USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 435 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 25 ASN : amide:sc= 0.0578 X(o=0.058,f=-0.3) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.075 (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 34:sc= 0.226 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.5!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 134:sc= 0.202 (180deg=-0.262) 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.02 K(o=-1,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 34 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.034) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 39:sc= 1.2 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -64:sc= 1.12 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0538 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 58:sc= 0.418 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.917 0.433 -22.539 1.00 0.00 N ATOM 2 CA GLY A 1 32.557 -0.067 -22.469 1.00 0.00 C ATOM 3 C GLY A 1 31.559 1.016 -22.111 1.00 0.00 C ATOM 4 O GLY A 1 31.942 2.131 -21.758 1.00 0.00 O ATOM 0 H1 GLY A 1 34.265 0.356 -23.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.936 1.430 -22.243 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.526 -0.127 -21.909 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.284 -0.505 -23.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.504 -0.865 -21.728 1.00 0.00 H new ATOM 8 N SER A 2 30.274 0.688 -22.202 1.00 0.00 N ATOM 9 CA SER A 2 29.217 1.643 -21.890 1.00 0.00 C ATOM 10 C SER A 2 27.854 0.958 -21.871 1.00 0.00 C ATOM 11 O SER A 2 27.584 0.067 -22.675 1.00 0.00 O ATOM 12 CB SER A 2 29.214 2.783 -22.911 1.00 0.00 C ATOM 13 OG SER A 2 28.047 3.577 -22.784 1.00 0.00 O ATOM 0 H SER A 2 29.940 -0.232 -22.489 1.00 0.00 H new ATOM 0 HA SER A 2 29.412 2.053 -20.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.098 3.405 -22.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.271 2.373 -23.919 1.00 0.00 H new ATOM 0 HG SER A 2 28.069 4.299 -23.446 1.00 0.00 H new ATOM 19 N SER A 3 26.999 1.383 -20.946 1.00 0.00 N ATOM 20 CA SER A 3 25.664 0.809 -20.818 1.00 0.00 C ATOM 21 C SER A 3 24.596 1.822 -21.219 1.00 0.00 C ATOM 22 O SER A 3 24.899 2.980 -21.502 1.00 0.00 O ATOM 23 CB SER A 3 25.424 0.338 -19.383 1.00 0.00 C ATOM 24 OG SER A 3 26.457 -0.531 -18.951 1.00 0.00 O ATOM 0 H SER A 3 27.207 2.122 -20.275 1.00 0.00 H new ATOM 0 HA SER A 3 25.598 -0.047 -21.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.369 1.200 -18.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.464 -0.174 -19.321 1.00 0.00 H new ATOM 0 HG SER A 3 26.281 -0.816 -18.030 1.00 0.00 H new ATOM 30 N GLY A 4 23.344 1.375 -21.241 1.00 0.00 N ATOM 31 CA GLY A 4 22.249 2.254 -21.608 1.00 0.00 C ATOM 32 C GLY A 4 20.907 1.742 -21.124 1.00 0.00 C ATOM 33 O GLY A 4 20.640 0.541 -21.171 1.00 0.00 O ATOM 0 H GLY A 4 23.069 0.420 -21.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.428 3.245 -21.192 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.223 2.364 -22.692 1.00 0.00 H new ATOM 37 N SER A 5 20.061 2.654 -20.657 1.00 0.00 N ATOM 38 CA SER A 5 18.741 2.287 -20.157 1.00 0.00 C ATOM 39 C SER A 5 17.901 3.530 -19.878 1.00 0.00 C ATOM 40 O SER A 5 18.281 4.381 -19.074 1.00 0.00 O ATOM 41 CB SER A 5 18.869 1.447 -18.885 1.00 0.00 C ATOM 42 OG SER A 5 19.592 2.144 -17.885 1.00 0.00 O ATOM 0 H SER A 5 20.266 3.652 -20.614 1.00 0.00 H new ATOM 0 HA SER A 5 18.240 1.696 -20.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.877 1.194 -18.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.373 0.508 -19.115 1.00 0.00 H new ATOM 0 HG SER A 5 19.399 3.103 -17.950 1.00 0.00 H new ATOM 48 N SER A 6 16.757 3.626 -20.548 1.00 0.00 N ATOM 49 CA SER A 6 15.864 4.766 -20.376 1.00 0.00 C ATOM 50 C SER A 6 14.422 4.378 -20.686 1.00 0.00 C ATOM 51 O SER A 6 14.168 3.410 -21.402 1.00 0.00 O ATOM 52 CB SER A 6 16.299 5.922 -21.278 1.00 0.00 C ATOM 53 OG SER A 6 15.748 7.150 -20.834 1.00 0.00 O ATOM 0 H SER A 6 16.427 2.928 -21.215 1.00 0.00 H new ATOM 0 HA SER A 6 15.920 5.086 -19.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.387 5.990 -21.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.982 5.727 -22.303 1.00 0.00 H new ATOM 0 HG SER A 6 16.042 7.874 -21.426 1.00 0.00 H new ATOM 59 N GLY A 7 13.479 5.141 -20.141 1.00 0.00 N ATOM 60 CA GLY A 7 12.074 4.862 -20.370 1.00 0.00 C ATOM 61 C GLY A 7 11.216 5.170 -19.159 1.00 0.00 C ATOM 62 O GLY A 7 11.673 5.051 -18.022 1.00 0.00 O ATOM 0 H GLY A 7 13.664 5.948 -19.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.724 5.450 -21.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.954 3.812 -20.639 1.00 0.00 H new ATOM 66 N GLN A 8 9.972 5.568 -19.402 1.00 0.00 N ATOM 67 CA GLN A 8 9.050 5.895 -18.321 1.00 0.00 C ATOM 68 C GLN A 8 7.624 6.031 -18.844 1.00 0.00 C ATOM 69 O GLN A 8 7.384 6.535 -19.941 1.00 0.00 O ATOM 70 CB GLN A 8 9.479 7.193 -17.633 1.00 0.00 C ATOM 71 CG GLN A 8 9.571 8.380 -18.577 1.00 0.00 C ATOM 72 CD GLN A 8 9.781 9.692 -17.846 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.967 9.715 -16.629 1.00 0.00 O ATOM 74 NE2 GLN A 8 9.752 10.794 -18.586 1.00 0.00 N ATOM 0 H GLN A 8 9.579 5.672 -20.338 1.00 0.00 H new ATOM 0 HA GLN A 8 9.076 5.081 -17.596 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.769 7.425 -16.839 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.449 7.040 -17.159 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.393 8.222 -19.275 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.658 8.440 -19.169 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.595 10.729 -19.592 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.887 11.706 -18.149 1.00 0.00 H new ATOM 83 N PRO A 9 6.653 5.569 -18.042 1.00 0.00 N ATOM 84 CA PRO A 9 5.233 5.628 -18.403 1.00 0.00 C ATOM 85 C PRO A 9 4.693 7.054 -18.400 1.00 0.00 C ATOM 86 O PRO A 9 5.444 8.014 -18.228 1.00 0.00 O ATOM 87 CB PRO A 9 4.555 4.797 -17.311 1.00 0.00 C ATOM 88 CG PRO A 9 5.479 4.877 -16.145 1.00 0.00 C ATOM 89 CD PRO A 9 6.866 4.956 -16.720 1.00 0.00 C ATOM 0 HA PRO A 9 5.053 5.258 -19.413 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.571 5.195 -17.064 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.410 3.765 -17.631 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.260 5.752 -15.533 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.372 4.003 -15.502 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.525 5.562 -16.098 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.323 3.970 -16.803 1.00 0.00 H new ATOM 97 N THR A 10 3.384 7.186 -18.592 1.00 0.00 N ATOM 98 CA THR A 10 2.743 8.495 -18.612 1.00 0.00 C ATOM 99 C THR A 10 1.647 8.587 -17.556 1.00 0.00 C ATOM 100 O THR A 10 0.897 7.636 -17.342 1.00 0.00 O ATOM 101 CB THR A 10 2.135 8.801 -19.994 1.00 0.00 C ATOM 102 OG1 THR A 10 1.237 7.754 -20.378 1.00 0.00 O ATOM 103 CG2 THR A 10 3.226 8.950 -21.044 1.00 0.00 C ATOM 0 H THR A 10 2.747 6.402 -18.736 1.00 0.00 H new ATOM 0 HA THR A 10 3.518 9.230 -18.393 1.00 0.00 H new ATOM 0 HB THR A 10 1.588 9.741 -19.925 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.854 7.958 -21.257 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.773 9.166 -22.012 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.891 9.767 -20.764 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.797 8.024 -21.109 1.00 0.00 H new ATOM 111 N ALA A 11 1.561 9.739 -16.899 1.00 0.00 N ATOM 112 CA ALA A 11 0.555 9.956 -15.867 1.00 0.00 C ATOM 113 C ALA A 11 -0.542 10.894 -16.358 1.00 0.00 C ATOM 114 O ALA A 11 -0.284 12.057 -16.667 1.00 0.00 O ATOM 115 CB ALA A 11 1.203 10.513 -14.608 1.00 0.00 C ATOM 0 H ALA A 11 2.176 10.536 -17.063 1.00 0.00 H new ATOM 0 HA ALA A 11 0.097 8.995 -15.633 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.440 10.670 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.946 9.806 -14.238 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.688 11.462 -14.838 1.00 0.00 H new ATOM 121 N GLN A 12 -1.766 10.380 -16.429 1.00 0.00 N ATOM 122 CA GLN A 12 -2.902 11.172 -16.885 1.00 0.00 C ATOM 123 C GLN A 12 -3.482 11.999 -15.742 1.00 0.00 C ATOM 124 O GLN A 12 -3.768 13.185 -15.905 1.00 0.00 O ATOM 125 CB GLN A 12 -3.982 10.263 -17.472 1.00 0.00 C ATOM 126 CG GLN A 12 -3.527 9.493 -18.702 1.00 0.00 C ATOM 127 CD GLN A 12 -4.264 8.179 -18.873 1.00 0.00 C ATOM 128 OE1 GLN A 12 -3.675 7.104 -18.760 1.00 0.00 O ATOM 129 NE2 GLN A 12 -5.561 8.260 -19.149 1.00 0.00 N ATOM 0 H GLN A 12 -1.996 9.419 -16.177 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.550 11.853 -17.660 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.303 9.555 -16.708 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.851 10.867 -17.733 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.679 10.109 -19.588 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.457 9.298 -18.629 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.008 9.173 -19.234 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.109 7.409 -19.276 1.00 0.00 H new ATOM 138 N GLN A 13 -3.654 11.364 -14.587 1.00 0.00 N ATOM 139 CA GLN A 13 -4.202 12.042 -13.418 1.00 0.00 C ATOM 140 C GLN A 13 -3.150 12.171 -12.321 1.00 0.00 C ATOM 141 O GLN A 13 -2.039 11.660 -12.452 1.00 0.00 O ATOM 142 CB GLN A 13 -5.420 11.284 -12.887 1.00 0.00 C ATOM 143 CG GLN A 13 -5.067 9.991 -12.171 1.00 0.00 C ATOM 144 CD GLN A 13 -4.456 8.958 -13.098 1.00 0.00 C ATOM 145 OE1 GLN A 13 -4.925 8.759 -14.219 1.00 0.00 O ATOM 146 NE2 GLN A 13 -3.404 8.294 -12.634 1.00 0.00 N ATOM 0 H GLN A 13 -3.422 10.382 -14.436 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.510 13.043 -13.720 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.970 11.930 -12.203 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.088 11.059 -13.718 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.368 10.207 -11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.965 9.577 -11.713 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.048 8.491 -11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.951 7.587 -13.213 1.00 0.00 H new ATOM 155 N GLN A 14 -3.510 12.856 -11.241 1.00 0.00 N ATOM 156 CA GLN A 14 -2.596 13.053 -10.122 1.00 0.00 C ATOM 157 C GLN A 14 -3.363 13.189 -8.810 1.00 0.00 C ATOM 158 O GLN A 14 -4.026 14.199 -8.569 1.00 0.00 O ATOM 159 CB GLN A 14 -1.732 14.293 -10.353 1.00 0.00 C ATOM 160 CG GLN A 14 -0.478 14.330 -9.495 1.00 0.00 C ATOM 161 CD GLN A 14 0.469 15.445 -9.892 1.00 0.00 C ATOM 162 OE1 GLN A 14 0.045 16.481 -10.407 1.00 0.00 O ATOM 163 NE2 GLN A 14 1.759 15.240 -9.654 1.00 0.00 N ATOM 0 H GLN A 14 -4.428 13.284 -11.117 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.950 12.177 -10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.445 14.335 -11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.327 15.183 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.761 14.454 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.040 13.374 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.066 14.367 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.443 15.956 -9.900 1.00 0.00 H new ATOM 172 N LEU A 15 -3.268 12.168 -7.966 1.00 0.00 N ATOM 173 CA LEU A 15 -3.953 12.174 -6.678 1.00 0.00 C ATOM 174 C LEU A 15 -3.113 11.477 -5.612 1.00 0.00 C ATOM 175 O LEU A 15 -2.040 10.946 -5.899 1.00 0.00 O ATOM 176 CB LEU A 15 -5.315 11.488 -6.800 1.00 0.00 C ATOM 177 CG LEU A 15 -6.211 11.972 -7.940 1.00 0.00 C ATOM 178 CD1 LEU A 15 -5.919 11.197 -9.215 1.00 0.00 C ATOM 179 CD2 LEU A 15 -7.678 11.840 -7.558 1.00 0.00 C ATOM 0 H LEU A 15 -2.723 11.325 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.101 13.211 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.150 10.418 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.852 11.622 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.997 13.025 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.567 11.556 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.877 11.343 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.104 10.136 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.301 12.189 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.907 10.795 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.879 12.441 -6.671 1.00 0.00 H new ATOM 191 N THR A 16 -3.610 11.481 -4.379 1.00 0.00 N ATOM 192 CA THR A 16 -2.907 10.850 -3.269 1.00 0.00 C ATOM 193 C THR A 16 -2.153 9.608 -3.732 1.00 0.00 C ATOM 194 O THR A 16 -2.751 8.660 -4.241 1.00 0.00 O ATOM 195 CB THR A 16 -3.878 10.456 -2.140 1.00 0.00 C ATOM 196 OG1 THR A 16 -4.553 11.619 -1.647 1.00 0.00 O ATOM 197 CG2 THR A 16 -3.136 9.774 -1.001 1.00 0.00 C ATOM 0 H THR A 16 -4.497 11.915 -4.124 1.00 0.00 H new ATOM 0 HA THR A 16 -2.196 11.583 -2.887 1.00 0.00 H new ATOM 0 HB THR A 16 -4.608 9.757 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.170 11.360 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.843 9.505 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.647 8.874 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.386 10.454 -0.597 1.00 0.00 H new ATOM 205 N LYS A 17 -0.837 9.619 -3.551 1.00 0.00 N ATOM 206 CA LYS A 17 0.000 8.493 -3.947 1.00 0.00 C ATOM 207 C LYS A 17 0.748 7.922 -2.747 1.00 0.00 C ATOM 208 O LYS A 17 1.217 8.651 -1.873 1.00 0.00 O ATOM 209 CB LYS A 17 0.997 8.926 -5.024 1.00 0.00 C ATOM 210 CG LYS A 17 1.960 10.006 -4.562 1.00 0.00 C ATOM 211 CD LYS A 17 1.366 11.394 -4.737 1.00 0.00 C ATOM 212 CE LYS A 17 1.767 12.008 -6.070 1.00 0.00 C ATOM 213 NZ LYS A 17 0.759 11.737 -7.132 1.00 0.00 N ATOM 0 H LYS A 17 -0.327 10.396 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.648 7.716 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.568 8.056 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.447 9.289 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.212 9.846 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.889 9.933 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.279 11.336 -4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.699 12.039 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.889 13.085 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.734 11.609 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.563 12.614 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.129 11.018 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.119 11.390 -6.696 1.00 0.00 H new ATOM 227 N PRO A 18 0.864 6.586 -2.702 1.00 0.00 N ATOM 228 CA PRO A 18 1.556 5.888 -1.615 1.00 0.00 C ATOM 229 C PRO A 18 3.064 6.116 -1.646 1.00 0.00 C ATOM 230 O PRO A 18 3.635 6.408 -2.697 1.00 0.00 O ATOM 231 CB PRO A 18 1.233 4.415 -1.876 1.00 0.00 C ATOM 232 CG PRO A 18 0.960 4.341 -3.339 1.00 0.00 C ATOM 233 CD PRO A 18 0.329 5.655 -3.709 1.00 0.00 C ATOM 0 HA PRO A 18 1.235 6.242 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.067 3.771 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.370 4.090 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.880 4.178 -3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.294 3.509 -3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.598 5.959 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.759 5.603 -3.670 1.00 0.00 H new ATOM 241 N ALA A 19 3.702 5.981 -0.489 1.00 0.00 N ATOM 242 CA ALA A 19 5.144 6.170 -0.385 1.00 0.00 C ATOM 243 C ALA A 19 5.895 4.914 -0.814 1.00 0.00 C ATOM 244 O ALA A 19 6.699 4.946 -1.745 1.00 0.00 O ATOM 245 CB ALA A 19 5.525 6.556 1.037 1.00 0.00 C ATOM 0 H ALA A 19 3.243 5.741 0.390 1.00 0.00 H new ATOM 0 HA ALA A 19 5.429 6.979 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.604 6.694 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.024 7.485 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.220 5.766 1.723 1.00 0.00 H new ATOM 251 N LYS A 20 5.628 3.808 -0.127 1.00 0.00 N ATOM 252 CA LYS A 20 6.277 2.540 -0.437 1.00 0.00 C ATOM 253 C LYS A 20 5.304 1.581 -1.115 1.00 0.00 C ATOM 254 O LYS A 20 4.107 1.857 -1.204 1.00 0.00 O ATOM 255 CB LYS A 20 6.831 1.902 0.840 1.00 0.00 C ATOM 256 CG LYS A 20 5.754 1.475 1.823 1.00 0.00 C ATOM 257 CD LYS A 20 6.248 1.549 3.258 1.00 0.00 C ATOM 258 CE LYS A 20 5.342 0.772 4.200 1.00 0.00 C ATOM 259 NZ LYS A 20 5.645 1.064 5.628 1.00 0.00 N ATOM 0 H LYS A 20 4.966 3.765 0.648 1.00 0.00 H new ATOM 0 HA LYS A 20 7.100 2.740 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.431 1.033 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.498 2.611 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.879 2.114 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.438 0.456 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.261 1.152 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.296 2.591 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.302 1.021 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.457 -0.296 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.006 0.515 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.630 0.802 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.511 2.079 5.811 1.00 0.00 H new ATOM 273 N ILE A 21 5.825 0.455 -1.591 1.00 0.00 N ATOM 274 CA ILE A 21 5.000 -0.544 -2.260 1.00 0.00 C ATOM 275 C ILE A 21 5.139 -1.907 -1.591 1.00 0.00 C ATOM 276 O ILE A 21 6.247 -2.354 -1.289 1.00 0.00 O ATOM 277 CB ILE A 21 5.371 -0.675 -3.749 1.00 0.00 C ATOM 278 CG1 ILE A 21 5.194 0.667 -4.461 1.00 0.00 C ATOM 279 CG2 ILE A 21 4.522 -1.749 -4.413 1.00 0.00 C ATOM 280 CD1 ILE A 21 5.754 0.684 -5.866 1.00 0.00 C ATOM 0 H ILE A 21 6.813 0.212 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 21 3.967 -0.206 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 21 6.418 -0.969 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.133 0.912 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.680 1.447 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.795 -1.830 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.693 -2.705 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.468 -1.482 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.593 1.666 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.822 0.470 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.250 -0.073 -6.468 1.00 0.00 H new ATOM 292 N THR A 22 4.007 -2.566 -1.362 1.00 0.00 N ATOM 293 CA THR A 22 4.002 -3.879 -0.729 1.00 0.00 C ATOM 294 C THR A 22 2.903 -4.764 -1.308 1.00 0.00 C ATOM 295 O THR A 22 2.001 -4.282 -1.994 1.00 0.00 O ATOM 296 CB THR A 22 3.807 -3.768 0.795 1.00 0.00 C ATOM 297 OG1 THR A 22 2.751 -2.846 1.087 1.00 0.00 O ATOM 298 CG2 THR A 22 5.089 -3.310 1.472 1.00 0.00 C ATOM 0 H THR A 22 3.082 -2.212 -1.606 1.00 0.00 H new ATOM 0 HA THR A 22 4.973 -4.331 -0.931 1.00 0.00 H new ATOM 0 HB THR A 22 3.545 -4.754 1.179 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.632 -2.782 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.927 -3.239 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.883 -4.029 1.271 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.377 -2.333 1.083 1.00 0.00 H new ATOM 306 N CYS A 23 2.984 -6.060 -1.026 1.00 0.00 N ATOM 307 CA CYS A 23 1.996 -7.013 -1.518 1.00 0.00 C ATOM 308 C CYS A 23 0.648 -6.801 -0.835 1.00 0.00 C ATOM 309 O CYS A 23 0.582 -6.575 0.373 1.00 0.00 O ATOM 310 CB CYS A 23 2.479 -8.446 -1.285 1.00 0.00 C ATOM 311 SG CYS A 23 1.310 -9.725 -1.848 1.00 0.00 S ATOM 0 H CYS A 23 3.724 -6.475 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 23 1.871 -6.848 -2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.430 -8.586 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.669 -8.586 -0.221 1.00 0.00 H new ATOM 316 N ALA A 24 -0.424 -6.875 -1.617 1.00 0.00 N ATOM 317 CA ALA A 24 -1.769 -6.693 -1.088 1.00 0.00 C ATOM 318 C ALA A 24 -2.297 -7.986 -0.474 1.00 0.00 C ATOM 319 O ALA A 24 -3.506 -8.176 -0.347 1.00 0.00 O ATOM 320 CB ALA A 24 -2.706 -6.206 -2.183 1.00 0.00 C ATOM 0 H ALA A 24 -0.386 -7.060 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.724 -5.939 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.707 -6.074 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.346 -5.254 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.737 -6.940 -2.988 1.00 0.00 H new ATOM 326 N ASN A 25 -1.382 -8.872 -0.096 1.00 0.00 N ATOM 327 CA ASN A 25 -1.755 -10.148 0.504 1.00 0.00 C ATOM 328 C ASN A 25 -0.911 -10.436 1.741 1.00 0.00 C ATOM 329 O ASN A 25 -1.438 -10.589 2.844 1.00 0.00 O ATOM 330 CB ASN A 25 -1.593 -11.280 -0.513 1.00 0.00 C ATOM 331 CG ASN A 25 -2.404 -12.508 -0.147 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.611 -12.561 -0.380 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.741 -13.503 0.432 1.00 0.00 N ATOM 0 H ASN A 25 -0.377 -8.730 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.800 -10.087 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.899 -10.926 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.540 -11.552 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.233 -14.354 0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.740 -13.415 0.606 1.00 0.00 H new ATOM 340 N CYS A 26 0.402 -10.509 1.551 1.00 0.00 N ATOM 341 CA CYS A 26 1.321 -10.778 2.650 1.00 0.00 C ATOM 342 C CYS A 26 1.879 -9.479 3.223 1.00 0.00 C ATOM 343 O CYS A 26 2.432 -9.459 4.323 1.00 0.00 O ATOM 344 CB CYS A 26 2.467 -11.674 2.177 1.00 0.00 C ATOM 345 SG CYS A 26 3.372 -11.024 0.735 1.00 0.00 S ATOM 0 H CYS A 26 0.854 -10.385 0.645 1.00 0.00 H new ATOM 0 HA CYS A 26 0.767 -11.292 3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.168 -11.814 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.067 -12.657 1.929 1.00 0.00 H new ATOM 350 N LYS A 27 1.730 -8.395 2.470 1.00 0.00 N ATOM 351 CA LYS A 27 2.218 -7.090 2.901 1.00 0.00 C ATOM 352 C LYS A 27 3.739 -7.085 3.009 1.00 0.00 C ATOM 353 O LYS A 27 4.301 -6.611 3.996 1.00 0.00 O ATOM 354 CB LYS A 27 1.599 -6.712 4.249 1.00 0.00 C ATOM 355 CG LYS A 27 0.081 -6.681 4.234 1.00 0.00 C ATOM 356 CD LYS A 27 -0.446 -5.509 3.424 1.00 0.00 C ATOM 357 CE LYS A 27 -0.282 -4.195 4.173 1.00 0.00 C ATOM 358 NZ LYS A 27 -1.392 -3.965 5.139 1.00 0.00 N ATOM 0 H LYS A 27 1.275 -8.394 1.557 1.00 0.00 H new ATOM 0 HA LYS A 27 1.923 -6.354 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.932 -7.424 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.971 -5.732 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.298 -7.613 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.292 -6.615 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.084 -5.455 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.499 -5.669 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.669 -4.197 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.245 -3.372 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.244 -3.060 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.297 -3.938 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.411 -4.737 5.836 1.00 0.00 H new ATOM 372 N LYS A 28 4.402 -7.616 1.987 1.00 0.00 N ATOM 373 CA LYS A 28 5.859 -7.671 1.964 1.00 0.00 C ATOM 374 C LYS A 28 6.437 -6.479 1.209 1.00 0.00 C ATOM 375 O LYS A 28 5.854 -5.982 0.245 1.00 0.00 O ATOM 376 CB LYS A 28 6.330 -8.976 1.317 1.00 0.00 C ATOM 377 CG LYS A 28 6.513 -10.114 2.306 1.00 0.00 C ATOM 378 CD LYS A 28 6.737 -11.438 1.597 1.00 0.00 C ATOM 379 CE LYS A 28 8.164 -11.562 1.084 1.00 0.00 C ATOM 380 NZ LYS A 28 8.456 -12.932 0.580 1.00 0.00 N ATOM 0 H LYS A 28 3.953 -8.015 1.163 1.00 0.00 H new ATOM 0 HA LYS A 28 6.216 -7.633 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.607 -9.277 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.275 -8.797 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.362 -9.900 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.633 -10.187 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.523 -12.259 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.041 -11.528 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.326 -10.839 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.860 -11.314 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.438 -12.975 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.326 -13.620 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.809 -13.160 -0.201 1.00 0.00 H new ATOM 394 N PRO A 29 7.611 -6.008 1.655 1.00 0.00 N ATOM 395 CA PRO A 29 8.294 -4.869 1.034 1.00 0.00 C ATOM 396 C PRO A 29 8.843 -5.206 -0.348 1.00 0.00 C ATOM 397 O PRO A 29 9.930 -5.770 -0.475 1.00 0.00 O ATOM 398 CB PRO A 29 9.439 -4.569 2.005 1.00 0.00 C ATOM 399 CG PRO A 29 9.695 -5.863 2.699 1.00 0.00 C ATOM 400 CD PRO A 29 8.362 -6.550 2.799 1.00 0.00 C ATOM 0 HA PRO A 29 7.620 -4.027 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.326 -4.221 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.163 -3.788 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.407 -6.471 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.124 -5.698 3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.463 -7.633 2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.867 -6.330 3.745 1.00 0.00 H new ATOM 408 N LEU A 30 8.085 -4.857 -1.382 1.00 0.00 N ATOM 409 CA LEU A 30 8.496 -5.122 -2.756 1.00 0.00 C ATOM 410 C LEU A 30 9.459 -4.049 -3.253 1.00 0.00 C ATOM 411 O LEU A 30 9.079 -2.890 -3.418 1.00 0.00 O ATOM 412 CB LEU A 30 7.272 -5.188 -3.672 1.00 0.00 C ATOM 413 CG LEU A 30 6.094 -6.018 -3.159 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.796 -5.557 -3.802 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.328 -7.498 -3.426 1.00 0.00 C ATOM 0 H LEU A 30 7.182 -4.390 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 30 9.010 -6.083 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.923 -4.171 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.585 -5.593 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 30 6.013 -5.872 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.969 -6.159 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.622 -4.509 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.865 -5.672 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.480 -8.073 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.436 -7.662 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.236 -7.820 -2.917 1.00 0.00 H new ATOM 427 N GLN A 31 10.705 -4.444 -3.491 1.00 0.00 N ATOM 428 CA GLN A 31 11.722 -3.515 -3.971 1.00 0.00 C ATOM 429 C GLN A 31 11.210 -2.717 -5.166 1.00 0.00 C ATOM 430 O GLN A 31 10.207 -3.077 -5.782 1.00 0.00 O ATOM 431 CB GLN A 31 12.994 -4.273 -4.356 1.00 0.00 C ATOM 432 CG GLN A 31 13.686 -4.939 -3.177 1.00 0.00 C ATOM 433 CD GLN A 31 14.193 -3.938 -2.158 1.00 0.00 C ATOM 434 OE1 GLN A 31 13.987 -2.732 -2.298 1.00 0.00 O ATOM 435 NE2 GLN A 31 14.860 -4.434 -1.122 1.00 0.00 N ATOM 0 H GLN A 31 11.035 -5.400 -3.360 1.00 0.00 H new ATOM 0 HA GLN A 31 11.952 -2.819 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.744 -5.033 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.689 -3.581 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.991 -5.625 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.522 -5.536 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.008 -5.440 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.224 -3.809 -0.403 1.00 0.00 H new ATOM 444 N LYS A 32 11.906 -1.632 -5.487 1.00 0.00 N ATOM 445 CA LYS A 32 11.523 -0.782 -6.609 1.00 0.00 C ATOM 446 C LYS A 32 12.100 -1.314 -7.916 1.00 0.00 C ATOM 447 O LYS A 32 13.150 -0.864 -8.372 1.00 0.00 O ATOM 448 CB LYS A 32 12.002 0.653 -6.374 1.00 0.00 C ATOM 449 CG LYS A 32 11.461 1.274 -5.098 1.00 0.00 C ATOM 450 CD LYS A 32 10.010 1.695 -5.254 1.00 0.00 C ATOM 451 CE LYS A 32 9.269 1.646 -3.926 1.00 0.00 C ATOM 452 NZ LYS A 32 9.398 2.923 -3.172 1.00 0.00 N ATOM 0 H LYS A 32 12.738 -1.320 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 32 10.436 -0.788 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.091 0.662 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.705 1.270 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.547 0.559 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.065 2.141 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.965 2.706 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.515 1.041 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.215 1.435 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.659 0.827 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.952 2.821 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.405 3.155 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.927 3.686 -3.699 1.00 0.00 H new ATOM 466 N GLY A 33 11.405 -2.276 -8.517 1.00 0.00 N ATOM 467 CA GLY A 33 11.863 -2.852 -9.767 1.00 0.00 C ATOM 468 C GLY A 33 11.415 -4.290 -9.941 1.00 0.00 C ATOM 469 O GLY A 33 11.051 -4.703 -11.042 1.00 0.00 O ATOM 0 H GLY A 33 10.533 -2.666 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.488 -2.255 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.951 -2.806 -9.807 1.00 0.00 H new ATOM 473 N GLN A 34 11.442 -5.053 -8.854 1.00 0.00 N ATOM 474 CA GLN A 34 11.037 -6.453 -8.893 1.00 0.00 C ATOM 475 C GLN A 34 9.685 -6.610 -9.580 1.00 0.00 C ATOM 476 O GLN A 34 8.813 -5.748 -9.464 1.00 0.00 O ATOM 477 CB GLN A 34 10.972 -7.027 -7.476 1.00 0.00 C ATOM 478 CG GLN A 34 12.314 -7.042 -6.763 1.00 0.00 C ATOM 479 CD GLN A 34 13.284 -8.039 -7.366 1.00 0.00 C ATOM 480 OE1 GLN A 34 13.080 -9.250 -7.281 1.00 0.00 O ATOM 481 NE2 GLN A 34 14.348 -7.534 -7.980 1.00 0.00 N ATOM 0 H GLN A 34 11.740 -4.726 -7.935 1.00 0.00 H new ATOM 0 HA GLN A 34 11.782 -7.004 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.264 -6.442 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.583 -8.044 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.753 -6.045 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.160 -7.282 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.478 -6.523 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.035 -8.157 -8.404 1.00 0.00 H new ATOM 490 N THR A 35 9.516 -7.716 -10.299 1.00 0.00 N ATOM 491 CA THR A 35 8.271 -7.985 -11.007 1.00 0.00 C ATOM 492 C THR A 35 7.147 -8.323 -10.034 1.00 0.00 C ATOM 493 O THR A 35 7.367 -8.998 -9.029 1.00 0.00 O ATOM 494 CB THR A 35 8.434 -9.143 -12.009 1.00 0.00 C ATOM 495 OG1 THR A 35 9.417 -8.806 -12.993 1.00 0.00 O ATOM 496 CG2 THR A 35 7.111 -9.457 -12.693 1.00 0.00 C ATOM 0 H THR A 35 10.227 -8.440 -10.406 1.00 0.00 H new ATOM 0 HA THR A 35 8.014 -7.077 -11.552 1.00 0.00 H new ATOM 0 HB THR A 35 8.760 -10.026 -11.459 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.515 -9.549 -13.625 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.251 -10.278 -13.396 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.373 -9.743 -11.944 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.761 -8.575 -13.230 1.00 0.00 H new ATOM 504 N ALA A 36 5.944 -7.850 -10.339 1.00 0.00 N ATOM 505 CA ALA A 36 4.785 -8.105 -9.493 1.00 0.00 C ATOM 506 C ALA A 36 3.607 -8.616 -10.314 1.00 0.00 C ATOM 507 O ALA A 36 3.547 -8.411 -11.527 1.00 0.00 O ATOM 508 CB ALA A 36 4.396 -6.843 -8.737 1.00 0.00 C ATOM 0 H ALA A 36 5.746 -7.287 -11.167 1.00 0.00 H new ATOM 0 HA ALA A 36 5.055 -8.878 -8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.529 -7.048 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.229 -6.522 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.151 -6.054 -9.448 1.00 0.00 H new ATOM 514 N TYR A 37 2.671 -9.283 -9.647 1.00 0.00 N ATOM 515 CA TYR A 37 1.496 -9.826 -10.317 1.00 0.00 C ATOM 516 C TYR A 37 0.286 -8.919 -10.116 1.00 0.00 C ATOM 517 O TYR A 37 -0.050 -8.555 -8.989 1.00 0.00 O ATOM 518 CB TYR A 37 1.187 -11.230 -9.792 1.00 0.00 C ATOM 519 CG TYR A 37 2.264 -12.243 -10.105 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.560 -12.078 -9.631 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.987 -13.366 -10.875 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.548 -13.001 -9.915 1.00 0.00 C ATOM 523 CE2 TYR A 37 2.968 -14.295 -11.163 1.00 0.00 C ATOM 524 CZ TYR A 37 4.246 -14.108 -10.680 1.00 0.00 C ATOM 525 OH TYR A 37 5.227 -15.031 -10.966 1.00 0.00 O ATOM 0 H TYR A 37 2.704 -9.460 -8.643 1.00 0.00 H new ATOM 0 HA TYR A 37 1.712 -9.883 -11.384 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.047 -11.182 -8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.244 -11.570 -10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.799 -11.213 -9.030 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.987 -13.515 -11.255 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.551 -12.857 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.735 -15.162 -11.763 1.00 0.00 H new ATOM 0 HH TYR A 37 4.849 -15.751 -11.514 1.00 0.00 H new ATOM 535 N GLN A 38 -0.364 -8.558 -11.218 1.00 0.00 N ATOM 536 CA GLN A 38 -1.537 -7.693 -11.163 1.00 0.00 C ATOM 537 C GLN A 38 -2.633 -8.204 -12.092 1.00 0.00 C ATOM 538 O GLN A 38 -2.381 -8.508 -13.258 1.00 0.00 O ATOM 539 CB GLN A 38 -1.158 -6.260 -11.542 1.00 0.00 C ATOM 540 CG GLN A 38 -2.112 -5.213 -10.991 1.00 0.00 C ATOM 541 CD GLN A 38 -1.901 -3.847 -11.614 1.00 0.00 C ATOM 542 OE1 GLN A 38 -0.768 -3.397 -11.784 1.00 0.00 O ATOM 543 NE2 GLN A 38 -2.996 -3.178 -11.959 1.00 0.00 N ATOM 0 H GLN A 38 -0.099 -8.851 -12.158 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.917 -7.703 -10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.152 -6.051 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.128 -6.176 -12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.139 -5.534 -11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.981 -5.140 -9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.916 -3.589 -11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.917 -2.254 -12.383 1.00 0.00 H new ATOM 552 N ARG A 39 -3.851 -8.295 -11.567 1.00 0.00 N ATOM 553 CA ARG A 39 -4.986 -8.771 -12.349 1.00 0.00 C ATOM 554 C ARG A 39 -5.434 -7.714 -13.355 1.00 0.00 C ATOM 555 O ARG A 39 -4.903 -6.604 -13.384 1.00 0.00 O ATOM 556 CB ARG A 39 -6.150 -9.138 -11.427 1.00 0.00 C ATOM 557 CG ARG A 39 -6.089 -10.566 -10.909 1.00 0.00 C ATOM 558 CD ARG A 39 -7.474 -11.097 -10.574 1.00 0.00 C ATOM 559 NE ARG A 39 -8.148 -11.645 -11.748 1.00 0.00 N ATOM 560 CZ ARG A 39 -9.112 -12.557 -11.682 1.00 0.00 C ATOM 561 NH1 ARG A 39 -9.512 -13.020 -10.506 1.00 0.00 N ATOM 562 NH2 ARG A 39 -9.677 -13.008 -12.795 1.00 0.00 N ATOM 0 H ARG A 39 -4.077 -8.046 -10.604 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.671 -9.659 -12.896 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.161 -8.453 -10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.087 -8.995 -11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.624 -11.206 -11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.458 -10.605 -10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.391 -11.870 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.078 -10.294 -10.151 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.863 -11.310 -12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.080 -12.676 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.252 -13.720 -10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.371 -12.655 -13.702 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.417 -13.708 -12.744 1.00 0.00 H new ATOM 576 N LYS A 40 -6.415 -8.068 -14.179 1.00 0.00 N ATOM 577 CA LYS A 40 -6.936 -7.151 -15.187 1.00 0.00 C ATOM 578 C LYS A 40 -8.015 -6.250 -14.596 1.00 0.00 C ATOM 579 O LYS A 40 -7.930 -5.026 -14.679 1.00 0.00 O ATOM 580 CB LYS A 40 -7.502 -7.934 -16.373 1.00 0.00 C ATOM 581 CG LYS A 40 -6.436 -8.479 -17.308 1.00 0.00 C ATOM 582 CD LYS A 40 -7.050 -9.233 -18.475 1.00 0.00 C ATOM 583 CE LYS A 40 -5.983 -9.894 -19.334 1.00 0.00 C ATOM 584 NZ LYS A 40 -5.497 -11.167 -18.734 1.00 0.00 N ATOM 0 H LYS A 40 -6.865 -8.983 -14.169 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.114 -6.524 -15.533 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.102 -8.763 -15.997 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.172 -7.286 -16.938 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.827 -7.657 -17.685 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.770 -9.142 -16.755 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.737 -9.991 -18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.636 -8.546 -19.085 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.387 -10.092 -20.327 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.144 -9.210 -19.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.771 -11.586 -19.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.088 -10.975 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.292 -11.830 -18.635 1.00 0.00 H new ATOM 598 N GLY A 41 -9.031 -6.865 -13.997 1.00 0.00 N ATOM 599 CA GLY A 41 -10.112 -6.103 -13.400 1.00 0.00 C ATOM 600 C GLY A 41 -9.857 -5.781 -11.941 1.00 0.00 C ATOM 601 O GLY A 41 -10.692 -6.062 -11.081 1.00 0.00 O ATOM 0 H GLY A 41 -9.124 -7.877 -13.915 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.248 -5.175 -13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.041 -6.666 -13.488 1.00 0.00 H new ATOM 605 N SER A 42 -8.700 -5.191 -11.660 1.00 0.00 N ATOM 606 CA SER A 42 -8.335 -4.835 -10.294 1.00 0.00 C ATOM 607 C SER A 42 -7.114 -3.921 -10.279 1.00 0.00 C ATOM 608 O SER A 42 -6.255 -3.999 -11.157 1.00 0.00 O ATOM 609 CB SER A 42 -8.053 -6.096 -9.475 1.00 0.00 C ATOM 610 OG SER A 42 -9.242 -6.602 -8.893 1.00 0.00 O ATOM 0 H SER A 42 -7.999 -4.949 -12.360 1.00 0.00 H new ATOM 0 HA SER A 42 -9.173 -4.300 -9.847 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.605 -6.856 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.328 -5.871 -8.692 1.00 0.00 H new ATOM 0 HG SER A 42 -9.981 -6.515 -9.531 1.00 0.00 H new ATOM 616 N ALA A 43 -7.044 -3.054 -9.274 1.00 0.00 N ATOM 617 CA ALA A 43 -5.928 -2.126 -9.142 1.00 0.00 C ATOM 618 C ALA A 43 -5.063 -2.475 -7.936 1.00 0.00 C ATOM 619 O ALA A 43 -4.638 -1.595 -7.187 1.00 0.00 O ATOM 620 CB ALA A 43 -6.440 -0.697 -9.030 1.00 0.00 C ATOM 0 H ALA A 43 -7.747 -2.975 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.310 -2.211 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.596 -0.015 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.010 -0.443 -9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.082 -0.608 -8.154 1.00 0.00 H new ATOM 626 N HIS A 44 -4.806 -3.767 -7.752 1.00 0.00 N ATOM 627 CA HIS A 44 -3.991 -4.233 -6.635 1.00 0.00 C ATOM 628 C HIS A 44 -2.800 -5.045 -7.134 1.00 0.00 C ATOM 629 O HIS A 44 -2.924 -5.838 -8.069 1.00 0.00 O ATOM 630 CB HIS A 44 -4.834 -5.077 -5.679 1.00 0.00 C ATOM 631 CG HIS A 44 -5.958 -4.318 -5.042 1.00 0.00 C ATOM 632 ND1 HIS A 44 -7.231 -4.830 -4.908 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.993 -3.079 -4.499 1.00 0.00 C ATOM 634 CE1 HIS A 44 -8.002 -3.938 -4.312 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.275 -2.866 -4.053 1.00 0.00 N ATOM 0 H HIS A 44 -5.150 -4.509 -8.362 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.615 -3.360 -6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.244 -5.928 -6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.189 -5.479 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.167 -2.387 -4.429 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.048 -4.064 -4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.611 -2.018 -3.596 1.00 0.00 H new ATOM 644 N LEU A 45 -1.647 -4.842 -6.506 1.00 0.00 N ATOM 645 CA LEU A 45 -0.433 -5.555 -6.886 1.00 0.00 C ATOM 646 C LEU A 45 -0.136 -6.686 -5.907 1.00 0.00 C ATOM 647 O LEU A 45 -0.695 -6.735 -4.811 1.00 0.00 O ATOM 648 CB LEU A 45 0.752 -4.590 -6.943 1.00 0.00 C ATOM 649 CG LEU A 45 0.802 -3.658 -8.155 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.936 -2.655 -8.011 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.956 -4.460 -9.438 1.00 0.00 C ATOM 0 H LEU A 45 -1.528 -4.189 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.590 -5.987 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.741 -3.979 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.672 -5.174 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.137 -3.108 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.956 -2.001 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.782 -2.058 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.884 -3.187 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.990 -3.781 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.880 -5.037 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.109 -5.137 -9.547 1.00 0.00 H new ATOM 663 N PHE A 46 0.749 -7.592 -6.308 1.00 0.00 N ATOM 664 CA PHE A 46 1.122 -8.723 -5.465 1.00 0.00 C ATOM 665 C PHE A 46 2.591 -9.087 -5.663 1.00 0.00 C ATOM 666 O PHE A 46 3.213 -8.693 -6.650 1.00 0.00 O ATOM 667 CB PHE A 46 0.238 -9.932 -5.777 1.00 0.00 C ATOM 668 CG PHE A 46 -1.198 -9.742 -5.383 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.595 -9.895 -4.065 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.152 -9.410 -6.332 1.00 0.00 C ATOM 671 CE1 PHE A 46 -2.917 -9.721 -3.700 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.476 -9.234 -5.973 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.858 -9.390 -4.655 1.00 0.00 C ATOM 0 H PHE A 46 1.222 -7.566 -7.211 1.00 0.00 H new ATOM 0 HA PHE A 46 0.975 -8.433 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.288 -10.143 -6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.636 -10.806 -5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.863 -10.153 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.858 -9.287 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.214 -9.844 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.210 -8.975 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.891 -9.253 -4.372 1.00 0.00 H new ATOM 683 N CYS A 47 3.139 -9.841 -4.716 1.00 0.00 N ATOM 684 CA CYS A 47 4.534 -10.259 -4.783 1.00 0.00 C ATOM 685 C CYS A 47 4.691 -11.489 -5.673 1.00 0.00 C ATOM 686 O CYS A 47 5.642 -11.590 -6.448 1.00 0.00 O ATOM 687 CB CYS A 47 5.067 -10.559 -3.381 1.00 0.00 C ATOM 688 SG CYS A 47 4.423 -12.101 -2.655 1.00 0.00 S ATOM 0 H CYS A 47 2.638 -10.175 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 47 5.111 -9.442 -5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.155 -10.616 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.816 -9.727 -2.723 1.00 0.00 H new ATOM 693 N SER A 48 3.752 -12.422 -5.555 1.00 0.00 N ATOM 694 CA SER A 48 3.787 -13.647 -6.345 1.00 0.00 C ATOM 695 C SER A 48 2.376 -14.148 -6.634 1.00 0.00 C ATOM 696 O SER A 48 1.463 -13.969 -5.827 1.00 0.00 O ATOM 697 CB SER A 48 4.585 -14.728 -5.613 1.00 0.00 C ATOM 698 OG SER A 48 4.147 -14.865 -4.272 1.00 0.00 O ATOM 0 H SER A 48 2.957 -12.353 -4.920 1.00 0.00 H new ATOM 0 HA SER A 48 4.275 -13.424 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.477 -15.680 -6.133 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.645 -14.475 -5.629 1.00 0.00 H new ATOM 0 HG SER A 48 4.333 -14.038 -3.781 1.00 0.00 H new ATOM 704 N THR A 49 2.203 -14.778 -7.792 1.00 0.00 N ATOM 705 CA THR A 49 0.904 -15.305 -8.189 1.00 0.00 C ATOM 706 C THR A 49 0.208 -15.993 -7.021 1.00 0.00 C ATOM 707 O THR A 49 -1.017 -15.949 -6.900 1.00 0.00 O ATOM 708 CB THR A 49 1.035 -16.304 -9.354 1.00 0.00 C ATOM 709 OG1 THR A 49 -0.242 -16.878 -9.654 1.00 0.00 O ATOM 710 CG2 THR A 49 2.025 -17.408 -9.011 1.00 0.00 C ATOM 0 H THR A 49 2.947 -14.935 -8.471 1.00 0.00 H new ATOM 0 HA THR A 49 0.305 -14.454 -8.515 1.00 0.00 H new ATOM 0 HB THR A 49 1.404 -15.764 -10.226 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.150 -17.511 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.101 -18.102 -9.848 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.003 -16.971 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.681 -17.944 -8.126 1.00 0.00 H new ATOM 718 N THR A 50 0.997 -16.628 -6.159 1.00 0.00 N ATOM 719 CA THR A 50 0.456 -17.326 -5.000 1.00 0.00 C ATOM 720 C THR A 50 -0.483 -16.426 -4.205 1.00 0.00 C ATOM 721 O THR A 50 -1.539 -16.863 -3.748 1.00 0.00 O ATOM 722 CB THR A 50 1.579 -17.825 -4.071 1.00 0.00 C ATOM 723 OG1 THR A 50 2.537 -18.580 -4.822 1.00 0.00 O ATOM 724 CG2 THR A 50 1.013 -18.686 -2.951 1.00 0.00 C ATOM 0 H THR A 50 2.013 -16.673 -6.242 1.00 0.00 H new ATOM 0 HA THR A 50 -0.101 -18.183 -5.378 1.00 0.00 H new ATOM 0 HB THR A 50 2.067 -16.956 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.248 -18.892 -4.225 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.825 -19.027 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.306 -18.100 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.502 -19.549 -3.378 1.00 0.00 H new ATOM 732 N CYS A 51 -0.092 -15.166 -4.043 1.00 0.00 N ATOM 733 CA CYS A 51 -0.898 -14.204 -3.303 1.00 0.00 C ATOM 734 C CYS A 51 -2.028 -13.658 -4.173 1.00 0.00 C ATOM 735 O CYS A 51 -3.183 -13.606 -3.749 1.00 0.00 O ATOM 736 CB CYS A 51 -0.024 -13.052 -2.802 1.00 0.00 C ATOM 737 SG CYS A 51 1.029 -13.483 -1.380 1.00 0.00 S ATOM 0 H CYS A 51 0.779 -14.788 -4.415 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.336 -14.717 -2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.610 -12.709 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.667 -12.216 -2.525 1.00 0.00 H new ATOM 742 N LEU A 52 -1.686 -13.254 -5.391 1.00 0.00 N ATOM 743 CA LEU A 52 -2.670 -12.713 -6.322 1.00 0.00 C ATOM 744 C LEU A 52 -3.982 -13.486 -6.237 1.00 0.00 C ATOM 745 O LEU A 52 -5.058 -12.895 -6.149 1.00 0.00 O ATOM 746 CB LEU A 52 -2.129 -12.759 -7.752 1.00 0.00 C ATOM 747 CG LEU A 52 -3.135 -12.449 -8.861 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.176 -10.955 -9.142 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.790 -13.222 -10.125 1.00 0.00 C ATOM 0 H LEU A 52 -0.735 -13.291 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.862 -11.676 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.304 -12.051 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.716 -13.752 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.124 -12.762 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.897 -10.753 -9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.471 -10.423 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.189 -10.617 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.516 -12.989 -10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.793 -12.940 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.813 -14.291 -9.915 1.00 0.00 H new ATOM 761 N SER A 53 -3.885 -14.811 -6.263 1.00 0.00 N ATOM 762 CA SER A 53 -5.064 -15.666 -6.191 1.00 0.00 C ATOM 763 C SER A 53 -5.536 -15.820 -4.749 1.00 0.00 C ATOM 764 O SER A 53 -6.735 -15.786 -4.469 1.00 0.00 O ATOM 765 CB SER A 53 -4.760 -17.041 -6.789 1.00 0.00 C ATOM 766 OG SER A 53 -3.902 -17.787 -5.944 1.00 0.00 O ATOM 0 H SER A 53 -3.002 -15.316 -6.333 1.00 0.00 H new ATOM 0 HA SER A 53 -5.860 -15.194 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.690 -17.588 -6.942 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.296 -16.921 -7.768 1.00 0.00 H new ATOM 0 HG SER A 53 -3.725 -18.662 -6.348 1.00 0.00 H new ATOM 772 N SER A 54 -4.585 -15.988 -3.836 1.00 0.00 N ATOM 773 CA SER A 54 -4.903 -16.151 -2.422 1.00 0.00 C ATOM 774 C SER A 54 -5.850 -15.053 -1.948 1.00 0.00 C ATOM 775 O SER A 54 -6.838 -15.322 -1.264 1.00 0.00 O ATOM 776 CB SER A 54 -3.622 -16.132 -1.584 1.00 0.00 C ATOM 777 OG SER A 54 -3.911 -16.303 -0.208 1.00 0.00 O ATOM 0 H SER A 54 -3.588 -16.015 -4.050 1.00 0.00 H new ATOM 0 HA SER A 54 -5.398 -17.114 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.952 -16.924 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.099 -15.188 -1.734 1.00 0.00 H new ATOM 0 HG SER A 54 -3.077 -16.289 0.306 1.00 0.00 H new ATOM 783 N PHE A 55 -5.542 -13.814 -2.317 1.00 0.00 N ATOM 784 CA PHE A 55 -6.365 -12.674 -1.930 1.00 0.00 C ATOM 785 C PHE A 55 -7.843 -12.963 -2.174 1.00 0.00 C ATOM 786 O PHE A 55 -8.681 -12.752 -1.297 1.00 0.00 O ATOM 787 CB PHE A 55 -5.942 -11.426 -2.707 1.00 0.00 C ATOM 788 CG PHE A 55 -6.508 -10.152 -2.148 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.908 -9.528 -1.066 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.639 -9.578 -2.704 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.425 -8.355 -0.549 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.161 -8.405 -2.192 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.554 -7.794 -1.112 1.00 0.00 C ATOM 0 H PHE A 55 -4.729 -13.574 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.219 -12.497 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.854 -11.361 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.257 -11.530 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.026 -9.964 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.119 -10.052 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.947 -7.878 0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.043 -7.967 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.962 -6.879 -0.709 1.00 0.00 H new ATOM 803 N SER A 56 -8.156 -13.445 -3.372 1.00 0.00 N ATOM 804 CA SER A 56 -9.533 -13.759 -3.734 1.00 0.00 C ATOM 805 C SER A 56 -9.706 -15.257 -3.967 1.00 0.00 C ATOM 806 O SER A 56 -9.462 -15.758 -5.065 1.00 0.00 O ATOM 807 CB SER A 56 -9.941 -12.985 -4.990 1.00 0.00 C ATOM 808 OG SER A 56 -11.267 -13.304 -5.377 1.00 0.00 O ATOM 0 H SER A 56 -7.474 -13.627 -4.109 1.00 0.00 H new ATOM 0 HA SER A 56 -10.177 -13.461 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.861 -11.914 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.255 -13.219 -5.804 1.00 0.00 H new ATOM 0 HG SER A 56 -11.504 -12.796 -6.181 1.00 0.00 H new ATOM 814 N SER A 57 -10.129 -15.966 -2.926 1.00 0.00 N ATOM 815 CA SER A 57 -10.332 -17.408 -3.015 1.00 0.00 C ATOM 816 C SER A 57 -11.078 -17.928 -1.789 1.00 0.00 C ATOM 817 O SER A 57 -10.583 -17.844 -0.666 1.00 0.00 O ATOM 818 CB SER A 57 -8.988 -18.125 -3.150 1.00 0.00 C ATOM 819 OG SER A 57 -9.164 -19.459 -3.596 1.00 0.00 O ATOM 0 H SER A 57 -10.338 -15.566 -2.011 1.00 0.00 H new ATOM 0 HA SER A 57 -10.935 -17.612 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.353 -17.584 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.474 -18.124 -2.189 1.00 0.00 H new ATOM 0 HG SER A 57 -8.290 -19.895 -3.676 1.00 0.00 H new ATOM 825 N GLY A 58 -12.272 -18.465 -2.016 1.00 0.00 N ATOM 826 CA GLY A 58 -13.068 -18.991 -0.922 1.00 0.00 C ATOM 827 C GLY A 58 -13.197 -18.010 0.226 1.00 0.00 C ATOM 828 O GLY A 58 -12.688 -18.236 1.324 1.00 0.00 O ATOM 0 H GLY A 58 -12.703 -18.545 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.061 -19.247 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.615 -19.913 -0.558 1.00 0.00 H new ATOM 832 N PRO A 59 -13.890 -16.889 -0.024 1.00 0.00 N ATOM 833 CA PRO A 59 -14.098 -15.846 0.986 1.00 0.00 C ATOM 834 C PRO A 59 -15.038 -16.297 2.099 1.00 0.00 C ATOM 835 O PRO A 59 -14.780 -16.054 3.278 1.00 0.00 O ATOM 836 CB PRO A 59 -14.725 -14.700 0.187 1.00 0.00 C ATOM 837 CG PRO A 59 -15.379 -15.363 -0.976 1.00 0.00 C ATOM 838 CD PRO A 59 -14.523 -16.553 -1.310 1.00 0.00 C ATOM 0 HA PRO A 59 -13.170 -15.575 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.449 -14.149 0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.970 -13.985 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.395 -15.670 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.449 -14.682 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.119 -17.382 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.782 -16.314 -2.072 1.00 0.00 H new ATOM 846 N SER A 60 -16.128 -16.954 1.716 1.00 0.00 N ATOM 847 CA SER A 60 -17.109 -17.435 2.683 1.00 0.00 C ATOM 848 C SER A 60 -16.949 -18.934 2.918 1.00 0.00 C ATOM 849 O SER A 60 -17.663 -19.746 2.329 1.00 0.00 O ATOM 850 CB SER A 60 -18.527 -17.132 2.196 1.00 0.00 C ATOM 851 OG SER A 60 -18.744 -17.657 0.897 1.00 0.00 O ATOM 0 H SER A 60 -16.354 -17.165 0.744 1.00 0.00 H new ATOM 0 HA SER A 60 -16.938 -16.916 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.252 -17.558 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.689 -16.054 2.188 1.00 0.00 H new ATOM 0 HG SER A 60 -18.592 -18.625 0.906 1.00 0.00 H new ATOM 857 N SER A 61 -16.006 -19.293 3.784 1.00 0.00 N ATOM 858 CA SER A 61 -15.748 -20.694 4.095 1.00 0.00 C ATOM 859 C SER A 61 -15.917 -21.567 2.855 1.00 0.00 C ATOM 860 O SER A 61 -16.489 -22.654 2.920 1.00 0.00 O ATOM 861 CB SER A 61 -16.690 -21.174 5.202 1.00 0.00 C ATOM 862 OG SER A 61 -18.034 -21.198 4.754 1.00 0.00 O ATOM 0 H SER A 61 -15.409 -18.633 4.282 1.00 0.00 H new ATOM 0 HA SER A 61 -14.718 -20.780 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.394 -22.171 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.604 -20.517 6.067 1.00 0.00 H new ATOM 0 HG SER A 61 -18.615 -21.510 5.479 1.00 0.00 H new ATOM 868 N GLY A 62 -15.414 -21.081 1.724 1.00 0.00 N ATOM 869 CA GLY A 62 -15.518 -21.827 0.484 1.00 0.00 C ATOM 870 C GLY A 62 -14.236 -21.793 -0.323 1.00 0.00 C ATOM 871 O GLY A 62 -13.894 -22.797 -0.947 1.00 0.00 O ATOM 0 H GLY A 62 -14.936 -20.183 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.776 -22.862 0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.332 -21.418 -0.115 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.533 -11.692 -1.333 1.00 0.00 ZN