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 Single : A 1 GLY N :NH3+ -135:sc= 0.0804 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.069 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 14 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.51) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0197 (180deg=-0.172) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.35 K(o=-1.4,f=-8.3!) 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= -0.617 K(o=-0.62,f=-3.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.5) USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.0584 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.149 K(o=-0.15,f=-3.7!) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0749) USER MOD Single : A 42 SER OG : rot -32:sc= 0.9 USER MOD Single : A 44 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD Single : A 48 SER OG : rot -2:sc= 0.241 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 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 37:sc= 0.653 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.003 32.202 3.336 1.00 0.00 N ATOM 2 CA GLY A 1 -20.841 31.084 2.944 1.00 0.00 C ATOM 3 C GLY A 1 -21.178 30.174 4.109 1.00 0.00 C ATOM 4 O GLY A 1 -20.998 30.547 5.268 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.368 33.076 2.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.011 32.295 4.372 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.029 32.037 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.764 31.463 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.333 30.507 2.171 1.00 0.00 H new ATOM 8 N SER A 2 -21.669 28.978 3.801 1.00 0.00 N ATOM 9 CA SER A 2 -22.037 28.015 4.832 1.00 0.00 C ATOM 10 C SER A 2 -21.010 26.889 4.915 1.00 0.00 C ATOM 11 O SER A 2 -20.144 26.759 4.050 1.00 0.00 O ATOM 12 CB SER A 2 -23.424 27.436 4.547 1.00 0.00 C ATOM 13 OG SER A 2 -23.991 26.871 5.717 1.00 0.00 O ATOM 0 H SER A 2 -21.821 28.653 2.846 1.00 0.00 H new ATOM 0 HA SER A 2 -22.058 28.535 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.077 28.220 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.351 26.675 3.770 1.00 0.00 H new ATOM 0 HG SER A 2 -24.878 26.509 5.509 1.00 0.00 H new ATOM 19 N SER A 3 -21.115 26.077 5.962 1.00 0.00 N ATOM 20 CA SER A 3 -20.195 24.964 6.161 1.00 0.00 C ATOM 21 C SER A 3 -20.941 23.634 6.154 1.00 0.00 C ATOM 22 O SER A 3 -20.654 22.751 5.346 1.00 0.00 O ATOM 23 CB SER A 3 -19.437 25.130 7.480 1.00 0.00 C ATOM 24 OG SER A 3 -20.332 25.340 8.559 1.00 0.00 O ATOM 0 H SER A 3 -21.828 26.169 6.685 1.00 0.00 H new ATOM 0 HA SER A 3 -19.481 24.964 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.834 24.242 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.749 25.972 7.404 1.00 0.00 H new ATOM 0 HG SER A 3 -19.824 25.441 9.391 1.00 0.00 H new ATOM 30 N GLY A 4 -21.903 23.497 7.063 1.00 0.00 N ATOM 31 CA GLY A 4 -22.677 22.272 7.146 1.00 0.00 C ATOM 32 C GLY A 4 -22.452 21.531 8.449 1.00 0.00 C ATOM 33 O GLY A 4 -21.374 20.983 8.681 1.00 0.00 O ATOM 0 H GLY A 4 -22.160 24.213 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.736 22.508 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.413 21.622 6.312 1.00 0.00 H new ATOM 37 N SER A 5 -23.470 21.516 9.303 1.00 0.00 N ATOM 38 CA SER A 5 -23.377 20.842 10.592 1.00 0.00 C ATOM 39 C SER A 5 -23.395 19.327 10.415 1.00 0.00 C ATOM 40 O SER A 5 -22.588 18.612 11.010 1.00 0.00 O ATOM 41 CB SER A 5 -24.528 21.274 11.502 1.00 0.00 C ATOM 42 OG SER A 5 -25.782 21.015 10.896 1.00 0.00 O ATOM 0 H SER A 5 -24.369 21.963 9.125 1.00 0.00 H new ATOM 0 HA SER A 5 -22.432 21.125 11.055 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.463 20.744 12.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.441 22.338 11.724 1.00 0.00 H new ATOM 0 HG SER A 5 -26.501 21.298 11.498 1.00 0.00 H new ATOM 48 N SER A 6 -24.321 18.844 9.594 1.00 0.00 N ATOM 49 CA SER A 6 -24.448 17.414 9.340 1.00 0.00 C ATOM 50 C SER A 6 -23.075 16.756 9.236 1.00 0.00 C ATOM 51 O SER A 6 -22.080 17.416 8.941 1.00 0.00 O ATOM 52 CB SER A 6 -25.242 17.170 8.055 1.00 0.00 C ATOM 53 OG SER A 6 -26.635 17.279 8.288 1.00 0.00 O ATOM 0 H SER A 6 -24.995 19.422 9.093 1.00 0.00 H new ATOM 0 HA SER A 6 -24.983 16.968 10.179 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.940 17.890 7.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.012 16.179 7.664 1.00 0.00 H new ATOM 0 HG SER A 6 -27.120 17.121 7.451 1.00 0.00 H new ATOM 59 N GLY A 7 -23.031 15.450 9.482 1.00 0.00 N ATOM 60 CA GLY A 7 -21.777 14.724 9.411 1.00 0.00 C ATOM 61 C GLY A 7 -21.918 13.278 9.844 1.00 0.00 C ATOM 62 O GLY A 7 -22.904 12.909 10.482 1.00 0.00 O ATOM 0 H GLY A 7 -23.842 14.882 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.398 14.759 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.038 15.218 10.042 1.00 0.00 H new ATOM 66 N GLN A 8 -20.932 12.459 9.495 1.00 0.00 N ATOM 67 CA GLN A 8 -20.953 11.044 9.850 1.00 0.00 C ATOM 68 C GLN A 8 -19.650 10.634 10.527 1.00 0.00 C ATOM 69 O GLN A 8 -18.628 11.312 10.424 1.00 0.00 O ATOM 70 CB GLN A 8 -21.187 10.188 8.605 1.00 0.00 C ATOM 71 CG GLN A 8 -22.656 9.919 8.318 1.00 0.00 C ATOM 72 CD GLN A 8 -22.858 8.865 7.248 1.00 0.00 C ATOM 73 OE1 GLN A 8 -21.978 8.628 6.419 1.00 0.00 O ATOM 74 NE2 GLN A 8 -24.021 8.224 7.259 1.00 0.00 N ATOM 0 H GLN A 8 -20.109 12.750 8.967 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.772 10.883 10.551 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.742 10.686 7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.669 9.237 8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -23.149 9.599 9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -23.137 10.846 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -24.722 8.452 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -24.213 7.504 6.563 1.00 0.00 H new ATOM 83 N PRO A 9 -19.684 9.496 11.237 1.00 0.00 N ATOM 84 CA PRO A 9 -18.514 8.969 11.945 1.00 0.00 C ATOM 85 C PRO A 9 -17.441 8.456 10.990 1.00 0.00 C ATOM 86 O PRO A 9 -17.600 7.406 10.366 1.00 0.00 O ATOM 87 CB PRO A 9 -19.088 7.816 12.772 1.00 0.00 C ATOM 88 CG PRO A 9 -20.308 7.390 12.031 1.00 0.00 C ATOM 89 CD PRO A 9 -20.868 8.636 11.402 1.00 0.00 C ATOM 0 HA PRO A 9 -18.021 9.736 12.542 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.373 6.998 12.861 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.332 8.138 13.784 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.064 6.646 11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.033 6.933 12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -21.347 8.423 10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -21.619 9.104 12.038 1.00 0.00 H new ATOM 97 N THR A 10 -16.347 9.204 10.879 1.00 0.00 N ATOM 98 CA THR A 10 -15.248 8.825 10.000 1.00 0.00 C ATOM 99 C THR A 10 -13.921 8.819 10.749 1.00 0.00 C ATOM 100 O THR A 10 -13.725 9.588 11.689 1.00 0.00 O ATOM 101 CB THR A 10 -15.140 9.778 8.794 1.00 0.00 C ATOM 102 OG1 THR A 10 -14.972 11.125 9.248 1.00 0.00 O ATOM 103 CG2 THR A 10 -16.378 9.683 7.916 1.00 0.00 C ATOM 0 H THR A 10 -16.199 10.076 11.387 1.00 0.00 H new ATOM 0 HA THR A 10 -15.463 7.819 9.641 1.00 0.00 H new ATOM 0 HB THR A 10 -14.273 9.484 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.902 11.724 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.278 10.365 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.486 8.663 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.259 9.953 8.498 1.00 0.00 H new ATOM 111 N ALA A 11 -13.012 7.946 10.327 1.00 0.00 N ATOM 112 CA ALA A 11 -11.702 7.842 10.957 1.00 0.00 C ATOM 113 C ALA A 11 -10.595 7.756 9.911 1.00 0.00 C ATOM 114 O ALA A 11 -10.457 6.744 9.224 1.00 0.00 O ATOM 115 CB ALA A 11 -11.655 6.633 11.880 1.00 0.00 C ATOM 0 H ALA A 11 -13.159 7.300 9.551 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.538 8.743 11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.671 6.567 12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.415 6.737 12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.845 5.728 11.304 1.00 0.00 H new ATOM 121 N GLN A 12 -9.811 8.823 9.797 1.00 0.00 N ATOM 122 CA GLN A 12 -8.718 8.866 8.833 1.00 0.00 C ATOM 123 C GLN A 12 -7.689 9.922 9.225 1.00 0.00 C ATOM 124 O GLN A 12 -8.024 11.092 9.403 1.00 0.00 O ATOM 125 CB GLN A 12 -9.256 9.158 7.431 1.00 0.00 C ATOM 126 CG GLN A 12 -10.022 10.468 7.334 1.00 0.00 C ATOM 127 CD GLN A 12 -10.463 10.782 5.918 1.00 0.00 C ATOM 128 OE1 GLN A 12 -10.049 10.121 4.965 1.00 0.00 O ATOM 129 NE2 GLN A 12 -11.309 11.795 5.773 1.00 0.00 N ATOM 0 H GLN A 12 -9.912 9.668 10.359 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.230 7.891 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.423 9.181 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.909 8.341 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.898 10.421 7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.395 11.279 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.626 12.316 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.642 12.053 4.844 1.00 0.00 H new ATOM 138 N GLN A 13 -6.436 9.499 9.358 1.00 0.00 N ATOM 139 CA GLN A 13 -5.358 10.408 9.730 1.00 0.00 C ATOM 140 C GLN A 13 -4.081 10.081 8.964 1.00 0.00 C ATOM 141 O GLN A 13 -3.682 8.920 8.873 1.00 0.00 O ATOM 142 CB GLN A 13 -5.097 10.334 11.236 1.00 0.00 C ATOM 143 CG GLN A 13 -4.528 9.000 11.690 1.00 0.00 C ATOM 144 CD GLN A 13 -4.123 9.005 13.151 1.00 0.00 C ATOM 145 OE1 GLN A 13 -3.803 10.051 13.715 1.00 0.00 O ATOM 146 NE2 GLN A 13 -4.135 7.831 13.773 1.00 0.00 N ATOM 0 H GLN A 13 -6.142 8.533 9.214 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.665 11.421 9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.405 11.129 11.516 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.030 10.521 11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.269 8.218 11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.661 8.752 11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.407 6.988 13.267 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.872 7.772 14.757 1.00 0.00 H new ATOM 155 N GLN A 14 -3.445 11.111 8.416 1.00 0.00 N ATOM 156 CA GLN A 14 -2.213 10.932 7.657 1.00 0.00 C ATOM 157 C GLN A 14 -1.568 12.278 7.341 1.00 0.00 C ATOM 158 O GLN A 14 -2.199 13.158 6.753 1.00 0.00 O ATOM 159 CB GLN A 14 -2.495 10.171 6.360 1.00 0.00 C ATOM 160 CG GLN A 14 -1.238 9.769 5.606 1.00 0.00 C ATOM 161 CD GLN A 14 -1.419 8.491 4.809 1.00 0.00 C ATOM 162 OE1 GLN A 14 -2.531 8.150 4.406 1.00 0.00 O ATOM 163 NE2 GLN A 14 -0.323 7.777 4.579 1.00 0.00 N ATOM 0 H GLN A 14 -3.762 12.078 8.483 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.520 10.352 8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.072 9.276 6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.115 10.791 5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.950 10.575 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.420 9.638 6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.578 8.098 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.383 6.908 4.049 1.00 0.00 H new ATOM 172 N LEU A 15 -0.309 12.431 7.734 1.00 0.00 N ATOM 173 CA LEU A 15 0.423 13.670 7.493 1.00 0.00 C ATOM 174 C LEU A 15 1.397 13.510 6.330 1.00 0.00 C ATOM 175 O LEU A 15 1.728 14.478 5.645 1.00 0.00 O ATOM 176 CB LEU A 15 1.180 14.091 8.753 1.00 0.00 C ATOM 177 CG LEU A 15 2.337 13.185 9.176 1.00 0.00 C ATOM 178 CD1 LEU A 15 3.640 13.657 8.549 1.00 0.00 C ATOM 179 CD2 LEU A 15 2.456 13.145 10.692 1.00 0.00 C ATOM 0 H LEU A 15 0.227 11.713 8.221 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.299 14.445 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.570 15.097 8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.469 14.148 9.578 1.00 0.00 H new ATOM 0 HG LEU A 15 2.132 12.175 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.453 13.001 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.551 13.633 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.852 14.676 8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.284 12.496 10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.638 14.151 11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.530 12.760 11.120 1.00 0.00 H new ATOM 191 N THR A 16 1.852 12.280 6.111 1.00 0.00 N ATOM 192 CA THR A 16 2.787 11.992 5.031 1.00 0.00 C ATOM 193 C THR A 16 2.288 10.841 4.164 1.00 0.00 C ATOM 194 O THR A 16 2.086 9.727 4.649 1.00 0.00 O ATOM 195 CB THR A 16 4.184 11.642 5.576 1.00 0.00 C ATOM 196 OG1 THR A 16 5.023 11.178 4.512 1.00 0.00 O ATOM 197 CG2 THR A 16 4.092 10.576 6.657 1.00 0.00 C ATOM 0 H THR A 16 1.588 11.467 6.668 1.00 0.00 H new ATOM 0 HA THR A 16 2.858 12.895 4.425 1.00 0.00 H new ATOM 0 HB THR A 16 4.615 12.543 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.910 10.959 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.091 10.345 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.477 10.943 7.479 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.642 9.674 6.242 1.00 0.00 H new ATOM 205 N LYS A 17 2.092 11.116 2.879 1.00 0.00 N ATOM 206 CA LYS A 17 1.620 10.103 1.943 1.00 0.00 C ATOM 207 C LYS A 17 2.596 8.933 1.868 1.00 0.00 C ATOM 208 O LYS A 17 3.792 9.074 2.123 1.00 0.00 O ATOM 209 CB LYS A 17 1.430 10.713 0.552 1.00 0.00 C ATOM 210 CG LYS A 17 0.327 11.755 0.490 1.00 0.00 C ATOM 211 CD LYS A 17 -0.074 12.057 -0.944 1.00 0.00 C ATOM 212 CE LYS A 17 1.049 12.749 -1.703 1.00 0.00 C ATOM 213 NZ LYS A 17 0.591 13.262 -3.024 1.00 0.00 N ATOM 0 H LYS A 17 2.253 12.033 2.462 1.00 0.00 H new ATOM 0 HA LYS A 17 0.661 9.730 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.367 11.169 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.206 9.916 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.542 11.400 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.663 12.671 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.340 11.130 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.962 12.689 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.435 13.575 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.872 12.050 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.384 13.726 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.246 12.470 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.178 13.948 -2.882 1.00 0.00 H new ATOM 227 N PRO A 18 2.076 7.750 1.509 1.00 0.00 N ATOM 228 CA PRO A 18 2.885 6.533 1.391 1.00 0.00 C ATOM 229 C PRO A 18 3.839 6.585 0.202 1.00 0.00 C ATOM 230 O PRO A 18 3.415 6.760 -0.939 1.00 0.00 O ATOM 231 CB PRO A 18 1.842 5.431 1.191 1.00 0.00 C ATOM 232 CG PRO A 18 0.665 6.126 0.598 1.00 0.00 C ATOM 233 CD PRO A 18 0.659 7.508 1.191 1.00 0.00 C ATOM 0 HA PRO A 18 3.523 6.382 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.214 4.649 0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.585 4.953 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.743 6.168 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.259 5.597 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.274 8.246 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.033 7.560 2.082 1.00 0.00 H new ATOM 241 N ALA A 19 5.130 6.431 0.479 1.00 0.00 N ATOM 242 CA ALA A 19 6.144 6.458 -0.568 1.00 0.00 C ATOM 243 C ALA A 19 6.734 5.071 -0.797 1.00 0.00 C ATOM 244 O ALA A 19 7.950 4.912 -0.906 1.00 0.00 O ATOM 245 CB ALA A 19 7.243 7.449 -0.214 1.00 0.00 C ATOM 0 H ALA A 19 5.498 6.286 1.419 1.00 0.00 H new ATOM 0 HA ALA A 19 5.666 6.778 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.993 7.458 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.814 8.446 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.710 7.154 0.726 1.00 0.00 H new ATOM 251 N LYS A 20 5.865 4.068 -0.870 1.00 0.00 N ATOM 252 CA LYS A 20 6.299 2.693 -1.087 1.00 0.00 C ATOM 253 C LYS A 20 5.121 1.806 -1.477 1.00 0.00 C ATOM 254 O LYS A 20 4.000 2.287 -1.649 1.00 0.00 O ATOM 255 CB LYS A 20 6.968 2.143 0.175 1.00 0.00 C ATOM 256 CG LYS A 20 5.988 1.787 1.278 1.00 0.00 C ATOM 257 CD LYS A 20 6.634 1.880 2.650 1.00 0.00 C ATOM 258 CE LYS A 20 5.590 1.955 3.754 1.00 0.00 C ATOM 259 NZ LYS A 20 4.891 3.270 3.767 1.00 0.00 N ATOM 0 H LYS A 20 4.855 4.182 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 20 7.020 2.691 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.545 1.256 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.674 2.882 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.129 2.457 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.612 0.776 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.274 1.013 2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.274 2.761 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.860 1.157 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.069 1.789 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.395 3.391 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.587 4.034 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.203 3.305 2.988 1.00 0.00 H new ATOM 273 N ILE A 21 5.381 0.511 -1.614 1.00 0.00 N ATOM 274 CA ILE A 21 4.342 -0.443 -1.982 1.00 0.00 C ATOM 275 C ILE A 21 4.531 -1.770 -1.255 1.00 0.00 C ATOM 276 O ILE A 21 5.649 -2.141 -0.897 1.00 0.00 O ATOM 277 CB ILE A 21 4.325 -0.700 -3.500 1.00 0.00 C ATOM 278 CG1 ILE A 21 3.884 0.560 -4.248 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.407 -1.867 -3.830 1.00 0.00 C ATOM 280 CD1 ILE A 21 2.393 0.625 -4.496 1.00 0.00 C ATOM 0 H ILE A 21 6.303 0.097 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 21 3.390 -0.002 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 21 5.335 -0.956 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.188 1.437 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.406 0.606 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.406 -2.036 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.762 -2.764 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.394 -1.639 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.153 1.544 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.086 -0.233 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.865 0.611 -3.543 1.00 0.00 H new ATOM 292 N THR A 22 3.430 -2.483 -1.041 1.00 0.00 N ATOM 293 CA THR A 22 3.473 -3.770 -0.358 1.00 0.00 C ATOM 294 C THR A 22 2.432 -4.729 -0.924 1.00 0.00 C ATOM 295 O THR A 22 1.348 -4.313 -1.333 1.00 0.00 O ATOM 296 CB THR A 22 3.238 -3.610 1.156 1.00 0.00 C ATOM 297 OG1 THR A 22 2.243 -2.609 1.394 1.00 0.00 O ATOM 298 CG2 THR A 22 4.528 -3.229 1.867 1.00 0.00 C ATOM 0 H THR A 22 2.497 -2.191 -1.331 1.00 0.00 H new ATOM 0 HA THR A 22 4.469 -4.182 -0.523 1.00 0.00 H new ATOM 0 HB THR A 22 2.893 -4.566 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.098 -2.515 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.337 -3.122 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.274 -4.007 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.898 -2.285 1.468 1.00 0.00 H new ATOM 306 N CYS A 23 2.768 -6.014 -0.945 1.00 0.00 N ATOM 307 CA CYS A 23 1.863 -7.033 -1.460 1.00 0.00 C ATOM 308 C CYS A 23 0.505 -6.956 -0.768 1.00 0.00 C ATOM 309 O CYS A 23 0.425 -6.753 0.443 1.00 0.00 O ATOM 310 CB CYS A 23 2.466 -8.426 -1.269 1.00 0.00 C ATOM 311 SG CYS A 23 1.376 -9.788 -1.793 1.00 0.00 S ATOM 0 H CYS A 23 3.662 -6.374 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 23 1.720 -6.849 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.399 -8.486 -1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.717 -8.560 -0.217 1.00 0.00 H new ATOM 316 N ALA A 24 -0.560 -7.118 -1.546 1.00 0.00 N ATOM 317 CA ALA A 24 -1.914 -7.069 -1.008 1.00 0.00 C ATOM 318 C ALA A 24 -2.313 -8.411 -0.402 1.00 0.00 C ATOM 319 O ALA A 24 -3.497 -8.697 -0.231 1.00 0.00 O ATOM 320 CB ALA A 24 -2.899 -6.664 -2.094 1.00 0.00 C ATOM 0 H ALA A 24 -0.511 -7.284 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.937 -6.321 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.906 -6.632 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.633 -5.679 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.865 -7.391 -2.906 1.00 0.00 H new ATOM 326 N ASN A 25 -1.317 -9.229 -0.080 1.00 0.00 N ATOM 327 CA ASN A 25 -1.565 -10.542 0.505 1.00 0.00 C ATOM 328 C ASN A 25 -0.702 -10.756 1.745 1.00 0.00 C ATOM 329 O ASN A 25 -1.213 -10.851 2.861 1.00 0.00 O ATOM 330 CB ASN A 25 -1.285 -11.642 -0.521 1.00 0.00 C ATOM 331 CG ASN A 25 -2.094 -12.898 -0.257 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.224 -13.032 -0.727 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.517 -13.825 0.498 1.00 0.00 N ATOM 0 H ASN A 25 -0.331 -9.006 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.613 -10.589 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.512 -11.270 -1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.223 -11.887 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.012 -14.691 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.578 -13.671 0.866 1.00 0.00 H new ATOM 340 N CYS A 26 0.609 -10.831 1.542 1.00 0.00 N ATOM 341 CA CYS A 26 1.543 -11.034 2.642 1.00 0.00 C ATOM 342 C CYS A 26 2.012 -9.698 3.210 1.00 0.00 C ATOM 343 O CYS A 26 2.623 -9.645 4.278 1.00 0.00 O ATOM 344 CB CYS A 26 2.748 -11.851 2.171 1.00 0.00 C ATOM 345 SG CYS A 26 3.613 -11.140 0.733 1.00 0.00 S ATOM 0 H CYS A 26 1.049 -10.754 0.625 1.00 0.00 H new ATOM 0 HA CYS A 26 1.025 -11.582 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.454 -11.945 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.415 -12.858 1.920 1.00 0.00 H new ATOM 350 N LYS A 27 1.721 -8.620 2.490 1.00 0.00 N ATOM 351 CA LYS A 27 2.111 -7.283 2.922 1.00 0.00 C ATOM 352 C LYS A 27 3.629 -7.156 2.997 1.00 0.00 C ATOM 353 O LYS A 27 4.172 -6.655 3.982 1.00 0.00 O ATOM 354 CB LYS A 27 1.493 -6.965 4.285 1.00 0.00 C ATOM 355 CG LYS A 27 -0.021 -6.846 4.255 1.00 0.00 C ATOM 356 CD LYS A 27 -0.685 -8.211 4.178 1.00 0.00 C ATOM 357 CE LYS A 27 -2.200 -8.099 4.271 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.653 -7.851 5.668 1.00 0.00 N ATOM 0 H LYS A 27 1.216 -8.646 1.604 1.00 0.00 H new ATOM 0 HA LYS A 27 1.741 -6.568 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.774 -7.745 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.915 -6.031 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.364 -6.323 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.323 -6.244 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.412 -8.698 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.315 -8.843 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.544 -7.289 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.656 -9.017 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.690 -7.781 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.346 -8.636 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.239 -6.962 6.015 1.00 0.00 H new ATOM 372 N LYS A 28 4.309 -7.612 1.951 1.00 0.00 N ATOM 373 CA LYS A 28 5.765 -7.547 1.897 1.00 0.00 C ATOM 374 C LYS A 28 6.226 -6.353 1.067 1.00 0.00 C ATOM 375 O LYS A 28 5.601 -5.977 0.075 1.00 0.00 O ATOM 376 CB LYS A 28 6.331 -8.840 1.307 1.00 0.00 C ATOM 377 CG LYS A 28 6.629 -9.905 2.349 1.00 0.00 C ATOM 378 CD LYS A 28 6.926 -11.248 1.704 1.00 0.00 C ATOM 379 CE LYS A 28 8.373 -11.337 1.244 1.00 0.00 C ATOM 380 NZ LYS A 28 8.525 -12.232 0.063 1.00 0.00 N ATOM 0 H LYS A 28 3.875 -8.031 1.128 1.00 0.00 H new ATOM 0 HA LYS A 28 6.137 -7.425 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.621 -9.240 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.247 -8.610 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.481 -9.595 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.778 -10.004 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.719 -12.048 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.262 -11.399 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.737 -10.340 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.992 -11.706 2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.525 -12.266 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.202 -13.189 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.954 -11.866 -0.726 1.00 0.00 H new ATOM 394 N PRO A 29 7.346 -5.741 1.480 1.00 0.00 N ATOM 395 CA PRO A 29 7.916 -4.582 0.788 1.00 0.00 C ATOM 396 C PRO A 29 8.501 -4.949 -0.572 1.00 0.00 C ATOM 397 O PRO A 29 9.583 -5.531 -0.657 1.00 0.00 O ATOM 398 CB PRO A 29 9.022 -4.111 1.736 1.00 0.00 C ATOM 399 CG PRO A 29 9.402 -5.327 2.508 1.00 0.00 C ATOM 400 CD PRO A 29 8.142 -6.135 2.655 1.00 0.00 C ATOM 0 HA PRO A 29 7.163 -3.822 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.872 -3.711 1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.668 -3.318 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.172 -5.896 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.810 -5.059 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.349 -7.205 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.624 -5.906 3.586 1.00 0.00 H new ATOM 408 N LEU A 30 7.780 -4.605 -1.633 1.00 0.00 N ATOM 409 CA LEU A 30 8.228 -4.897 -2.990 1.00 0.00 C ATOM 410 C LEU A 30 8.984 -3.712 -3.581 1.00 0.00 C ATOM 411 O LEU A 30 8.457 -2.603 -3.657 1.00 0.00 O ATOM 412 CB LEU A 30 7.032 -5.248 -3.878 1.00 0.00 C ATOM 413 CG LEU A 30 5.986 -6.176 -3.260 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.614 -5.905 -3.856 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.379 -7.632 -3.460 1.00 0.00 C ATOM 0 H LEU A 30 6.882 -4.123 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 30 8.905 -5.751 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.538 -4.321 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.406 -5.712 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 30 5.940 -5.978 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.882 -6.575 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.330 -4.871 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.645 -6.074 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.623 -8.278 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.455 -7.845 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.342 -7.818 -2.984 1.00 0.00 H new ATOM 427 N GLN A 31 10.222 -3.957 -4.000 1.00 0.00 N ATOM 428 CA GLN A 31 11.050 -2.909 -4.586 1.00 0.00 C ATOM 429 C GLN A 31 10.689 -2.685 -6.051 1.00 0.00 C ATOM 430 O GLN A 31 9.892 -3.427 -6.626 1.00 0.00 O ATOM 431 CB GLN A 31 12.531 -3.273 -4.464 1.00 0.00 C ATOM 432 CG GLN A 31 13.031 -3.314 -3.029 1.00 0.00 C ATOM 433 CD GLN A 31 13.198 -1.931 -2.430 1.00 0.00 C ATOM 434 OE1 GLN A 31 12.261 -1.133 -2.412 1.00 0.00 O ATOM 435 NE2 GLN A 31 14.395 -1.641 -1.934 1.00 0.00 N ATOM 0 H GLN A 31 10.673 -4.870 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 31 10.863 -1.985 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.697 -4.246 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.122 -2.549 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.331 -3.887 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.986 -3.838 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.143 -2.333 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.566 -0.726 -1.517 1.00 0.00 H new ATOM 444 N LYS A 32 11.279 -1.656 -6.650 1.00 0.00 N ATOM 445 CA LYS A 32 11.021 -1.333 -8.048 1.00 0.00 C ATOM 446 C LYS A 32 11.858 -2.211 -8.973 1.00 0.00 C ATOM 447 O LYS A 32 12.915 -1.799 -9.447 1.00 0.00 O ATOM 448 CB LYS A 32 11.324 0.142 -8.316 1.00 0.00 C ATOM 449 CG LYS A 32 12.695 0.580 -7.832 1.00 0.00 C ATOM 450 CD LYS A 32 12.626 1.198 -6.446 1.00 0.00 C ATOM 451 CE LYS A 32 13.905 0.950 -5.661 1.00 0.00 C ATOM 452 NZ LYS A 32 14.911 2.024 -5.887 1.00 0.00 N ATOM 0 H LYS A 32 11.940 -1.031 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 32 9.967 -1.524 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.249 0.331 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.564 0.754 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.367 -0.278 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.116 1.301 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.453 2.271 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.778 0.782 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.672 0.888 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.329 -0.011 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.768 1.819 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.152 2.067 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.516 2.938 -5.586 1.00 0.00 H new ATOM 466 N GLY A 33 11.376 -3.425 -9.226 1.00 0.00 N ATOM 467 CA GLY A 33 12.092 -4.341 -10.095 1.00 0.00 C ATOM 468 C GLY A 33 11.885 -5.791 -9.705 1.00 0.00 C ATOM 469 O GLY A 33 11.575 -6.629 -10.551 1.00 0.00 O ATOM 0 H GLY A 33 10.503 -3.790 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.762 -4.194 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.156 -4.108 -10.065 1.00 0.00 H new ATOM 473 N GLN A 34 12.059 -6.087 -8.421 1.00 0.00 N ATOM 474 CA GLN A 34 11.891 -7.447 -7.922 1.00 0.00 C ATOM 475 C GLN A 34 10.791 -8.175 -8.686 1.00 0.00 C ATOM 476 O GLN A 34 11.064 -9.066 -9.492 1.00 0.00 O ATOM 477 CB GLN A 34 11.564 -7.428 -6.428 1.00 0.00 C ATOM 478 CG GLN A 34 12.773 -7.168 -5.543 1.00 0.00 C ATOM 479 CD GLN A 34 13.997 -7.944 -5.986 1.00 0.00 C ATOM 480 OE1 GLN A 34 15.089 -7.388 -6.105 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.822 -9.237 -6.233 1.00 0.00 N ATOM 0 H GLN A 34 12.316 -5.404 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 34 12.829 -7.981 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.814 -6.660 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.119 -8.384 -6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.001 -6.102 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.530 -7.436 -4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.899 -9.657 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.610 -9.810 -6.534 1.00 0.00 H new ATOM 490 N THR A 35 9.544 -7.792 -8.428 1.00 0.00 N ATOM 491 CA THR A 35 8.402 -8.410 -9.090 1.00 0.00 C ATOM 492 C THR A 35 7.103 -7.707 -8.714 1.00 0.00 C ATOM 493 O THR A 35 7.048 -6.968 -7.732 1.00 0.00 O ATOM 494 CB THR A 35 8.287 -9.904 -8.734 1.00 0.00 C ATOM 495 OG1 THR A 35 7.304 -10.531 -9.566 1.00 0.00 O ATOM 496 CG2 THR A 35 7.910 -10.084 -7.272 1.00 0.00 C ATOM 0 H THR A 35 9.300 -7.056 -7.765 1.00 0.00 H new ATOM 0 HA THR A 35 8.567 -8.312 -10.163 1.00 0.00 H new ATOM 0 HB THR A 35 9.257 -10.371 -8.903 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.349 -11.503 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.835 -11.147 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.674 -9.631 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.950 -9.603 -7.082 1.00 0.00 H new ATOM 504 N ALA A 36 6.058 -7.944 -9.501 1.00 0.00 N ATOM 505 CA ALA A 36 4.758 -7.336 -9.249 1.00 0.00 C ATOM 506 C ALA A 36 3.698 -7.894 -10.192 1.00 0.00 C ATOM 507 O ALA A 36 3.932 -8.031 -11.393 1.00 0.00 O ATOM 508 CB ALA A 36 4.847 -5.823 -9.388 1.00 0.00 C ATOM 0 H ALA A 36 6.087 -8.553 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 36 4.463 -7.580 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.869 -5.382 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.567 -5.433 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.169 -5.569 -10.398 1.00 0.00 H new ATOM 514 N TYR A 37 2.533 -8.215 -9.641 1.00 0.00 N ATOM 515 CA TYR A 37 1.438 -8.762 -10.434 1.00 0.00 C ATOM 516 C TYR A 37 0.202 -7.872 -10.343 1.00 0.00 C ATOM 517 O TYR A 37 -0.168 -7.415 -9.262 1.00 0.00 O ATOM 518 CB TYR A 37 1.097 -10.177 -9.963 1.00 0.00 C ATOM 519 CG TYR A 37 2.202 -11.180 -10.208 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.395 -11.114 -9.500 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.052 -12.191 -11.148 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.408 -12.028 -9.721 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.059 -13.110 -11.375 1.00 0.00 C ATOM 524 CZ TYR A 37 4.235 -13.024 -10.659 1.00 0.00 C ATOM 525 OH TYR A 37 5.240 -13.936 -10.883 1.00 0.00 O ATOM 0 H TYR A 37 2.322 -8.106 -8.649 1.00 0.00 H new ATOM 0 HA TYR A 37 1.760 -8.800 -11.475 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.871 -10.151 -8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.194 -10.513 -10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.533 -10.335 -8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.133 -12.260 -11.711 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.330 -11.963 -9.162 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.926 -13.891 -12.109 1.00 0.00 H new ATOM 0 HH TYR A 37 4.957 -14.571 -11.574 1.00 0.00 H new ATOM 535 N GLN A 38 -0.431 -7.632 -11.486 1.00 0.00 N ATOM 536 CA GLN A 38 -1.625 -6.796 -11.537 1.00 0.00 C ATOM 537 C GLN A 38 -2.647 -7.366 -12.516 1.00 0.00 C ATOM 538 O GLN A 38 -2.344 -7.578 -13.690 1.00 0.00 O ATOM 539 CB GLN A 38 -1.257 -5.367 -11.939 1.00 0.00 C ATOM 540 CG GLN A 38 -2.402 -4.379 -11.788 1.00 0.00 C ATOM 541 CD GLN A 38 -1.934 -2.937 -11.800 1.00 0.00 C ATOM 542 OE1 GLN A 38 -0.891 -2.606 -11.236 1.00 0.00 O ATOM 543 NE2 GLN A 38 -2.705 -2.069 -12.445 1.00 0.00 N ATOM 0 H GLN A 38 -0.138 -8.004 -12.389 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.070 -6.782 -10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.417 -5.032 -11.331 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.921 -5.365 -12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.117 -4.532 -12.596 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.928 -4.578 -10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.561 -2.387 -12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.441 -1.085 -12.487 1.00 0.00 H new ATOM 552 N ARG A 39 -3.857 -7.611 -12.024 1.00 0.00 N ATOM 553 CA ARG A 39 -4.923 -8.157 -12.856 1.00 0.00 C ATOM 554 C ARG A 39 -5.678 -7.042 -13.574 1.00 0.00 C ATOM 555 O ARG A 39 -5.795 -5.928 -13.063 1.00 0.00 O ATOM 556 CB ARG A 39 -5.893 -8.978 -12.005 1.00 0.00 C ATOM 557 CG ARG A 39 -5.517 -10.447 -11.899 1.00 0.00 C ATOM 558 CD ARG A 39 -6.269 -11.136 -10.771 1.00 0.00 C ATOM 559 NE ARG A 39 -5.894 -12.541 -10.641 1.00 0.00 N ATOM 560 CZ ARG A 39 -6.164 -13.277 -9.569 1.00 0.00 C ATOM 561 NH1 ARG A 39 -6.809 -12.744 -8.540 1.00 0.00 N ATOM 562 NH2 ARG A 39 -5.790 -14.549 -9.525 1.00 0.00 N ATOM 0 H ARG A 39 -4.124 -7.440 -11.054 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.469 -8.806 -13.605 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.937 -8.550 -11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.894 -8.898 -12.430 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.735 -10.948 -12.842 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.444 -10.538 -11.731 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.068 -10.619 -9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.341 -11.062 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.398 -12.981 -11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.099 -11.767 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.015 -13.312 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.295 -14.963 -10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.998 -15.113 -8.701 1.00 0.00 H new ATOM 576 N LYS A 40 -6.188 -7.349 -14.761 1.00 0.00 N ATOM 577 CA LYS A 40 -6.933 -6.375 -15.550 1.00 0.00 C ATOM 578 C LYS A 40 -8.032 -5.725 -14.715 1.00 0.00 C ATOM 579 O LYS A 40 -8.797 -6.409 -14.038 1.00 0.00 O ATOM 580 CB LYS A 40 -7.544 -7.046 -16.783 1.00 0.00 C ATOM 581 CG LYS A 40 -8.662 -8.019 -16.454 1.00 0.00 C ATOM 582 CD LYS A 40 -9.331 -8.545 -17.713 1.00 0.00 C ATOM 583 CE LYS A 40 -10.444 -9.528 -17.383 1.00 0.00 C ATOM 584 NZ LYS A 40 -9.913 -10.796 -16.809 1.00 0.00 N ATOM 0 H LYS A 40 -6.099 -8.266 -15.199 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.239 -5.599 -15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.929 -6.276 -17.452 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.760 -7.576 -17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.262 -8.853 -15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.403 -7.524 -15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.738 -7.712 -18.285 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.588 -9.033 -18.344 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.135 -9.070 -16.675 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.013 -9.749 -18.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.681 -11.494 -16.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.161 -11.168 -17.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.525 -10.613 -15.861 1.00 0.00 H new ATOM 598 N GLY A 41 -8.104 -4.398 -14.770 1.00 0.00 N ATOM 599 CA GLY A 41 -9.113 -3.678 -14.016 1.00 0.00 C ATOM 600 C GLY A 41 -8.671 -3.376 -12.598 1.00 0.00 C ATOM 601 O GLY A 41 -8.827 -2.253 -12.118 1.00 0.00 O ATOM 0 H GLY A 41 -7.481 -3.809 -15.323 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.347 -2.744 -14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.031 -4.265 -13.990 1.00 0.00 H new ATOM 605 N SER A 42 -8.119 -4.380 -11.925 1.00 0.00 N ATOM 606 CA SER A 42 -7.657 -4.217 -10.551 1.00 0.00 C ATOM 607 C SER A 42 -6.331 -3.464 -10.509 1.00 0.00 C ATOM 608 O SER A 42 -5.492 -3.612 -11.397 1.00 0.00 O ATOM 609 CB SER A 42 -7.504 -5.582 -9.877 1.00 0.00 C ATOM 610 OG SER A 42 -6.364 -6.267 -10.367 1.00 0.00 O ATOM 0 H SER A 42 -7.981 -5.315 -12.308 1.00 0.00 H new ATOM 0 HA SER A 42 -8.402 -3.634 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.418 -5.451 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.397 -6.181 -10.055 1.00 0.00 H new ATOM 0 HG SER A 42 -6.219 -6.031 -11.307 1.00 0.00 H new ATOM 616 N ALA A 43 -6.150 -2.656 -9.470 1.00 0.00 N ATOM 617 CA ALA A 43 -4.926 -1.881 -9.309 1.00 0.00 C ATOM 618 C ALA A 43 -3.984 -2.543 -8.308 1.00 0.00 C ATOM 619 O ALA A 43 -2.774 -2.605 -8.526 1.00 0.00 O ATOM 620 CB ALA A 43 -5.253 -0.462 -8.870 1.00 0.00 C ATOM 0 H ALA A 43 -6.836 -2.521 -8.727 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.420 -1.843 -10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.329 0.105 -8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.880 0.016 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.784 -0.489 -7.919 1.00 0.00 H new ATOM 626 N HIS A 44 -4.548 -3.035 -7.209 1.00 0.00 N ATOM 627 CA HIS A 44 -3.758 -3.692 -6.174 1.00 0.00 C ATOM 628 C HIS A 44 -2.680 -4.577 -6.792 1.00 0.00 C ATOM 629 O HIS A 44 -2.922 -5.268 -7.783 1.00 0.00 O ATOM 630 CB HIS A 44 -4.661 -4.527 -5.267 1.00 0.00 C ATOM 631 CG HIS A 44 -5.781 -3.745 -4.652 1.00 0.00 C ATOM 632 ND1 HIS A 44 -7.100 -3.898 -5.027 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.774 -2.801 -3.683 1.00 0.00 C ATOM 634 CE1 HIS A 44 -7.854 -3.080 -4.315 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.074 -2.403 -3.492 1.00 0.00 N ATOM 0 H HIS A 44 -5.548 -2.991 -7.013 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.271 -2.920 -5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.079 -5.352 -5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.058 -4.967 -4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.907 -2.429 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.927 -2.981 -4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.387 -1.699 -2.823 1.00 0.00 H new ATOM 644 N LEU A 45 -1.490 -4.550 -6.203 1.00 0.00 N ATOM 645 CA LEU A 45 -0.373 -5.349 -6.697 1.00 0.00 C ATOM 646 C LEU A 45 -0.105 -6.536 -5.777 1.00 0.00 C ATOM 647 O LEU A 45 -0.696 -6.648 -4.703 1.00 0.00 O ATOM 648 CB LEU A 45 0.884 -4.487 -6.816 1.00 0.00 C ATOM 649 CG LEU A 45 0.836 -3.371 -7.861 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.775 -2.239 -7.476 1.00 0.00 C ATOM 651 CD2 LEU A 45 1.188 -3.914 -9.238 1.00 0.00 C ATOM 0 H LEU A 45 -1.273 -3.984 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.639 -5.729 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.086 -4.038 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.727 -5.139 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.180 -2.977 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.728 -1.454 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.477 -1.832 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.795 -2.618 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.149 -3.106 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.193 -4.336 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.475 -4.690 -9.516 1.00 0.00 H new ATOM 663 N PHE A 46 0.793 -7.418 -6.204 1.00 0.00 N ATOM 664 CA PHE A 46 1.142 -8.595 -5.417 1.00 0.00 C ATOM 665 C PHE A 46 2.610 -8.965 -5.613 1.00 0.00 C ATOM 666 O PHE A 46 3.249 -8.530 -6.571 1.00 0.00 O ATOM 667 CB PHE A 46 0.251 -9.777 -5.806 1.00 0.00 C ATOM 668 CG PHE A 46 -1.197 -9.575 -5.460 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.659 -9.838 -4.180 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.094 -9.122 -6.413 1.00 0.00 C ATOM 671 CE1 PHE A 46 -2.991 -9.655 -3.859 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.427 -8.936 -6.097 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.876 -9.202 -4.818 1.00 0.00 C ATOM 0 H PHE A 46 1.292 -7.340 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 46 0.982 -8.358 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.339 -9.951 -6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.614 -10.675 -5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.971 -10.190 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.748 -8.912 -7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.340 -9.866 -2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.117 -8.583 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.917 -9.056 -4.568 1.00 0.00 H new ATOM 683 N CYS A 47 3.138 -9.770 -4.698 1.00 0.00 N ATOM 684 CA CYS A 47 4.530 -10.198 -4.767 1.00 0.00 C ATOM 685 C CYS A 47 4.698 -11.340 -5.765 1.00 0.00 C ATOM 686 O CYS A 47 5.653 -11.364 -6.542 1.00 0.00 O ATOM 687 CB CYS A 47 5.019 -10.637 -3.385 1.00 0.00 C ATOM 688 SG CYS A 47 4.359 -12.245 -2.839 1.00 0.00 S ATOM 0 H CYS A 47 2.623 -10.140 -3.899 1.00 0.00 H new ATOM 0 HA CYS A 47 5.129 -9.352 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.108 -10.688 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.743 -9.876 -2.655 1.00 0.00 H new ATOM 693 N SER A 48 3.764 -12.285 -5.738 1.00 0.00 N ATOM 694 CA SER A 48 3.810 -13.432 -6.637 1.00 0.00 C ATOM 695 C SER A 48 2.415 -14.009 -6.855 1.00 0.00 C ATOM 696 O SER A 48 1.498 -13.760 -6.071 1.00 0.00 O ATOM 697 CB SER A 48 4.738 -14.511 -6.075 1.00 0.00 C ATOM 698 OG SER A 48 6.062 -14.023 -5.935 1.00 0.00 O ATOM 0 H SER A 48 2.966 -12.279 -5.103 1.00 0.00 H new ATOM 0 HA SER A 48 4.198 -13.093 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.366 -14.846 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.735 -15.378 -6.735 1.00 0.00 H new ATOM 0 HG SER A 48 6.107 -13.101 -6.263 1.00 0.00 H new ATOM 704 N THR A 49 2.261 -14.782 -7.925 1.00 0.00 N ATOM 705 CA THR A 49 0.978 -15.394 -8.248 1.00 0.00 C ATOM 706 C THR A 49 0.369 -16.072 -7.026 1.00 0.00 C ATOM 707 O THR A 49 -0.816 -15.906 -6.736 1.00 0.00 O ATOM 708 CB THR A 49 1.119 -16.430 -9.379 1.00 0.00 C ATOM 709 OG1 THR A 49 2.193 -17.331 -9.087 1.00 0.00 O ATOM 710 CG2 THR A 49 1.374 -15.745 -10.713 1.00 0.00 C ATOM 0 H THR A 49 3.009 -14.999 -8.583 1.00 0.00 H new ATOM 0 HA THR A 49 0.320 -14.591 -8.580 1.00 0.00 H new ATOM 0 HB THR A 49 0.185 -16.988 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.275 -17.988 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.470 -16.497 -11.496 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.541 -15.082 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.294 -15.164 -10.654 1.00 0.00 H new ATOM 718 N THR A 50 1.188 -16.838 -6.310 1.00 0.00 N ATOM 719 CA THR A 50 0.729 -17.541 -5.119 1.00 0.00 C ATOM 720 C THR A 50 -0.177 -16.656 -4.272 1.00 0.00 C ATOM 721 O THR A 50 -1.215 -17.100 -3.781 1.00 0.00 O ATOM 722 CB THR A 50 1.914 -18.018 -4.258 1.00 0.00 C ATOM 723 OG1 THR A 50 1.431 -18.710 -3.101 1.00 0.00 O ATOM 724 CG2 THR A 50 2.778 -16.842 -3.828 1.00 0.00 C ATOM 0 H THR A 50 2.172 -16.987 -6.535 1.00 0.00 H new ATOM 0 HA THR A 50 0.165 -18.409 -5.462 1.00 0.00 H new ATOM 0 HB THR A 50 2.522 -18.695 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.190 -19.011 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.608 -17.203 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.167 -16.335 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.178 -16.144 -3.244 1.00 0.00 H new ATOM 732 N CYS A 51 0.222 -15.399 -4.103 1.00 0.00 N ATOM 733 CA CYS A 51 -0.554 -14.449 -3.315 1.00 0.00 C ATOM 734 C CYS A 51 -1.759 -13.944 -4.104 1.00 0.00 C ATOM 735 O CYS A 51 -2.900 -14.055 -3.654 1.00 0.00 O ATOM 736 CB CYS A 51 0.323 -13.270 -2.891 1.00 0.00 C ATOM 737 SG CYS A 51 1.487 -13.656 -1.544 1.00 0.00 S ATOM 0 H CYS A 51 1.079 -15.015 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.915 -14.963 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.887 -12.921 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.320 -12.447 -2.577 1.00 0.00 H new ATOM 742 N LEU A 52 -1.497 -13.388 -5.282 1.00 0.00 N ATOM 743 CA LEU A 52 -2.558 -12.865 -6.134 1.00 0.00 C ATOM 744 C LEU A 52 -3.825 -13.705 -6.003 1.00 0.00 C ATOM 745 O LEU A 52 -4.897 -13.185 -5.694 1.00 0.00 O ATOM 746 CB LEU A 52 -2.101 -12.837 -7.593 1.00 0.00 C ATOM 747 CG LEU A 52 -3.186 -12.554 -8.632 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.343 -11.056 -8.846 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.862 -13.250 -9.946 1.00 0.00 C ATOM 0 H LEU A 52 -0.558 -13.288 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.782 -11.849 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.323 -12.080 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.643 -13.798 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.131 -12.949 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.120 -10.874 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.622 -10.581 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.400 -10.638 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.645 -13.037 -10.673 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.907 -12.886 -10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.801 -14.326 -9.783 1.00 0.00 H new ATOM 761 N SER A 53 -3.693 -15.006 -6.238 1.00 0.00 N ATOM 762 CA SER A 53 -4.828 -15.918 -6.148 1.00 0.00 C ATOM 763 C SER A 53 -5.298 -16.059 -4.703 1.00 0.00 C ATOM 764 O SER A 53 -6.491 -15.973 -4.415 1.00 0.00 O ATOM 765 CB SER A 53 -4.452 -17.291 -6.710 1.00 0.00 C ATOM 766 OG SER A 53 -5.609 -18.057 -7.000 1.00 0.00 O ATOM 0 H SER A 53 -2.812 -15.453 -6.492 1.00 0.00 H new ATOM 0 HA SER A 53 -5.644 -15.502 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.858 -17.167 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.830 -17.824 -5.991 1.00 0.00 H new ATOM 0 HG SER A 53 -5.342 -18.929 -7.359 1.00 0.00 H new ATOM 772 N SER A 54 -4.349 -16.278 -3.797 1.00 0.00 N ATOM 773 CA SER A 54 -4.665 -16.435 -2.383 1.00 0.00 C ATOM 774 C SER A 54 -5.617 -15.338 -1.913 1.00 0.00 C ATOM 775 O SER A 54 -6.659 -15.617 -1.320 1.00 0.00 O ATOM 776 CB SER A 54 -3.384 -16.406 -1.546 1.00 0.00 C ATOM 777 OG SER A 54 -3.583 -17.026 -0.288 1.00 0.00 O ATOM 0 H SER A 54 -3.356 -16.351 -4.018 1.00 0.00 H new ATOM 0 HA SER A 54 -5.156 -17.399 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.583 -16.915 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.065 -15.374 -1.400 1.00 0.00 H new ATOM 0 HG SER A 54 -2.750 -16.996 0.227 1.00 0.00 H new ATOM 783 N PHE A 55 -5.250 -14.090 -2.183 1.00 0.00 N ATOM 784 CA PHE A 55 -6.070 -12.950 -1.788 1.00 0.00 C ATOM 785 C PHE A 55 -7.498 -13.104 -2.302 1.00 0.00 C ATOM 786 O PHE A 55 -8.460 -12.938 -1.552 1.00 0.00 O ATOM 787 CB PHE A 55 -5.462 -11.650 -2.318 1.00 0.00 C ATOM 788 CG PHE A 55 -5.917 -10.428 -1.573 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.738 -10.330 -0.203 1.00 0.00 C ATOM 790 CD2 PHE A 55 -6.524 -9.378 -2.243 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.155 -9.206 0.486 1.00 0.00 C ATOM 792 CE2 PHE A 55 -6.943 -8.252 -1.559 1.00 0.00 C ATOM 793 CZ PHE A 55 -6.759 -8.167 -0.193 1.00 0.00 C ATOM 0 H PHE A 55 -4.391 -13.842 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.097 -12.913 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.376 -11.717 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.720 -11.541 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.267 -11.141 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.671 -9.440 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.008 -9.141 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.414 -7.440 -2.093 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.087 -7.289 0.343 1.00 0.00 H new ATOM 803 N SER A 56 -7.628 -13.421 -3.586 1.00 0.00 N ATOM 804 CA SER A 56 -8.939 -13.592 -4.202 1.00 0.00 C ATOM 805 C SER A 56 -9.887 -14.332 -3.264 1.00 0.00 C ATOM 806 O SER A 56 -9.575 -15.419 -2.778 1.00 0.00 O ATOM 807 CB SER A 56 -8.809 -14.356 -5.521 1.00 0.00 C ATOM 808 OG SER A 56 -9.842 -13.996 -6.423 1.00 0.00 O ATOM 0 H SER A 56 -6.842 -13.565 -4.220 1.00 0.00 H new ATOM 0 HA SER A 56 -9.352 -12.603 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.839 -14.147 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.847 -15.428 -5.329 1.00 0.00 H new ATOM 0 HG SER A 56 -9.736 -14.497 -7.259 1.00 0.00 H new ATOM 814 N SER A 57 -11.048 -13.734 -3.014 1.00 0.00 N ATOM 815 CA SER A 57 -12.042 -14.333 -2.131 1.00 0.00 C ATOM 816 C SER A 57 -13.431 -14.277 -2.760 1.00 0.00 C ATOM 817 O SER A 57 -14.010 -13.203 -2.918 1.00 0.00 O ATOM 818 CB SER A 57 -12.052 -13.616 -0.780 1.00 0.00 C ATOM 819 OG SER A 57 -12.396 -12.249 -0.930 1.00 0.00 O ATOM 0 H SER A 57 -11.323 -12.835 -3.411 1.00 0.00 H new ATOM 0 HA SER A 57 -11.774 -15.378 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.763 -14.102 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.070 -13.698 -0.314 1.00 0.00 H new ATOM 0 HG SER A 57 -13.073 -12.157 -1.632 1.00 0.00 H new ATOM 825 N GLY A 58 -13.959 -15.444 -3.117 1.00 0.00 N ATOM 826 CA GLY A 58 -15.276 -15.507 -3.725 1.00 0.00 C ATOM 827 C GLY A 58 -15.623 -16.899 -4.213 1.00 0.00 C ATOM 828 O GLY A 58 -15.368 -17.259 -5.362 1.00 0.00 O ATOM 0 H GLY A 58 -13.499 -16.346 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.023 -15.183 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.320 -14.810 -4.562 1.00 0.00 H new ATOM 832 N PRO A 59 -16.218 -17.710 -3.325 1.00 0.00 N ATOM 833 CA PRO A 59 -16.613 -19.084 -3.649 1.00 0.00 C ATOM 834 C PRO A 59 -17.781 -19.137 -4.628 1.00 0.00 C ATOM 835 O PRO A 59 -18.175 -20.211 -5.081 1.00 0.00 O ATOM 836 CB PRO A 59 -17.025 -19.663 -2.293 1.00 0.00 C ATOM 837 CG PRO A 59 -17.430 -18.481 -1.483 1.00 0.00 C ATOM 838 CD PRO A 59 -16.553 -17.347 -1.938 1.00 0.00 C ATOM 0 HA PRO A 59 -15.809 -19.635 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.847 -20.371 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.200 -20.200 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -18.483 -18.245 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.298 -18.674 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.074 -16.391 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.660 -17.256 -1.319 1.00 0.00 H new ATOM 846 N SER A 60 -18.329 -17.970 -4.951 1.00 0.00 N ATOM 847 CA SER A 60 -19.455 -17.884 -5.874 1.00 0.00 C ATOM 848 C SER A 60 -19.035 -17.220 -7.182 1.00 0.00 C ATOM 849 O SER A 60 -18.978 -15.994 -7.278 1.00 0.00 O ATOM 850 CB SER A 60 -20.605 -17.102 -5.238 1.00 0.00 C ATOM 851 OG SER A 60 -21.141 -17.798 -4.126 1.00 0.00 O ATOM 0 H SER A 60 -18.012 -17.071 -4.587 1.00 0.00 H new ATOM 0 HA SER A 60 -19.792 -18.897 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 60 -20.250 -16.121 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 60 -21.388 -16.934 -5.978 1.00 0.00 H new ATOM 0 HG SER A 60 -21.873 -17.277 -3.736 1.00 0.00 H new ATOM 857 N SER A 61 -18.741 -18.039 -8.187 1.00 0.00 N ATOM 858 CA SER A 61 -18.323 -17.532 -9.488 1.00 0.00 C ATOM 859 C SER A 61 -19.006 -18.300 -10.616 1.00 0.00 C ATOM 860 O SER A 61 -18.718 -19.473 -10.847 1.00 0.00 O ATOM 861 CB SER A 61 -16.803 -17.634 -9.635 1.00 0.00 C ATOM 862 OG SER A 61 -16.143 -16.814 -8.686 1.00 0.00 O ATOM 0 H SER A 61 -18.785 -19.056 -8.125 1.00 0.00 H new ATOM 0 HA SER A 61 -18.618 -16.485 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.491 -18.670 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.511 -17.337 -10.642 1.00 0.00 H new ATOM 0 HG SER A 61 -15.173 -16.898 -8.799 1.00 0.00 H new ATOM 868 N GLY A 62 -19.915 -17.627 -11.315 1.00 0.00 N ATOM 869 CA GLY A 62 -20.627 -18.261 -12.410 1.00 0.00 C ATOM 870 C GLY A 62 -19.690 -18.884 -13.427 1.00 0.00 C ATOM 871 O GLY A 62 -19.856 -18.641 -14.621 1.00 0.00 O ATOM 0 H GLY A 62 -20.171 -16.655 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -21.289 -19.030 -12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -21.257 -17.523 -12.906 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.681 -11.666 -1.334 1.00 0.00 ZN