C ATOM 670 O CYS A 54 -4.637 -5.655 -6.176 1.00 0.00 O ATOM 671 CB CYS A 54 -6.282 -5.555 -3.956 1.00 0.00 C ATOM 672 SG CYS A 54 -6.218 -7.316 -3.493 1.00 0.00 S ATOM 0 H CYS A 54 -5.857 -2.982 -3.748 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.239 -5.411 -3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.958 -5.037 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.708 -5.469 -4.956 1.00 0.00 H new ATOM 677 N GLY A 55 -3.532 -3.781 -5.606 1.00 0.00 N ATOM 678 CA GLY A 55 -2.931 -3.638 -6.917 1.00 0.00 C ATOM 679 C GLY A 55 -1.876 -4.690 -7.192 1.00 0.00 C ATOM 680 O GLY A 55 -1.107 -5.058 -6.303 1.00 0.00 O ATOM 0 H GLY A 55 -3.277 -3.056 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.709 -3.701 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.482 -2.648 -7.001 1.00 0.00 H new ATOM 684 N PHE A 56 -1.836 -5.169 -8.428 1.00 0.00 N ATOM 685 CA PHE A 56 -0.868 -6.183 -8.828 1.00 0.00 C ATOM 686 C PHE A 56 -0.325 -5.888 -10.223 1.00 0.00 C ATOM 687 O PHE A 56 0.068 -6.798 -10.955 1.00 0.00 O ATOM 688 CB PHE A 56 -1.508 -7.573 -8.796 1.00 0.00 C ATOM 689 CG PHE A 56 -0.846 -8.516 -7.831 1.00 0.00 C ATOM 690 CD1 PHE A 56 0.235 -9.287 -8.227 1.00 0.00 C ATOM 691 CD2 PHE A 56 -1.307 -8.631 -6.530 1.00 0.00 C ATOM 692 CE1 PHE A 56 0.846 -10.155 -7.341 1.00 0.00 C ATOM 693 CE2 PHE A 56 -0.700 -9.497 -5.639 1.00 0.00 C ATOM 694 CZ PHE A 56 0.378 -10.260 -6.046 1.00 0.00 C ATOM 0 H PHE A 56 -2.465 -4.871 -9.174 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.039 -6.161 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.560 -7.474 -8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.471 -8.004 -9.796 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.604 -9.209 -9.239 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.150 -8.038 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.688 -10.750 -7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.068 -9.577 -4.627 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.854 -10.937 -5.352 1.00 0.00 H new ATOM 704 N ASP A 57 -0.306 -4.608 -10.586 1.00 0.00 N ATOM 705 CA ASP A 57 0.186 -4.188 -11.890 1.00 0.00 C ATOM 706 C ASP A 57 1.077 -2.957 -11.761 1.00 0.00 C ATOM 707 O ASP A 57 2.161 -2.898 -12.342 1.00 0.00 O ATOM 708 CB ASP A 57 -0.988 -3.892 -12.829 1.00 0.00 C ATOM 709 CG ASP A 57 -1.129 -4.933 -13.924 1.00 0.00 C ATOM 710 OD1 ASP A 57 -0.142 -5.166 -14.653 1.00 0.00 O ATOM 711 OD2 ASP A 57 -2.226 -5.515 -14.050 1.00 0.00 O ATOM 0 H ASP A 57 -0.627 -3.844 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 57 0.779 -5.000 -12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.911 -3.850 -12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.850 -2.910 -13.281 1.00 0.00 H new ATOM 716 N GLY A 58 0.613 -1.974 -10.995 1.00 0.00 N ATOM 717 CA GLY A 58 1.380 -0.758 -10.801 1.00 0.00 C ATOM 718 C GLY A 58 0.666 0.471 -11.328 1.00 0.00 C ATOM 719 O GLY A 58 1.302 1.406 -11.813 1.00 0.00 O ATOM 0 H GLY A 58 -0.281 -1.999 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.584 -0.627 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.343 -0.857 -11.301 1.00 0.00 H new ATOM 723 N GLN A 59 -0.662 0.469 -11.233 1.00 0.00 N ATOM 724 CA GLN A 59 -1.463 1.593 -11.705 1.00 0.00 C ATOM 725 C GLN A 59 -2.950 1.342 -11.465 1.00 0.00 C ATOM 726 O GLN A 59 -3.695 2.258 -11.115 1.00 0.00 O ATOM 727 CB GLN A 59 -1.206 1.840 -13.193 1.00 0.00 C ATOM 728 CG GLN A 59 -0.870 3.285 -13.522 1.00 0.00 C ATOM 729 CD GLN A 59 -0.730 3.527 -15.011 1.00 0.00 C ATOM 730 OE1 GLN A 59 0.052 2.861 -15.690 1.00 0.00 O ATOM 731 NE2 GLN A 59 -1.490 4.485 -15.530 1.00 0.00 N ATOM 0 H GLN A 59 -1.204 -0.297 -10.834 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.169 2.479 -11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.386 1.201 -13.522 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.089 1.543 -13.760 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.649 3.935 -13.124 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.060 3.560 -13.024 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.125 5.013 -14.931 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.439 4.693 -16.527 1.00 0.00 H new ATOM 740 N THR A 60 -3.374 0.097 -11.657 1.00 0.00 N ATOM 741 CA THR A 60 -4.771 -0.276 -11.466 1.00 0.00 C ATOM 742 C THR A 60 -5.244 0.073 -10.053 1.00 0.00 C ATOM 743 O THR A 60 -4.720 -0.452 -9.069 1.00 0.00 O ATOM 744 CB THR A 60 -4.958 -1.771 -11.721 1.00 0.00 C ATOM 745 OG1 THR A 60 -6.310 -2.149 -11.526 1.00 0.00 O ATOM 746 CG2 THR A 60 -4.105 -2.645 -10.826 1.00 0.00 C ATOM 0 H THR A 60 -2.769 -0.672 -11.945 1.00 0.00 H new ATOM 0 HA THR A 60 -5.372 0.288 -12.180 1.00 0.00 H new ATOM 0 HB THR A 60 -4.649 -1.926 -12.755 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.409 -3.109 -11.696 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.288 -3.694 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.052 -2.415 -10.989 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.360 -2.457 -9.783 1.00 0.00 H new ATOM 754 N PRO A 61 -6.244 0.968 -9.929 1.00 0.00 N ATOM 755 CA PRO A 61 -6.778 1.376 -8.625 1.00 0.00 C ATOM 756 C PRO A 61 -7.604 0.279 -7.963 1.00 0.00 C ATOM 757 O PRO A 61 -8.661 -0.104 -8.466 1.00 0.00 O ATOM 758 CB PRO A 61 -7.665 2.576 -8.967 1.00 0.00 C ATOM 759 CG PRO A 61 -8.083 2.346 -10.376 1.00 0.00 C ATOM 760 CD PRO A 61 -6.930 1.647 -11.045 1.00 0.00 C ATOM 0 HA PRO A 61 -5.983 1.600 -7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.527 2.634 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.120 3.514 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.986 1.737 -10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.309 3.289 -10.874 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.273 0.936 -11.797 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.271 2.353 -11.551 1.00 0.00 H new ATOM 768 N LYS A 62 -7.116 -0.223 -6.834 1.00 0.00 N ATOM 769 CA LYS A 62 -7.811 -1.277 -6.102 1.00 0.00 C ATOM 770 C LYS A 62 -7.777 -1.012 -4.600 1.00 0.00 C ATOM 771 O LYS A 62 -6.900 -0.305 -4.104 1.00 0.00 O ATOM 772 CB LYS A 62 -7.182 -2.637 -6.407 1.00 0.00 C ATOM 773 CG LYS A 62 -7.759 -3.310 -7.642 1.00 0.00 C ATOM 774 CD LYS A 62 -8.885 -4.265 -7.280 1.00 0.00 C ATOM 775 CE LYS A 62 -9.545 -4.844 -8.521 1.00 0.00 C ATOM 776 NZ LYS A 62 -10.359 -6.051 -8.206 1.00 0.00 N ATOM 0 H LYS A 62 -6.242 0.082 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.852 -1.284 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.108 -2.509 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.320 -3.293 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.131 -2.552 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.971 -3.855 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.493 -5.074 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.630 -3.741 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.181 -4.087 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.779 -5.103 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.218 -6.768 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.064 -6.439 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.365 -5.790 -8.164 1.00 0.00 H new ATOM 790 N VAL A 63 -8.738 -1.585 -3.881 1.00 0.00 N ATOM 791 CA VAL A 63 -8.818 -1.411 -2.434 1.00 0.00 C ATOM 792 C VAL A 63 -9.251 -2.701 -1.746 1.00 0.00 C ATOM 793 O VAL A 63 -9.980 -3.508 -2.321 1.00 0.00 O ATOM 794 CB VAL A 63 -9.803 -0.287 -2.058 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.744 0.000 -0.565 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.509 0.971 -2.861 1.00 0.00 C ATOM 0 H VAL A 63 -9.472 -2.173 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.819 -1.140 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.813 -0.619 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.447 0.796 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.008 -0.901 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.735 0.310 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.214 1.754 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.493 1.307 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.608 0.755 -3.925 1.00 0.00 H new ATOM 806 N CYS A 64 -8.796 -2.889 -0.510 1.00 0.00 N ATOM 807 CA CYS A 64 -9.138 -4.082 0.259 1.00 0.00 C ATOM 808 C CYS A 64 -10.244 -3.780 1.267 1.00 0.00 C ATOM 809 O CYS A 64 -10.141 -2.839 2.054 1.00 0.00 O ATOM 810 CB CYS A 64 -7.903 -4.621 0.984 1.00 0.00 C ATOM 811 SG CYS A 64 -8.019 -6.380 1.447 1.00 0.00 S ATOM 0 H CYS A 64 -8.190 -2.231 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.500 -4.840 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.031 -4.481 0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.737 -4.030 1.885 1.00 0.00 H new ATOM 816 N CYS A 65 -11.302 -4.584 1.234 1.00 0.00 N ATOM 817 CA CYS A 65 -12.430 -4.409 2.138 1.00 0.00 C ATOM 818 C CYS A 65 -12.595 -5.632 3.040 1.00 0.00 C ATOM 819 O CYS A 65 -12.863 -6.732 2.558 1.00 0.00 O ATOM 820 CB CYS A 65 -13.713 -4.178 1.337 1.00 0.00 C ATOM 821 SG CYS A 65 -14.192 -2.426 1.185 1.00 0.00 S ATOM 0 H CYS A 65 -11.400 -5.366 0.587 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.236 -3.539 2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.585 -4.596 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.528 -4.726 1.810 1.00 0.00 H new ATOM 826 N PRO A 66 -12.438 -5.461 4.366 1.00 0.00 N ATOM 827 CA PRO A 66 -12.573 -6.565 5.322 1.00 0.00 C ATOM 828 C PRO A 66 -14.026 -6.997 5.507 1.00 0.00 C ATOM 829 O PRO A 66 -14.566 -6.936 6.612 1.00 0.00 O ATOM 830 CB PRO A 66 -12.019 -5.977 6.620 1.00 0.00 C ATOM 831 CG PRO A 66 -12.260 -4.512 6.499 1.00 0.00 C ATOM 832 CD PRO A 66 -12.115 -4.187 5.038 1.00 0.00 C ATOM 0 HA PRO A 66 -12.051 -7.462 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.525 -6.392 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.957 -6.196 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.254 -4.249 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.544 -3.948 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.794 -3.390 4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.105 -3.853 4.800 1.00 0.00 H new