USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0.75 (180deg=0.667) USER MOD Single : A 5 GLN : amide:sc= 0.599 K(o=0.6,f=-3.5!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00512 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.712 K(o=0.71,f=-1.3) USER MOD Single : B 1 PHE N :NH3+ -160:sc= 0.0922 (180deg=-0.0689) USER MOD Single : B 3 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0.159 K(o=0.16,f=-1.1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 16 TYR OH : rot 180:sc= 0.506 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 54:sc= 0.0218 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.377 -4.662 8.395 1.00 0.00 N ATOM 2 CA GLY A 1 -5.559 -3.889 7.433 1.00 0.00 C ATOM 3 C GLY A 1 -4.121 -3.748 7.910 1.00 0.00 C ATOM 4 O GLY A 1 -3.845 -3.896 9.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.285 -4.914 7.955 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.870 -5.529 8.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.552 -4.086 9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.574 -4.383 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.996 -2.900 7.295 1.00 0.00 H new ATOM 10 N ILE A 2 -3.188 -3.471 6.990 1.00 0.00 N ATOM 11 CA ILE A 2 -1.742 -3.385 7.277 1.00 0.00 C ATOM 12 C ILE A 2 -1.400 -2.246 8.266 1.00 0.00 C ATOM 13 O ILE A 2 -2.068 -1.209 8.301 1.00 0.00 O ATOM 14 CB ILE A 2 -0.942 -3.350 5.949 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.561 -3.664 6.104 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.098 -2.012 5.207 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.852 -5.069 6.649 1.00 0.00 C ATOM 0 H ILE A 2 -3.415 -3.297 6.011 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.431 -4.286 7.806 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.386 -4.152 5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.047 -3.554 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.009 -2.927 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.519 -2.038 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.149 -1.847 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.737 -1.201 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.930 -5.212 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.397 -5.179 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.436 -5.815 5.972 1.00 0.00 H new ATOM 29 N VAL A 3 -0.386 -2.464 9.116 1.00 0.00 N ATOM 30 CA VAL A 3 -0.150 -1.686 10.354 1.00 0.00 C ATOM 31 C VAL A 3 0.309 -0.242 10.091 1.00 0.00 C ATOM 32 O VAL A 3 -0.085 0.678 10.808 1.00 0.00 O ATOM 33 CB VAL A 3 0.872 -2.410 11.264 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.976 -1.761 12.651 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.504 -3.887 11.486 1.00 0.00 C ATOM 0 H VAL A 3 0.308 -3.196 8.966 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.114 -1.621 10.859 1.00 0.00 H new ATOM 0 HB VAL A 3 1.823 -2.330 10.738 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.705 -2.304 13.253 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.294 -0.724 12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.003 -1.794 13.142 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.249 -4.355 12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.476 -3.951 11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.478 -4.404 10.527 1.00 0.00 H new ATOM 45 N GLU A 4 1.117 -0.031 9.051 1.00 0.00 N ATOM 46 CA GLU A 4 1.648 1.273 8.621 1.00 0.00 C ATOM 47 C GLU A 4 1.512 1.446 7.098 1.00 0.00 C ATOM 48 O GLU A 4 1.274 0.472 6.379 1.00 0.00 O ATOM 49 CB GLU A 4 3.123 1.414 9.049 1.00 0.00 C ATOM 50 CG GLU A 4 3.348 1.494 10.569 1.00 0.00 C ATOM 51 CD GLU A 4 2.719 2.735 11.244 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.450 3.757 10.564 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 2.531 2.714 12.485 1.00 0.00 O ATOM 0 H GLU A 4 1.436 -0.795 8.456 1.00 0.00 H new ATOM 0 HA GLU A 4 1.065 2.057 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.683 0.565 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.537 2.310 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.938 0.597 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.420 1.493 10.766 1.00 0.00 H new ATOM 60 N GLN A 5 1.652 2.680 6.596 1.00 0.00 N ATOM 61 CA GLN A 5 1.560 2.981 5.163 1.00 0.00 C ATOM 62 C GLN A 5 2.518 4.084 4.684 1.00 0.00 C ATOM 63 O GLN A 5 2.816 5.040 5.406 1.00 0.00 O ATOM 64 CB GLN A 5 0.102 3.285 4.759 1.00 0.00 C ATOM 65 CG GLN A 5 -0.594 4.390 5.574 1.00 0.00 C ATOM 66 CD GLN A 5 -1.976 4.760 5.025 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.377 4.403 3.923 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.758 5.512 5.769 1.00 0.00 N ATOM 0 H GLN A 5 1.833 3.500 7.175 1.00 0.00 H new ATOM 0 HA GLN A 5 1.890 2.078 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.086 3.569 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.481 2.368 4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.696 4.061 6.608 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.037 5.279 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.444 5.820 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.678 5.787 5.426 1.00 0.00 H new ATOM 77 N CYS A 6 2.948 3.971 3.424 1.00 0.00 N ATOM 78 CA CYS A 6 3.808 4.920 2.707 1.00 0.00 C ATOM 79 C CYS A 6 3.021 6.171 2.260 1.00 0.00 C ATOM 80 O CYS A 6 2.754 6.368 1.069 1.00 0.00 O ATOM 81 CB CYS A 6 4.460 4.175 1.531 1.00 0.00 C ATOM 82 SG CYS A 6 5.462 2.736 2.004 1.00 0.00 S ATOM 0 H CYS A 6 2.692 3.172 2.844 1.00 0.00 H new ATOM 0 HA CYS A 6 4.591 5.294 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.677 3.846 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.090 4.874 0.981 1.00 0.00 H new ATOM 87 N CYS A 7 2.572 6.973 3.233 1.00 0.00 N ATOM 88 CA CYS A 7 1.692 8.127 3.015 1.00 0.00 C ATOM 89 C CYS A 7 2.444 9.469 2.958 1.00 0.00 C ATOM 90 O CYS A 7 2.149 10.308 2.107 1.00 0.00 O ATOM 91 CB CYS A 7 0.595 8.125 4.091 1.00 0.00 C ATOM 92 SG CYS A 7 -0.881 9.097 3.680 1.00 0.00 S ATOM 0 H CYS A 7 2.815 6.835 4.214 1.00 0.00 H new ATOM 0 HA CYS A 7 1.238 8.025 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.293 7.095 4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.017 8.508 5.020 1.00 0.00 H new ATOM 97 N THR A 8 3.447 9.651 3.822 1.00 0.00 N ATOM 98 CA THR A 8 4.391 10.790 3.804 1.00 0.00 C ATOM 99 C THR A 8 5.744 10.410 3.189 1.00 0.00 C ATOM 100 O THR A 8 6.406 11.252 2.577 1.00 0.00 O ATOM 101 CB THR A 8 4.608 11.341 5.222 1.00 0.00 C ATOM 102 OG1 THR A 8 4.972 10.294 6.100 1.00 0.00 O ATOM 103 CG2 THR A 8 3.342 11.997 5.776 1.00 0.00 C ATOM 0 H THR A 8 3.637 8.994 4.579 1.00 0.00 H new ATOM 0 HA THR A 8 3.940 11.561 3.179 1.00 0.00 H new ATOM 0 HB THR A 8 5.400 12.087 5.155 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.110 10.655 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.537 12.374 6.780 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.048 12.823 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.538 11.262 5.814 1.00 0.00 H new ATOM 111 N SER A 9 6.132 9.135 3.293 1.00 0.00 N ATOM 112 CA SER A 9 7.326 8.538 2.686 1.00 0.00 C ATOM 113 C SER A 9 7.032 7.857 1.344 1.00 0.00 C ATOM 114 O SER A 9 5.929 7.365 1.097 1.00 0.00 O ATOM 115 CB SER A 9 7.966 7.542 3.662 1.00 0.00 C ATOM 116 OG SER A 9 7.012 6.592 4.121 1.00 0.00 O ATOM 0 H SER A 9 5.593 8.456 3.831 1.00 0.00 H new ATOM 0 HA SER A 9 8.023 9.350 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.791 7.026 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.387 8.080 4.512 1.00 0.00 H new ATOM 0 HG SER A 9 7.444 5.967 4.740 1.00 0.00 H new ATOM 122 N ILE A 10 8.045 7.818 0.476 1.00 0.00 N ATOM 123 CA ILE A 10 8.019 7.147 -0.834 1.00 0.00 C ATOM 124 C ILE A 10 8.771 5.815 -0.724 1.00 0.00 C ATOM 125 O ILE A 10 9.862 5.760 -0.152 1.00 0.00 O ATOM 126 CB ILE A 10 8.584 8.088 -1.925 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.674 9.334 -2.036 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.699 7.370 -3.279 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.164 10.410 -3.006 1.00 0.00 C ATOM 0 H ILE A 10 8.940 8.268 0.669 1.00 0.00 H new ATOM 0 HA ILE A 10 6.997 6.918 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 10 9.590 8.397 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.680 9.012 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.571 9.779 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.099 8.059 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.366 6.514 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.713 7.028 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.459 11.241 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.144 10.767 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.239 9.989 -4.009 1.00 0.00 H new ATOM 141 N CYS A 11 8.184 4.739 -1.255 1.00 0.00 N ATOM 142 CA CYS A 11 8.629 3.366 -1.011 1.00 0.00 C ATOM 143 C CYS A 11 8.947 2.609 -2.309 1.00 0.00 C ATOM 144 O CYS A 11 8.048 2.210 -3.055 1.00 0.00 O ATOM 145 CB CYS A 11 7.553 2.649 -0.187 1.00 0.00 C ATOM 146 SG CYS A 11 7.359 3.277 1.503 1.00 0.00 S ATOM 0 H CYS A 11 7.376 4.799 -1.874 1.00 0.00 H new ATOM 0 HA CYS A 11 9.566 3.392 -0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.598 2.736 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.795 1.587 -0.141 1.00 0.00 H new ATOM 151 N SER A 12 10.238 2.347 -2.530 1.00 0.00 N ATOM 152 CA SER A 12 10.724 1.362 -3.509 1.00 0.00 C ATOM 153 C SER A 12 10.307 -0.062 -3.107 1.00 0.00 C ATOM 154 O SER A 12 9.981 -0.310 -1.945 1.00 0.00 O ATOM 155 CB SER A 12 12.253 1.437 -3.627 1.00 0.00 C ATOM 156 OG SER A 12 12.671 2.754 -3.952 1.00 0.00 O ATOM 0 H SER A 12 10.990 2.819 -2.027 1.00 0.00 H new ATOM 0 HA SER A 12 10.276 1.598 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.710 1.127 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.597 0.742 -4.393 1.00 0.00 H new ATOM 0 HG SER A 12 13.648 2.779 -4.021 1.00 0.00 H new ATOM 162 N LEU A 13 10.362 -1.031 -4.028 1.00 0.00 N ATOM 163 CA LEU A 13 9.926 -2.412 -3.755 1.00 0.00 C ATOM 164 C LEU A 13 10.694 -3.062 -2.586 1.00 0.00 C ATOM 165 O LEU A 13 10.096 -3.784 -1.792 1.00 0.00 O ATOM 166 CB LEU A 13 10.022 -3.269 -5.031 1.00 0.00 C ATOM 167 CG LEU A 13 8.807 -3.146 -5.973 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.674 -1.774 -6.631 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.910 -4.191 -7.084 1.00 0.00 C ATOM 0 H LEU A 13 10.706 -0.886 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 13 8.883 -2.362 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.921 -2.985 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.140 -4.314 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 13 7.928 -3.300 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.797 -1.764 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.565 -1.010 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.565 -1.567 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.050 -4.102 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.826 -4.029 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.927 -5.188 -6.645 1.00 0.00 H new ATOM 181 N TYR A 14 11.977 -2.728 -2.408 1.00 0.00 N ATOM 182 CA TYR A 14 12.783 -3.132 -1.245 1.00 0.00 C ATOM 183 C TYR A 14 12.169 -2.692 0.103 1.00 0.00 C ATOM 184 O TYR A 14 12.230 -3.433 1.086 1.00 0.00 O ATOM 185 CB TYR A 14 14.193 -2.545 -1.414 1.00 0.00 C ATOM 186 CG TYR A 14 15.093 -2.720 -0.204 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.803 -3.921 -0.014 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.183 -1.690 0.754 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.601 -4.096 1.135 1.00 0.00 C ATOM 190 CE2 TYR A 14 15.968 -1.866 1.909 1.00 0.00 C ATOM 191 CZ TYR A 14 16.682 -3.068 2.103 1.00 0.00 C ATOM 192 OH TYR A 14 17.442 -3.230 3.221 1.00 0.00 O ATOM 0 H TYR A 14 12.495 -2.160 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 14 12.815 -4.221 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.668 -3.014 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.107 -1.482 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.736 -4.709 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.649 -0.764 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.150 -5.015 1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.024 -1.080 2.648 1.00 0.00 H new ATOM 0 HH TYR A 14 17.383 -2.425 3.776 1.00 0.00 H new ATOM 202 N GLN A 15 11.542 -1.510 0.151 1.00 0.00 N ATOM 203 CA GLN A 15 10.846 -1.001 1.340 1.00 0.00 C ATOM 204 C GLN A 15 9.469 -1.664 1.502 1.00 0.00 C ATOM 205 O GLN A 15 9.082 -2.033 2.611 1.00 0.00 O ATOM 206 CB GLN A 15 10.687 0.530 1.262 1.00 0.00 C ATOM 207 CG GLN A 15 12.003 1.312 1.095 1.00 0.00 C ATOM 208 CD GLN A 15 12.956 1.240 2.293 1.00 0.00 C ATOM 209 OE1 GLN A 15 12.658 0.721 3.362 1.00 0.00 O ATOM 210 NE2 GLN A 15 14.151 1.777 2.165 1.00 0.00 N ATOM 0 H GLN A 15 11.503 -0.872 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 15 11.452 -1.250 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.030 0.770 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.189 0.875 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.522 0.936 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.765 2.358 0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.422 2.215 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.806 1.755 2.946 1.00 0.00 H new ATOM 219 N LEU A 16 8.749 -1.869 0.390 1.00 0.00 N ATOM 220 CA LEU A 16 7.450 -2.560 0.370 1.00 0.00 C ATOM 221 C LEU A 16 7.549 -4.022 0.845 1.00 0.00 C ATOM 222 O LEU A 16 6.633 -4.511 1.503 1.00 0.00 O ATOM 223 CB LEU A 16 6.851 -2.502 -1.046 1.00 0.00 C ATOM 224 CG LEU A 16 6.497 -1.104 -1.576 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.881 -1.215 -2.970 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.510 -0.361 -0.675 1.00 0.00 C ATOM 0 H LEU A 16 9.055 -1.557 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 16 6.796 -2.042 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.559 -2.961 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.948 -3.113 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 16 7.429 -0.539 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.633 -0.220 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.595 -1.685 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.975 -1.820 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.297 0.620 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.585 -0.932 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.943 -0.240 0.318 1.00 0.00 H new ATOM 238 N GLU A 17 8.668 -4.705 0.592 1.00 0.00 N ATOM 239 CA GLU A 17 8.905 -6.080 1.055 1.00 0.00 C ATOM 240 C GLU A 17 8.890 -6.240 2.590 1.00 0.00 C ATOM 241 O GLU A 17 8.678 -7.349 3.087 1.00 0.00 O ATOM 242 CB GLU A 17 10.217 -6.629 0.464 1.00 0.00 C ATOM 243 CG GLU A 17 10.038 -7.125 -0.978 1.00 0.00 C ATOM 244 CD GLU A 17 11.364 -7.678 -1.537 1.00 0.00 C ATOM 245 OE1 GLU A 17 11.665 -8.878 -1.317 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.116 -6.926 -2.206 1.00 0.00 O1- ATOM 0 H GLU A 17 9.444 -4.318 0.055 1.00 0.00 H new ATOM 0 HA GLU A 17 8.063 -6.668 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.978 -5.849 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.580 -7.447 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.274 -7.902 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.686 -6.307 -1.607 1.00 0.00 H new ATOM 253 N ASN A 18 9.023 -5.154 3.365 1.00 0.00 N ATOM 254 CA ASN A 18 8.842 -5.186 4.821 1.00 0.00 C ATOM 255 C ASN A 18 7.405 -5.593 5.224 1.00 0.00 C ATOM 256 O ASN A 18 7.215 -6.292 6.223 1.00 0.00 O ATOM 257 CB ASN A 18 9.221 -3.808 5.388 1.00 0.00 C ATOM 258 CG ASN A 18 9.192 -3.784 6.908 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.256 -3.304 7.531 1.00 0.00 O ATOM 260 ND2 ASN A 18 10.210 -4.308 7.556 1.00 0.00 N ATOM 0 H ASN A 18 9.259 -4.231 3.000 1.00 0.00 H new ATOM 0 HA ASN A 18 9.494 -5.950 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.218 -3.536 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.533 -3.056 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.217 -4.313 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.992 -4.709 7.038 1.00 0.00 H new ATOM 267 N TYR A 19 6.400 -5.234 4.416 1.00 0.00 N ATOM 268 CA TYR A 19 4.990 -5.578 4.641 1.00 0.00 C ATOM 269 C TYR A 19 4.639 -7.036 4.274 1.00 0.00 C ATOM 270 O TYR A 19 3.517 -7.481 4.527 1.00 0.00 O ATOM 271 CB TYR A 19 4.098 -4.579 3.893 1.00 0.00 C ATOM 272 CG TYR A 19 4.268 -3.122 4.294 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.884 -2.693 5.579 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.774 -2.187 3.370 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.989 -1.335 5.932 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.896 -0.830 3.723 1.00 0.00 C ATOM 277 CZ TYR A 19 4.498 -0.397 5.008 1.00 0.00 C ATOM 278 OH TYR A 19 4.610 0.914 5.362 1.00 0.00 O ATOM 0 H TYR A 19 6.547 -4.685 3.569 1.00 0.00 H new ATOM 0 HA TYR A 19 4.806 -5.506 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.297 -4.669 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.057 -4.861 4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.508 -3.408 6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.070 -2.514 2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.679 -1.009 6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.293 -0.120 3.013 1.00 0.00 H new ATOM 0 HH TYR A 19 4.979 1.425 4.612 1.00 0.00 H new ATOM 288 N CYS A 20 5.586 -7.810 3.730 1.00 0.00 N ATOM 289 CA CYS A 20 5.444 -9.264 3.576 1.00 0.00 C ATOM 290 C CYS A 20 5.704 -10.022 4.901 1.00 0.00 C ATOM 291 O CYS A 20 5.361 -11.200 5.024 1.00 0.00 O ATOM 292 CB CYS A 20 6.377 -9.773 2.465 1.00 0.00 C ATOM 293 SG CYS A 20 6.486 -8.833 0.909 1.00 0.00 S ATOM 0 H CYS A 20 6.474 -7.446 3.384 1.00 0.00 H new ATOM 0 HA CYS A 20 4.410 -9.465 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.382 -9.838 2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.069 -10.789 2.216 1.00 0.00 H new ATOM 298 N ASN A 21 6.299 -9.353 5.899 1.00 0.00 N ATOM 299 CA ASN A 21 6.669 -9.886 7.218 1.00 0.00 C ATOM 300 C ASN A 21 7.411 -11.237 7.153 1.00 0.00 C ATOM 301 O ASN A 21 8.467 -11.355 6.515 1.00 0.00 O ATOM 302 CB ASN A 21 5.416 -9.923 8.117 1.00 0.00 C ATOM 303 CG ASN A 21 5.713 -10.238 9.576 1.00 0.00 C ATOM 304 OD1 ASN A 21 6.847 -10.431 9.995 1.00 0.00 O ATOM 305 ND2 ASN A 21 4.697 -10.305 10.401 1.00 0.00 N ATOM 0 H ASN A 21 6.549 -8.369 5.802 1.00 0.00 H new ATOM 0 HA ASN A 21 7.400 -9.212 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.911 -8.959 8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.724 -10.670 7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.853 -10.517 11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.750 -10.145 10.058 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 3.990 2.562 -9.091 1.00 0.00 N ATOM 314 CA PHE B 1 3.913 2.933 -7.675 1.00 0.00 C ATOM 315 C PHE B 1 5.288 3.088 -6.990 1.00 0.00 C ATOM 316 O PHE B 1 5.371 3.589 -5.870 1.00 0.00 O ATOM 317 CB PHE B 1 3.011 1.929 -6.936 1.00 0.00 C ATOM 318 CG PHE B 1 3.378 0.460 -7.088 1.00 0.00 C ATOM 319 CD1 PHE B 1 4.515 -0.068 -6.442 1.00 0.00 C ATOM 320 CD2 PHE B 1 2.563 -0.392 -7.862 1.00 0.00 C ATOM 321 CE1 PHE B 1 4.843 -1.428 -6.588 1.00 0.00 C ATOM 322 CE2 PHE B 1 2.886 -1.754 -7.998 1.00 0.00 C ATOM 323 CZ PHE B 1 4.030 -2.271 -7.366 1.00 0.00 C ATOM 0 H1 PHE B 1 3.094 2.801 -9.562 1.00 0.00 H new ATOM 0 H2 PHE B 1 4.769 3.081 -9.544 1.00 0.00 H new ATOM 0 H3 PHE B 1 4.162 1.540 -9.173 1.00 0.00 H new ATOM 0 HA PHE B 1 3.472 3.928 -7.623 1.00 0.00 H new ATOM 0 HB2 PHE B 1 3.020 2.177 -5.875 1.00 0.00 H new ATOM 0 HB3 PHE B 1 1.988 2.065 -7.286 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.135 0.573 -5.834 1.00 0.00 H new ATOM 0 HD2 PHE B 1 1.686 0.004 -8.353 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.721 -1.826 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE B 1 2.255 -2.402 -8.588 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.284 -3.315 -7.478 1.00 0.00 H new ATOM 333 N VAL B 2 6.373 2.685 -7.661 1.00 0.00 N ATOM 334 CA VAL B 2 7.743 2.607 -7.107 1.00 0.00 C ATOM 335 C VAL B 2 8.363 3.973 -6.754 1.00 0.00 C ATOM 336 O VAL B 2 9.212 4.055 -5.866 1.00 0.00 O ATOM 337 CB VAL B 2 8.634 1.804 -8.083 1.00 0.00 C ATOM 338 CG1 VAL B 2 8.857 2.507 -9.431 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.002 1.444 -7.496 1.00 0.00 C ATOM 0 H VAL B 2 6.327 2.393 -8.637 1.00 0.00 H new ATOM 0 HA VAL B 2 7.678 2.090 -6.150 1.00 0.00 H new ATOM 0 HB VAL B 2 8.065 0.890 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.491 1.886 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.897 2.665 -9.922 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.342 3.469 -9.264 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.577 0.882 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.538 2.357 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.866 0.837 -6.601 1.00 0.00 H new ATOM 349 N ASN B 3 7.937 5.050 -7.424 1.00 0.00 N ATOM 350 CA ASN B 3 8.530 6.395 -7.333 1.00 0.00 C ATOM 351 C ASN B 3 7.577 7.452 -6.719 1.00 0.00 C ATOM 352 O ASN B 3 7.810 8.655 -6.842 1.00 0.00 O ATOM 353 CB ASN B 3 9.068 6.756 -8.735 1.00 0.00 C ATOM 354 CG ASN B 3 9.975 7.979 -8.758 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.669 9.007 -9.346 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.140 7.898 -8.152 1.00 0.00 N ATOM 0 H ASN B 3 7.145 5.011 -8.066 1.00 0.00 H new ATOM 0 HA ASN B 3 9.358 6.392 -6.624 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.617 5.902 -9.132 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.224 6.931 -9.402 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.783 8.690 -8.174 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.401 7.043 -7.660 1.00 0.00 H new ATOM 363 N GLN B 4 6.493 7.016 -6.067 1.00 0.00 N ATOM 364 CA GLN B 4 5.451 7.880 -5.488 1.00 0.00 C ATOM 365 C GLN B 4 4.903 7.338 -4.154 1.00 0.00 C ATOM 366 O GLN B 4 5.171 6.200 -3.768 1.00 0.00 O ATOM 367 CB GLN B 4 4.331 8.093 -6.526 1.00 0.00 C ATOM 368 CG GLN B 4 3.632 6.796 -6.975 1.00 0.00 C ATOM 369 CD GLN B 4 2.523 7.072 -7.989 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.340 7.099 -7.673 1.00 0.00 O ATOM 371 NE2 GLN B 4 2.851 7.291 -9.246 1.00 0.00 N ATOM 0 H GLN B 4 6.309 6.023 -5.922 1.00 0.00 H new ATOM 0 HA GLN B 4 5.901 8.843 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.585 8.768 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.752 8.588 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.366 6.120 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN B 4 3.212 6.289 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN B 4 3.831 7.273 -9.528 1.00 0.00 H new ATOM 0 HE22 GLN B 4 2.125 7.479 -9.937 1.00 0.00 H new ATOM 380 N HIS B 5 4.120 8.156 -3.446 1.00 0.00 N ATOM 381 CA HIS B 5 3.357 7.747 -2.257 1.00 0.00 C ATOM 382 C HIS B 5 2.246 6.747 -2.624 1.00 0.00 C ATOM 383 O HIS B 5 1.704 6.796 -3.732 1.00 0.00 O ATOM 384 CB HIS B 5 2.765 8.993 -1.579 1.00 0.00 C ATOM 385 CG HIS B 5 3.794 10.051 -1.259 1.00 0.00 C ATOM 386 ND1 HIS B 5 4.182 11.096 -2.105 1.00 0.00 N ATOM 387 CD2 HIS B 5 4.534 10.114 -0.119 1.00 0.00 C ATOM 388 CE1 HIS B 5 5.138 11.768 -1.441 1.00 0.00 C ATOM 389 NE2 HIS B 5 5.359 11.208 -0.239 1.00 0.00 N ATOM 0 H HIS B 5 3.994 9.140 -3.685 1.00 0.00 H new ATOM 0 HA HIS B 5 4.031 7.244 -1.563 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.003 9.423 -2.229 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.265 8.693 -0.658 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.483 9.435 0.719 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.656 12.636 -1.820 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.023 11.537 0.462 1.00 0.00 H new ATOM 397 N LEU B 6 1.889 5.852 -1.697 1.00 0.00 N ATOM 398 CA LEU B 6 0.947 4.742 -1.937 1.00 0.00 C ATOM 399 C LEU B 6 -0.317 4.795 -1.048 1.00 0.00 C ATOM 400 O LEU B 6 -1.094 3.844 -1.022 1.00 0.00 O ATOM 401 CB LEU B 6 1.668 3.384 -1.809 1.00 0.00 C ATOM 402 CG LEU B 6 2.878 3.148 -2.738 1.00 0.00 C ATOM 403 CD1 LEU B 6 4.204 3.523 -2.071 1.00 0.00 C ATOM 404 CD2 LEU B 6 2.973 1.662 -3.094 1.00 0.00 C ATOM 0 H LEU B 6 2.249 5.874 -0.743 1.00 0.00 H new ATOM 0 HA LEU B 6 0.588 4.859 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.005 3.274 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.940 2.594 -1.992 1.00 0.00 H new ATOM 0 HG LEU B 6 2.720 3.773 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.025 3.339 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.189 4.578 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.344 2.919 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.828 1.499 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.098 1.077 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.061 1.351 -3.603 1.00 0.00 H new ATOM 416 N CYS B 7 -0.522 5.879 -0.297 1.00 0.00 N ATOM 417 CA CYS B 7 -1.528 5.988 0.768 1.00 0.00 C ATOM 418 C CYS B 7 -2.942 5.510 0.367 1.00 0.00 C ATOM 419 O CYS B 7 -3.452 5.857 -0.703 1.00 0.00 O ATOM 420 CB CYS B 7 -1.562 7.447 1.222 1.00 0.00 C ATOM 421 SG CYS B 7 -2.165 7.713 2.907 1.00 0.00 S ATOM 0 H CYS B 7 0.023 6.733 -0.415 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.232 5.318 1.575 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.556 7.859 1.143 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.192 8.011 0.534 1.00 0.00 H new ATOM 426 N GLY B 8 -3.588 4.730 1.240 1.00 0.00 N ATOM 427 CA GLY B 8 -4.872 4.079 0.959 1.00 0.00 C ATOM 428 C GLY B 8 -4.741 2.861 0.031 1.00 0.00 C ATOM 429 O GLY B 8 -3.844 2.029 0.197 1.00 0.00 O ATOM 0 H GLY B 8 -3.229 4.530 2.174 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.326 3.765 1.899 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.548 4.803 0.504 1.00 0.00 H new ATOM 433 N SER B 9 -5.656 2.733 -0.934 1.00 0.00 N ATOM 434 CA SER B 9 -5.826 1.532 -1.773 1.00 0.00 C ATOM 435 C SER B 9 -4.594 1.159 -2.610 1.00 0.00 C ATOM 436 O SER B 9 -4.320 -0.026 -2.809 1.00 0.00 O ATOM 437 CB SER B 9 -7.019 1.719 -2.718 1.00 0.00 C ATOM 438 OG SER B 9 -8.187 2.074 -1.988 1.00 0.00 O ATOM 0 H SER B 9 -6.317 3.476 -1.163 1.00 0.00 H new ATOM 0 HA SER B 9 -5.991 0.713 -1.073 1.00 0.00 H new ATOM 0 HB2 SER B 9 -6.792 2.494 -3.450 1.00 0.00 H new ATOM 0 HB3 SER B 9 -7.197 0.798 -3.274 1.00 0.00 H new ATOM 0 HG SER B 9 -8.937 2.191 -2.608 1.00 0.00 H new ATOM 444 N HIS B 10 -3.812 2.144 -3.067 1.00 0.00 N ATOM 445 CA HIS B 10 -2.643 1.911 -3.928 1.00 0.00 C ATOM 446 C HIS B 10 -1.560 1.058 -3.252 1.00 0.00 C ATOM 447 O HIS B 10 -0.878 0.295 -3.936 1.00 0.00 O ATOM 448 CB HIS B 10 -2.072 3.255 -4.401 1.00 0.00 C ATOM 449 CG HIS B 10 -3.050 4.070 -5.214 1.00 0.00 C ATOM 450 ND1 HIS B 10 -4.012 4.943 -4.693 1.00 0.00 N ATOM 451 CD2 HIS B 10 -3.153 4.062 -6.575 1.00 0.00 C ATOM 452 CE1 HIS B 10 -4.670 5.442 -5.755 1.00 0.00 C ATOM 453 NE2 HIS B 10 -4.174 4.931 -6.895 1.00 0.00 N ATOM 0 H HIS B 10 -3.971 3.128 -2.851 1.00 0.00 H new ATOM 0 HA HIS B 10 -2.982 1.336 -4.790 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -1.761 3.835 -3.532 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -1.179 3.072 -4.998 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -2.553 3.488 -7.265 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -5.482 6.152 -5.699 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -4.498 5.149 -7.837 1.00 0.00 H new ATOM 461 N LEU B 11 -1.428 1.126 -1.922 1.00 0.00 N ATOM 462 CA LEU B 11 -0.468 0.331 -1.158 1.00 0.00 C ATOM 463 C LEU B 11 -0.850 -1.150 -1.133 1.00 0.00 C ATOM 464 O LEU B 11 -0.009 -1.992 -1.439 1.00 0.00 O ATOM 465 CB LEU B 11 -0.327 0.913 0.261 1.00 0.00 C ATOM 466 CG LEU B 11 0.679 0.166 1.149 1.00 0.00 C ATOM 467 CD1 LEU B 11 2.103 0.173 0.587 1.00 0.00 C ATOM 468 CD2 LEU B 11 0.721 0.813 2.524 1.00 0.00 C ATOM 0 H LEU B 11 -1.994 1.744 -1.341 1.00 0.00 H new ATOM 0 HA LEU B 11 0.502 0.386 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.023 1.957 0.185 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.303 0.900 0.746 1.00 0.00 H new ATOM 0 HG LEU B 11 0.337 -0.868 1.195 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.763 -0.371 1.262 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.110 -0.306 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.451 1.201 0.490 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.435 0.283 3.154 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.027 1.855 2.427 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.269 0.766 2.979 1.00 0.00 H new ATOM 480 N VAL B 12 -2.103 -1.494 -0.825 1.00 0.00 N ATOM 481 CA VAL B 12 -2.540 -2.895 -0.828 1.00 0.00 C ATOM 482 C VAL B 12 -2.552 -3.470 -2.246 1.00 0.00 C ATOM 483 O VAL B 12 -2.104 -4.595 -2.444 1.00 0.00 O ATOM 484 CB VAL B 12 -3.880 -3.087 -0.097 1.00 0.00 C ATOM 485 CG1 VAL B 12 -3.742 -2.707 1.381 1.00 0.00 C ATOM 486 CG2 VAL B 12 -5.063 -2.303 -0.674 1.00 0.00 C ATOM 0 H VAL B 12 -2.831 -0.826 -0.571 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.807 -3.468 -0.261 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.106 -4.145 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.699 -2.848 1.884 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.988 -3.339 1.850 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.441 -1.663 1.462 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.957 -2.509 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.844 -1.236 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.231 -2.606 -1.708 1.00 0.00 H new ATOM 496 N GLU B 13 -2.944 -2.682 -3.253 1.00 0.00 N ATOM 497 CA GLU B 13 -2.857 -3.078 -4.670 1.00 0.00 C ATOM 498 C GLU B 13 -1.410 -3.345 -5.124 1.00 0.00 C ATOM 499 O GLU B 13 -1.171 -4.308 -5.856 1.00 0.00 O ATOM 500 CB GLU B 13 -3.500 -2.008 -5.567 1.00 0.00 C ATOM 501 CG GLU B 13 -5.032 -2.023 -5.477 1.00 0.00 C ATOM 502 CD GLU B 13 -5.653 -0.962 -6.407 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.840 -1.248 -7.616 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -5.970 0.158 -5.940 1.00 0.00 O ATOM 0 H GLU B 13 -3.332 -1.749 -3.112 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.405 -4.015 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.130 -1.024 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.196 -2.172 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.406 -3.011 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.341 -1.835 -4.449 1.00 0.00 H new ATOM 511 N ALA B 14 -0.437 -2.555 -4.655 1.00 0.00 N ATOM 512 CA ALA B 14 0.984 -2.824 -4.872 1.00 0.00 C ATOM 513 C ALA B 14 1.445 -4.092 -4.131 1.00 0.00 C ATOM 514 O ALA B 14 2.102 -4.950 -4.718 1.00 0.00 O ATOM 515 CB ALA B 14 1.795 -1.596 -4.442 1.00 0.00 C ATOM 0 H ALA B 14 -0.616 -1.710 -4.113 1.00 0.00 H new ATOM 0 HA ALA B 14 1.151 -3.012 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.856 -1.787 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.490 -0.733 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.616 -1.394 -3.386 1.00 0.00 H new ATOM 521 N LEU B 15 1.073 -4.263 -2.861 1.00 0.00 N ATOM 522 CA LEU B 15 1.523 -5.387 -2.034 1.00 0.00 C ATOM 523 C LEU B 15 0.932 -6.740 -2.462 1.00 0.00 C ATOM 524 O LEU B 15 1.635 -7.746 -2.367 1.00 0.00 O ATOM 525 CB LEU B 15 1.264 -5.065 -0.555 1.00 0.00 C ATOM 526 CG LEU B 15 2.160 -3.932 -0.013 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.704 -3.524 1.385 1.00 0.00 C ATOM 528 CD2 LEU B 15 3.627 -4.348 0.065 1.00 0.00 C ATOM 0 H LEU B 15 0.447 -3.622 -2.373 1.00 0.00 H new ATOM 0 HA LEU B 15 2.596 -5.507 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.218 -4.784 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.427 -5.964 0.040 1.00 0.00 H new ATOM 0 HG LEU B 15 2.068 -3.097 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.344 -2.724 1.757 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.672 -3.174 1.344 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.770 -4.382 2.054 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.220 -3.519 0.452 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.727 -5.207 0.729 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.983 -4.615 -0.930 1.00 0.00 H new ATOM 540 N TYR B 16 -0.264 -6.774 -3.059 1.00 0.00 N ATOM 541 CA TYR B 16 -0.791 -7.971 -3.735 1.00 0.00 C ATOM 542 C TYR B 16 0.030 -8.406 -4.972 1.00 0.00 C ATOM 543 O TYR B 16 -0.159 -9.518 -5.468 1.00 0.00 O ATOM 544 CB TYR B 16 -2.279 -7.777 -4.088 1.00 0.00 C ATOM 545 CG TYR B 16 -3.224 -7.949 -2.909 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.243 -9.169 -2.202 1.00 0.00 C ATOM 547 CD2 TYR B 16 -4.091 -6.909 -2.522 1.00 0.00 C ATOM 548 CE1 TYR B 16 -4.080 -9.325 -1.082 1.00 0.00 C ATOM 549 CE2 TYR B 16 -4.919 -7.056 -1.393 1.00 0.00 C ATOM 550 CZ TYR B 16 -4.908 -8.263 -0.662 1.00 0.00 C ATOM 551 OH TYR B 16 -5.691 -8.402 0.444 1.00 0.00 O ATOM 0 H TYR B 16 -0.896 -5.974 -3.089 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.695 -8.792 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.415 -6.780 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.553 -8.489 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.613 -9.986 -2.521 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.121 -5.994 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.089 -10.260 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.563 -6.245 -1.086 1.00 0.00 H new ATOM 0 HH TYR B 16 -6.197 -7.576 0.593 1.00 0.00 H new ATOM 561 N LEU B 17 0.968 -7.575 -5.453 1.00 0.00 N ATOM 562 CA LEU B 17 1.937 -7.903 -6.511 1.00 0.00 C ATOM 563 C LEU B 17 3.363 -8.103 -5.957 1.00 0.00 C ATOM 564 O LEU B 17 4.050 -9.045 -6.352 1.00 0.00 O ATOM 565 CB LEU B 17 1.915 -6.799 -7.590 1.00 0.00 C ATOM 566 CG LEU B 17 0.549 -6.553 -8.260 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.656 -5.376 -9.229 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.056 -7.774 -9.040 1.00 0.00 C ATOM 0 H LEU B 17 1.076 -6.623 -5.104 1.00 0.00 H new ATOM 0 HA LEU B 17 1.641 -8.853 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU B 17 2.251 -5.866 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.638 -7.057 -8.364 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.164 -6.342 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.311 -5.204 -9.701 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.957 -4.482 -8.683 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.399 -5.601 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.910 -7.551 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.775 -8.021 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.049 -8.621 -8.362 1.00 0.00 H new ATOM 580 N VAL B 18 3.799 -7.248 -5.024 1.00 0.00 N ATOM 581 CA VAL B 18 5.166 -7.238 -4.454 1.00 0.00 C ATOM 582 C VAL B 18 5.374 -8.359 -3.426 1.00 0.00 C ATOM 583 O VAL B 18 6.417 -9.012 -3.432 1.00 0.00 O ATOM 584 CB VAL B 18 5.480 -5.850 -3.854 1.00 0.00 C ATOM 585 CG1 VAL B 18 6.857 -5.762 -3.183 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.458 -4.784 -4.956 1.00 0.00 C ATOM 0 H VAL B 18 3.201 -6.522 -4.629 1.00 0.00 H new ATOM 0 HA VAL B 18 5.869 -7.433 -5.264 1.00 0.00 H new ATOM 0 HB VAL B 18 4.713 -5.685 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.005 -4.758 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.912 -6.486 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.634 -5.980 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.680 -3.809 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.206 -5.025 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.471 -4.759 -5.419 1.00 0.00 H new ATOM 596 N CYS B 19 4.365 -8.632 -2.593 1.00 0.00 N ATOM 597 CA CYS B 19 4.319 -9.788 -1.688 1.00 0.00 C ATOM 598 C CYS B 19 3.492 -10.968 -2.244 1.00 0.00 C ATOM 599 O CYS B 19 3.558 -12.071 -1.697 1.00 0.00 O ATOM 600 CB CYS B 19 3.760 -9.354 -0.329 1.00 0.00 C ATOM 601 SG CYS B 19 4.647 -8.041 0.537 1.00 0.00 S ATOM 0 H CYS B 19 3.536 -8.041 -2.527 1.00 0.00 H new ATOM 0 HA CYS B 19 5.342 -10.149 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.730 -9.029 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.730 -10.229 0.321 1.00 0.00 H new ATOM 606 N GLY B 20 2.720 -10.758 -3.316 1.00 0.00 N ATOM 607 CA GLY B 20 1.817 -11.760 -3.894 1.00 0.00 C ATOM 608 C GLY B 20 0.536 -11.971 -3.074 1.00 0.00 C ATOM 609 O GLY B 20 0.058 -11.066 -2.389 1.00 0.00 O ATOM 0 H GLY B 20 2.705 -9.869 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.546 -11.455 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.346 -12.709 -3.979 1.00 0.00 H new ATOM 613 N GLU B 21 -0.032 -13.177 -3.142 1.00 0.00 N ATOM 614 CA GLU B 21 -1.218 -13.571 -2.363 1.00 0.00 C ATOM 615 C GLU B 21 -0.965 -13.597 -0.839 1.00 0.00 C ATOM 616 O GLU B 21 0.183 -13.606 -0.382 1.00 0.00 O ATOM 617 CB GLU B 21 -1.765 -14.916 -2.880 1.00 0.00 C ATOM 618 CG GLU B 21 -0.830 -16.112 -2.638 1.00 0.00 C ATOM 619 CD GLU B 21 -1.407 -17.394 -3.269 1.00 0.00 C ATOM 620 OE1 GLU B 21 -2.222 -18.090 -2.614 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 -1.048 -17.721 -4.427 1.00 0.00 O ATOM 0 H GLU B 21 0.320 -13.920 -3.746 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.977 -12.803 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.723 -15.115 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.957 -14.830 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.152 -15.903 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.690 -16.259 -1.567 1.00 0.00 H new ATOM 628 N ARG B 22 -2.037 -13.621 -0.035 1.00 0.00 N ATOM 629 CA ARG B 22 -1.958 -13.654 1.441 1.00 0.00 C ATOM 630 C ARG B 22 -1.233 -14.917 1.925 1.00 0.00 C ATOM 631 O ARG B 22 -1.557 -16.023 1.484 1.00 0.00 O ATOM 632 CB ARG B 22 -3.358 -13.551 2.070 1.00 0.00 C ATOM 633 CG ARG B 22 -4.114 -12.281 1.647 1.00 0.00 C ATOM 634 CD ARG B 22 -5.470 -12.193 2.354 1.00 0.00 C ATOM 635 NE ARG B 22 -6.271 -11.065 1.841 1.00 0.00 N ATOM 636 CZ ARG B 22 -7.584 -10.938 1.896 1.00 0.00 C ATOM 637 NH1 ARG B 22 -8.350 -11.799 2.506 1.00 0.00 N ATOM 638 NH2 ARG B 22 -8.156 -9.922 1.321 1.00 0.00 N1+ ATOM 0 H ARG B 22 -2.994 -13.618 -0.389 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.379 -12.789 1.764 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.943 -14.426 1.787 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.265 -13.567 3.156 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.517 -11.401 1.885 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.262 -12.283 0.567 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -6.018 -13.125 2.212 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.316 -12.074 3.427 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.757 -10.304 1.398 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.939 -12.611 2.966 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -9.360 -11.660 2.523 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -7.591 -9.229 0.831 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -9.170 -9.818 1.360 1.00 0.00 H new ATOM 652 N GLY B 23 -0.250 -14.760 2.813 1.00 0.00 N ATOM 653 CA GLY B 23 0.639 -15.857 3.231 1.00 0.00 C ATOM 654 C GLY B 23 1.992 -15.416 3.815 1.00 0.00 C ATOM 655 O GLY B 23 2.294 -15.751 4.961 1.00 0.00 O ATOM 0 H GLY B 23 -0.044 -13.870 3.266 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.120 -16.461 3.975 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.825 -16.501 2.371 1.00 0.00 H new HETATM 659 N DHI B 24 2.837 -14.652 3.113 1.00 0.00 N HETATM 660 CA DHI B 24 2.690 -14.101 1.754 1.00 0.00 C HETATM 661 C DHI B 24 2.791 -12.573 1.817 1.00 0.00 C HETATM 662 O DHI B 24 3.731 -12.032 2.400 1.00 0.00 O HETATM 663 CB DHI B 24 3.728 -14.725 0.814 1.00 0.00 C HETATM 664 CG DHI B 24 3.433 -16.176 0.522 1.00 0.00 C HETATM 665 ND1 DHI B 24 4.098 -17.276 1.075 1.00 0.00 N HETATM 666 CD2 DHI B 24 2.433 -16.626 -0.289 1.00 0.00 C HETATM 667 CE1 DHI B 24 3.485 -18.364 0.576 1.00 0.00 C HETATM 668 NE2 DHI B 24 2.482 -18.003 -0.244 1.00 0.00 N HETATM 0 HE2 DHI B 24 1.863 -18.639 -0.747 1.00 0.00 H new HETATM 0 HE1 DHI B 24 3.762 -19.393 0.804 1.00 0.00 H new HETATM 0 HD2 DHI B 24 1.733 -16.017 -0.860 1.00 0.00 H new HETATM 0 HD1 DHI B 24 4.885 -17.257 1.723 1.00 0.00 H new HETATM 0 HB3 DHI B 24 3.752 -14.165 -0.121 1.00 0.00 H new HETATM 0 HB2 DHI B 24 4.718 -14.640 1.261 1.00 0.00 H new HETATM 0 HA DHI B 24 1.710 -14.352 1.347 1.00 0.00 H new ATOM 676 N PHE B 25 1.768 -11.870 1.327 1.00 0.00 N ATOM 677 CA PHE B 25 1.363 -10.603 1.949 1.00 0.00 C ATOM 678 C PHE B 25 0.814 -10.904 3.364 1.00 0.00 C ATOM 679 O PHE B 25 0.100 -11.892 3.556 1.00 0.00 O ATOM 680 CB PHE B 25 0.355 -9.884 1.032 1.00 0.00 C ATOM 681 CG PHE B 25 -0.058 -8.459 1.389 1.00 0.00 C ATOM 682 CD1 PHE B 25 0.635 -7.675 2.336 1.00 0.00 C ATOM 683 CD2 PHE B 25 -1.184 -7.910 0.746 1.00 0.00 C ATOM 684 CE1 PHE B 25 0.147 -6.408 2.703 1.00 0.00 C ATOM 685 CE2 PHE B 25 -1.650 -6.626 1.081 1.00 0.00 C ATOM 686 CZ PHE B 25 -0.996 -5.883 2.077 1.00 0.00 C ATOM 0 H PHE B 25 1.213 -12.147 0.517 1.00 0.00 H new ATOM 0 HA PHE B 25 2.207 -9.923 2.069 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.774 -9.867 0.026 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.549 -10.492 0.990 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.545 -8.050 2.781 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.696 -8.482 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE B 25 0.652 -5.837 3.468 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -2.509 -6.212 0.573 1.00 0.00 H new ATOM 0 HZ PHE B 25 -1.371 -4.911 2.361 1.00 0.00 H new ATOM 696 N TYR B 26 1.194 -10.107 4.368 1.00 0.00 N ATOM 697 CA TYR B 26 0.948 -10.401 5.787 1.00 0.00 C ATOM 698 C TYR B 26 -0.522 -10.213 6.219 1.00 0.00 C ATOM 699 O TYR B 26 -1.072 -11.067 6.917 1.00 0.00 O ATOM 700 CB TYR B 26 1.900 -9.519 6.606 1.00 0.00 C ATOM 701 CG TYR B 26 1.738 -9.605 8.111 1.00 0.00 C ATOM 702 CD1 TYR B 26 1.731 -10.853 8.763 1.00 0.00 C ATOM 703 CD2 TYR B 26 1.583 -8.424 8.858 1.00 0.00 C ATOM 704 CE1 TYR B 26 1.539 -10.919 10.156 1.00 0.00 C ATOM 705 CE2 TYR B 26 1.408 -8.485 10.253 1.00 0.00 C ATOM 706 CZ TYR B 26 1.372 -9.736 10.908 1.00 0.00 C ATOM 707 OH TYR B 26 1.196 -9.810 12.255 1.00 0.00 O ATOM 0 H TYR B 26 1.688 -9.227 4.218 1.00 0.00 H new ATOM 0 HA TYR B 26 1.142 -11.459 5.966 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.925 -9.789 6.353 1.00 0.00 H new ATOM 0 HB3 TYR B 26 1.759 -8.482 6.302 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.873 -11.760 8.194 1.00 0.00 H new ATOM 0 HD2 TYR B 26 1.598 -7.466 8.359 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.519 -11.878 10.651 1.00 0.00 H new ATOM 0 HE2 TYR B 26 1.301 -7.574 10.823 1.00 0.00 H new ATOM 0 HH TYR B 26 1.097 -8.907 12.622 1.00 0.00 H new ATOM 717 N THR B 27 -1.144 -9.106 5.794 1.00 0.00 N ATOM 718 CA THR B 27 -2.578 -8.766 5.962 1.00 0.00 C ATOM 719 C THR B 27 -3.181 -9.079 7.352 1.00 0.00 C ATOM 720 O THR B 27 -4.042 -9.959 7.477 1.00 0.00 O ATOM 721 CB THR B 27 -3.452 -9.340 4.822 1.00 0.00 C ATOM 722 OG1 THR B 27 -3.330 -10.742 4.697 1.00 0.00 O ATOM 723 CG2 THR B 27 -3.079 -8.744 3.468 1.00 0.00 C ATOM 0 H THR B 27 -0.638 -8.376 5.293 1.00 0.00 H new ATOM 0 HA THR B 27 -2.594 -7.678 5.897 1.00 0.00 H new ATOM 0 HB THR B 27 -4.474 -9.077 5.095 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.506 -11.164 5.564 1.00 0.00 H new ATOM 0 HG21 THR B 27 -3.715 -9.173 2.694 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.219 -7.663 3.495 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.036 -8.970 3.246 1.00 0.00 H new ATOM 731 N PRO B 28 -2.753 -8.373 8.417 1.00 0.00 N ATOM 732 CA PRO B 28 -3.235 -8.599 9.780 1.00 0.00 C ATOM 733 C PRO B 28 -4.674 -8.096 9.996 1.00 0.00 C ATOM 734 O PRO B 28 -5.160 -7.205 9.289 1.00 0.00 O ATOM 735 CB PRO B 28 -2.226 -7.885 10.684 1.00 0.00 C ATOM 736 CG PRO B 28 -1.749 -6.721 9.817 1.00 0.00 C ATOM 737 CD PRO B 28 -1.780 -7.291 8.399 1.00 0.00 C ATOM 0 HA PRO B 28 -3.295 -9.664 10.006 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -2.688 -7.537 11.608 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -1.403 -8.541 10.967 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.403 -5.854 9.915 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -0.747 -6.397 10.097 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.064 -6.525 7.678 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -0.796 -7.657 8.105 1.00 0.00 H new ATOM 745 N LYS B 29 -5.346 -8.662 11.005 1.00 0.00 N ATOM 746 CA LYS B 29 -6.732 -8.354 11.416 1.00 0.00 C ATOM 747 C LYS B 29 -6.846 -8.189 12.942 1.00 0.00 C ATOM 748 O LYS B 29 -6.016 -8.711 13.691 1.00 0.00 O ATOM 749 CB LYS B 29 -7.690 -9.456 10.918 1.00 0.00 C ATOM 750 CG LYS B 29 -7.791 -9.526 9.384 1.00 0.00 C ATOM 751 CD LYS B 29 -8.736 -10.633 8.892 1.00 0.00 C ATOM 752 CE LYS B 29 -10.198 -10.382 9.289 1.00 0.00 C ATOM 753 NZ LYS B 29 -11.099 -11.435 8.754 1.00 0.00 N1+ ATOM 0 H LYS B 29 -4.923 -9.383 11.589 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.015 -7.405 10.961 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.352 -10.420 11.297 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.682 -9.280 11.333 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.138 -8.565 9.005 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.798 -9.693 8.968 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.666 -10.709 7.807 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -8.412 -11.590 9.300 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.280 -10.350 10.375 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.515 -9.408 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.078 -11.233 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.039 -11.449 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.812 -12.361 9.130 1.00 0.00 H new ATOM 767 N THR B 30 -7.883 -7.473 13.391 1.00 0.00 N ATOM 768 CA THR B 30 -8.214 -7.255 14.817 1.00 0.00 C ATOM 769 C THR B 30 -8.836 -8.498 15.475 1.00 0.00 C ATOM 770 O THR B 30 -9.657 -9.189 14.826 1.00 0.00 O ATOM 771 CB THR B 30 -9.071 -5.990 14.986 1.00 0.00 C ATOM 772 OG1 THR B 30 -9.182 -5.651 16.352 1.00 0.00 O ATOM 773 CG2 THR B 30 -10.484 -6.085 14.403 1.00 0.00 C ATOM 774 OXT THR B 30 -8.456 -8.821 16.625 1.00 0.00 O1- ATOM 0 H THR B 30 -8.539 -7.013 12.759 1.00 0.00 H new ATOM 0 HA THR B 30 -7.281 -7.087 15.355 1.00 0.00 H new ATOM 0 HB THR B 30 -8.543 -5.223 14.419 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.729 -4.843 16.445 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.011 -5.146 14.571 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.423 -6.281 13.332 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.025 -6.896 14.890 1.00 0.00 H new TER 782 THR B 30