USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 HIS : no HE2:sc= -0.71 K(o=-0.59,f=-1.1) USER MOD Set 1.2: A 36 TYR OH : rot -90:sc= 0.12 USER MOD Set 2.1: A 13 HIS :FLIP no HD1:sc= -0.549 F(o=-1.1,f=-0.55) USER MOD Set 2.2: A 14 TYR OH : rot 110:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 142:sc= -0.157 (180deg=-1.55!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0824 USER MOD Single : A 18 THR OG1 : rot 50:sc= 0.203 USER MOD Single : A 21 SER OG : rot -20:sc= 0.41 USER MOD Single : A 23 LYS NZ :NH3+ 137:sc= -0.138 (180deg=-1.85!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.048) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0.218 (180deg=0.172) USER MOD Single : A 62 CYS SG : rot 131:sc= 0.94 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 MET CE :methyl -162:sc= -1.14 (180deg=-1.95) USER MOD Single : A 68 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.732 5.859 3.836 1.00 0.00 N ATOM 2 CA LEU A 1 10.279 6.028 3.853 1.00 0.00 C ATOM 3 C LEU A 1 9.572 4.973 3.049 1.00 0.00 C ATOM 4 O LEU A 1 10.107 4.433 2.082 1.00 0.00 O ATOM 5 CB LEU A 1 9.857 7.459 3.398 1.00 0.00 C ATOM 6 CG LEU A 1 9.905 7.818 1.885 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.317 9.220 1.635 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.304 7.676 1.258 1.00 0.00 C ATOM 0 H1 LEU A 1 12.190 6.792 3.792 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.034 5.366 4.700 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.007 5.299 3.004 1.00 0.00 H new ATOM 0 HA LEU A 1 9.967 5.904 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.836 7.626 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.492 8.172 3.925 1.00 0.00 H new ATOM 0 HG LEU A 1 9.282 7.081 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.361 9.449 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.279 9.244 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.894 9.960 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.258 7.943 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.001 8.339 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.644 6.645 1.357 1.00 0.00 H new ATOM 22 N CYS A 2 8.283 4.717 3.429 1.00 0.00 N ATOM 23 CA CYS A 2 7.280 3.835 2.870 1.00 0.00 C ATOM 24 C CYS A 2 7.030 4.436 1.527 1.00 0.00 C ATOM 25 O CYS A 2 6.961 5.654 1.420 1.00 0.00 O ATOM 26 CB CYS A 2 6.000 3.767 3.757 1.00 0.00 C ATOM 27 SG CYS A 2 4.702 2.685 3.070 1.00 0.00 S ATOM 0 H CYS A 2 7.903 5.201 4.242 1.00 0.00 H new ATOM 0 HA CYS A 2 7.598 2.794 2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.273 3.410 4.750 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.598 4.773 3.880 1.00 0.00 H new ATOM 32 N LEU A 3 6.920 3.606 0.472 1.00 0.00 N ATOM 33 CA LEU A 3 6.798 4.124 -0.864 1.00 0.00 C ATOM 34 C LEU A 3 5.418 3.904 -1.403 1.00 0.00 C ATOM 35 O LEU A 3 5.168 3.947 -2.607 1.00 0.00 O ATOM 36 CB LEU A 3 7.832 3.465 -1.778 1.00 0.00 C ATOM 37 CG LEU A 3 9.285 3.853 -1.410 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.326 2.950 -2.090 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.591 5.342 -1.672 1.00 0.00 C ATOM 0 H LEU A 3 6.915 2.588 0.538 1.00 0.00 H new ATOM 0 HA LEU A 3 6.982 5.198 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.724 2.382 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.634 3.752 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 3 9.364 3.692 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.328 3.266 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.167 1.916 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.223 3.027 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.624 5.555 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.446 5.563 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.920 5.962 -1.076 1.00 0.00 H new ATOM 51 N VAL A 4 4.493 3.684 -0.460 1.00 0.00 N ATOM 52 CA VAL A 4 3.100 3.420 -0.688 1.00 0.00 C ATOM 53 C VAL A 4 2.285 4.472 -0.022 1.00 0.00 C ATOM 54 O VAL A 4 1.546 5.185 -0.693 1.00 0.00 O ATOM 55 CB VAL A 4 2.667 2.023 -0.185 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.218 1.680 -0.565 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.698 0.958 -0.584 1.00 0.00 C ATOM 0 H VAL A 4 4.728 3.690 0.532 1.00 0.00 H new ATOM 0 HA VAL A 4 2.935 3.434 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 4 2.656 2.041 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.968 0.689 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.543 2.416 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.114 1.691 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.374 -0.017 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.789 0.928 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.665 1.205 -0.146 1.00 0.00 H new ATOM 67 N CYS A 5 2.372 4.550 1.326 1.00 0.00 N ATOM 68 CA CYS A 5 1.608 5.495 2.111 1.00 0.00 C ATOM 69 C CYS A 5 2.545 6.549 2.612 1.00 0.00 C ATOM 70 O CYS A 5 2.229 7.227 3.580 1.00 0.00 O ATOM 71 CB CYS A 5 0.746 4.903 3.277 1.00 0.00 C ATOM 72 SG CYS A 5 1.586 4.131 4.720 1.00 0.00 S ATOM 0 H CYS A 5 2.981 3.950 1.883 1.00 0.00 H new ATOM 0 HA CYS A 5 0.853 5.904 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.115 5.706 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.083 4.153 2.845 1.00 0.00 H new ATOM 77 N SER A 6 3.716 6.708 1.946 1.00 0.00 N ATOM 78 CA SER A 6 4.689 7.796 2.115 1.00 0.00 C ATOM 79 C SER A 6 4.896 8.322 3.523 1.00 0.00 C ATOM 80 O SER A 6 4.711 9.503 3.815 1.00 0.00 O ATOM 81 CB SER A 6 4.455 8.928 1.093 1.00 0.00 C ATOM 82 OG SER A 6 3.931 8.438 -0.135 1.00 0.00 O ATOM 0 H SER A 6 4.016 6.038 1.238 1.00 0.00 H new ATOM 0 HA SER A 6 5.645 7.317 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.766 9.660 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.395 9.446 0.905 1.00 0.00 H new ATOM 0 HG SER A 6 3.795 9.185 -0.754 1.00 0.00 H new ATOM 88 N ASP A 7 5.258 7.381 4.418 1.00 0.00 N ATOM 89 CA ASP A 7 5.363 7.580 5.849 1.00 0.00 C ATOM 90 C ASP A 7 6.720 7.023 6.182 1.00 0.00 C ATOM 91 O ASP A 7 7.321 6.384 5.335 1.00 0.00 O ATOM 92 CB ASP A 7 4.227 6.738 6.506 1.00 0.00 C ATOM 93 CG ASP A 7 3.989 6.905 8.019 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.526 7.868 8.627 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.232 6.064 8.575 1.00 0.00 O ATOM 0 H ASP A 7 5.491 6.429 4.136 1.00 0.00 H new ATOM 0 HA ASP A 7 5.264 8.611 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.295 6.975 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.437 5.686 6.315 1.00 0.00 H new ATOM 100 N GLU A 8 7.239 7.198 7.426 1.00 0.00 N ATOM 101 CA GLU A 8 8.539 6.700 7.870 1.00 0.00 C ATOM 102 C GLU A 8 8.526 5.178 7.882 1.00 0.00 C ATOM 103 O GLU A 8 7.722 4.574 8.590 1.00 0.00 O ATOM 104 CB GLU A 8 8.989 7.257 9.252 1.00 0.00 C ATOM 105 CG GLU A 8 7.913 8.076 10.005 1.00 0.00 C ATOM 106 CD GLU A 8 8.459 8.615 11.331 1.00 0.00 C ATOM 107 OE1 GLU A 8 9.394 9.460 11.291 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.943 8.193 12.401 1.00 0.00 O ATOM 0 H GLU A 8 6.740 7.705 8.157 1.00 0.00 H new ATOM 0 HA GLU A 8 9.276 7.064 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.296 6.422 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.867 7.886 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.580 8.905 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.041 7.450 10.195 1.00 0.00 H new ATOM 115 N ALA A 9 9.414 4.543 7.068 1.00 0.00 N ATOM 116 CA ALA A 9 9.474 3.106 6.891 1.00 0.00 C ATOM 117 C ALA A 9 10.537 2.483 7.733 1.00 0.00 C ATOM 118 O ALA A 9 11.511 3.124 8.126 1.00 0.00 O ATOM 119 CB ALA A 9 9.747 2.667 5.436 1.00 0.00 C ATOM 0 H ALA A 9 10.111 5.045 6.517 1.00 0.00 H new ATOM 0 HA ALA A 9 8.482 2.767 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.778 1.579 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.953 3.039 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.704 3.073 5.107 1.00 0.00 H new ATOM 125 N SER A 10 10.334 1.168 8.000 1.00 0.00 N ATOM 126 CA SER A 10 11.244 0.348 8.749 1.00 0.00 C ATOM 127 C SER A 10 10.868 -1.094 8.496 1.00 0.00 C ATOM 128 O SER A 10 10.587 -1.848 9.428 1.00 0.00 O ATOM 129 CB SER A 10 11.306 0.685 10.268 1.00 0.00 C ATOM 130 OG SER A 10 10.013 0.772 10.859 1.00 0.00 O ATOM 0 H SER A 10 9.507 0.663 7.682 1.00 0.00 H new ATOM 0 HA SER A 10 12.258 0.548 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.887 -0.080 10.783 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.830 1.631 10.406 1.00 0.00 H new ATOM 0 HG SER A 10 10.102 0.983 11.812 1.00 0.00 H new ATOM 136 N GLY A 11 10.860 -1.517 7.205 1.00 0.00 N ATOM 137 CA GLY A 11 10.536 -2.883 6.858 1.00 0.00 C ATOM 138 C GLY A 11 10.283 -2.991 5.387 1.00 0.00 C ATOM 139 O GLY A 11 9.141 -2.900 4.942 1.00 0.00 O ATOM 0 H GLY A 11 11.076 -0.919 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.355 -3.544 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.655 -3.209 7.412 1.00 0.00 H new ATOM 143 N CYS A 12 11.361 -3.231 4.596 1.00 0.00 N ATOM 144 CA CYS A 12 11.324 -3.392 3.150 1.00 0.00 C ATOM 145 C CYS A 12 11.116 -4.857 2.838 1.00 0.00 C ATOM 146 O CYS A 12 11.798 -5.709 3.406 1.00 0.00 O ATOM 147 CB CYS A 12 12.621 -2.887 2.446 1.00 0.00 C ATOM 148 SG CYS A 12 14.195 -3.424 3.220 1.00 0.00 S ATOM 0 H CYS A 12 12.303 -3.318 4.977 1.00 0.00 H new ATOM 0 HA CYS A 12 10.505 -2.783 2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.609 -3.229 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.601 -1.797 2.422 1.00 0.00 H new ATOM 0 HG CYS A 12 15.197 -2.944 2.545 1.00 0.00 H new ATOM 154 N HIS A 13 10.157 -5.179 1.928 1.00 0.00 N ATOM 155 CA HIS A 13 9.879 -6.549 1.545 1.00 0.00 C ATOM 156 C HIS A 13 8.905 -6.478 0.405 1.00 0.00 C ATOM 157 O HIS A 13 8.116 -5.541 0.310 1.00 0.00 O ATOM 158 CB HIS A 13 9.300 -7.437 2.685 1.00 0.00 C ATOM 159 CG HIS A 13 9.313 -8.936 2.481 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.530 -9.861 3.097 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 10.300 -9.566 1.735 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 9.019 -11.090 2.720 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 10.075 -10.855 1.903 1.00 0.00 N flip ATOM 0 H HIS A 13 9.573 -4.489 1.456 1.00 0.00 H new ATOM 0 HA HIS A 13 10.820 -7.028 1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.855 -7.217 3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.268 -7.131 2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.079 -9.103 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.636 -12.055 3.017 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.632 -11.591 1.468 1.00 0.00 H new ATOM 171 N TYR A 14 8.972 -7.492 -0.503 1.00 0.00 N ATOM 172 CA TYR A 14 8.173 -7.675 -1.718 1.00 0.00 C ATOM 173 C TYR A 14 8.750 -6.844 -2.831 1.00 0.00 C ATOM 174 O TYR A 14 8.144 -6.577 -3.862 1.00 0.00 O ATOM 175 CB TYR A 14 6.648 -7.530 -1.577 1.00 0.00 C ATOM 176 CG TYR A 14 6.179 -8.346 -0.389 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.522 -9.691 -0.137 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.405 -7.688 0.553 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.140 -10.324 1.053 1.00 0.00 C ATOM 180 CE2 TYR A 14 5.014 -8.303 1.740 1.00 0.00 C ATOM 181 CZ TYR A 14 5.389 -9.624 2.003 1.00 0.00 C ATOM 182 OH TYR A 14 5.019 -10.241 3.218 1.00 0.00 O ATOM 0 H TYR A 14 9.641 -8.252 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 14 8.259 -8.733 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.381 -6.482 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.152 -7.871 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.088 -10.242 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.096 -6.671 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.425 -11.350 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.420 -7.758 2.459 1.00 0.00 H new ATOM 0 HH TYR A 14 5.518 -9.834 3.957 1.00 0.00 H new ATOM 192 N GLY A 15 10.011 -6.474 -2.600 1.00 0.00 N ATOM 193 CA GLY A 15 10.925 -5.797 -3.487 1.00 0.00 C ATOM 194 C GLY A 15 11.045 -4.324 -3.245 1.00 0.00 C ATOM 195 O GLY A 15 11.936 -3.698 -3.819 1.00 0.00 O ATOM 0 H GLY A 15 10.448 -6.665 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.911 -6.251 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.601 -5.959 -4.515 1.00 0.00 H new ATOM 199 N VAL A 16 10.166 -3.725 -2.399 1.00 0.00 N ATOM 200 CA VAL A 16 10.121 -2.285 -2.225 1.00 0.00 C ATOM 201 C VAL A 16 10.095 -1.987 -0.756 1.00 0.00 C ATOM 202 O VAL A 16 9.585 -2.759 0.054 1.00 0.00 O ATOM 203 CB VAL A 16 8.866 -1.649 -2.893 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.820 -0.115 -2.942 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.609 -2.175 -4.316 1.00 0.00 C ATOM 0 H VAL A 16 9.486 -4.235 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 16 11.001 -1.857 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 16 8.079 -1.971 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.900 0.206 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.851 0.283 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.677 0.257 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.721 -1.694 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.469 -1.951 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.455 -3.254 -4.283 1.00 0.00 H new ATOM 215 N LEU A 17 10.579 -0.763 -0.436 1.00 0.00 N ATOM 216 CA LEU A 17 10.657 -0.165 0.880 1.00 0.00 C ATOM 217 C LEU A 17 9.265 0.265 1.254 1.00 0.00 C ATOM 218 O LEU A 17 8.656 1.089 0.575 1.00 0.00 O ATOM 219 CB LEU A 17 11.668 1.004 0.983 1.00 0.00 C ATOM 220 CG LEU A 17 11.846 1.655 2.383 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.242 0.658 3.489 1.00 0.00 C ATOM 222 CD2 LEU A 17 12.843 2.827 2.326 1.00 0.00 C ATOM 0 H LEU A 17 10.946 -0.140 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 17 11.042 -0.905 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.641 0.642 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.361 1.781 0.283 1.00 0.00 H new ATOM 0 HG LEU A 17 10.862 2.035 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.347 1.188 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.470 -0.105 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.190 0.185 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.948 3.264 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.812 2.464 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.475 3.584 1.634 1.00 0.00 H new ATOM 234 N THR A 18 8.745 -0.314 2.352 1.00 0.00 N ATOM 235 CA THR A 18 7.421 -0.064 2.856 1.00 0.00 C ATOM 236 C THR A 18 7.606 0.125 4.311 1.00 0.00 C ATOM 237 O THR A 18 8.696 -0.080 4.838 1.00 0.00 O ATOM 238 CB THR A 18 6.445 -1.265 2.639 1.00 0.00 C ATOM 239 OG1 THR A 18 7.138 -2.509 2.566 1.00 0.00 O ATOM 240 CG2 THR A 18 5.598 -1.092 1.386 1.00 0.00 C ATOM 0 H THR A 18 9.266 -0.986 2.916 1.00 0.00 H new ATOM 0 HA THR A 18 6.981 0.788 2.338 1.00 0.00 H new ATOM 0 HB THR A 18 5.789 -1.277 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.752 -2.586 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.934 -1.949 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.004 -0.182 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.248 -1.020 0.514 1.00 0.00 H new ATOM 248 N CYS A 19 6.502 0.520 4.993 1.00 0.00 N ATOM 249 CA CYS A 19 6.487 0.806 6.411 1.00 0.00 C ATOM 250 C CYS A 19 6.651 -0.437 7.255 1.00 0.00 C ATOM 251 O CYS A 19 7.756 -0.938 7.445 1.00 0.00 O ATOM 252 CB CYS A 19 5.355 1.777 6.880 1.00 0.00 C ATOM 253 SG CYS A 19 3.615 1.415 6.446 1.00 0.00 S ATOM 0 H CYS A 19 5.593 0.644 4.547 1.00 0.00 H new ATOM 0 HA CYS A 19 7.384 1.398 6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.413 1.844 7.966 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.590 2.766 6.486 1.00 0.00 H new ATOM 258 N GLY A 20 5.535 -0.954 7.763 1.00 0.00 N ATOM 259 CA GLY A 20 5.480 -2.148 8.555 1.00 0.00 C ATOM 260 C GLY A 20 4.159 -2.721 8.205 1.00 0.00 C ATOM 261 O GLY A 20 4.044 -3.910 7.917 1.00 0.00 O ATOM 0 H GLY A 20 4.620 -0.527 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.293 -2.831 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.555 -1.929 9.620 1.00 0.00 H new ATOM 265 N SER A 21 3.132 -1.832 8.168 1.00 0.00 N ATOM 266 CA SER A 21 1.752 -2.183 7.900 1.00 0.00 C ATOM 267 C SER A 21 1.498 -2.496 6.441 1.00 0.00 C ATOM 268 O SER A 21 0.658 -3.343 6.162 1.00 0.00 O ATOM 269 CB SER A 21 0.718 -1.181 8.471 1.00 0.00 C ATOM 270 OG SER A 21 0.855 0.133 7.946 1.00 0.00 O ATOM 0 H SER A 21 3.266 -0.834 8.330 1.00 0.00 H new ATOM 0 HA SER A 21 1.593 -3.107 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.287 -1.546 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.820 -1.143 9.556 1.00 0.00 H new ATOM 0 HG SER A 21 1.753 0.243 7.570 1.00 0.00 H new ATOM 276 N CYS A 22 2.239 -1.849 5.486 1.00 0.00 N ATOM 277 CA CYS A 22 2.057 -1.980 4.039 1.00 0.00 C ATOM 278 C CYS A 22 2.486 -3.314 3.514 1.00 0.00 C ATOM 279 O CYS A 22 2.011 -3.761 2.473 1.00 0.00 O ATOM 280 CB CYS A 22 2.634 -0.853 3.169 1.00 0.00 C ATOM 281 SG CYS A 22 1.586 0.622 3.346 1.00 0.00 S ATOM 0 H CYS A 22 2.995 -1.209 5.730 1.00 0.00 H new ATOM 0 HA CYS A 22 0.975 -1.886 3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.656 -0.628 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.673 -1.165 2.125 1.00 0.00 H new ATOM 286 N LYS A 23 3.360 -3.997 4.287 1.00 0.00 N ATOM 287 CA LYS A 23 3.870 -5.324 4.041 1.00 0.00 C ATOM 288 C LYS A 23 2.726 -6.308 4.180 1.00 0.00 C ATOM 289 O LYS A 23 2.358 -7.019 3.250 1.00 0.00 O ATOM 290 CB LYS A 23 5.041 -5.660 4.997 1.00 0.00 C ATOM 291 CG LYS A 23 5.739 -7.022 4.793 1.00 0.00 C ATOM 292 CD LYS A 23 6.644 -7.460 5.966 1.00 0.00 C ATOM 293 CE LYS A 23 7.958 -6.674 6.155 1.00 0.00 C ATOM 294 NZ LYS A 23 7.745 -5.301 6.610 1.00 0.00 N ATOM 0 H LYS A 23 3.738 -3.595 5.145 1.00 0.00 H new ATOM 0 HA LYS A 23 4.275 -5.385 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.792 -4.876 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.666 -5.620 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.978 -7.786 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.340 -6.976 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.067 -7.386 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.893 -8.512 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.586 -7.196 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.503 -6.657 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.435 -5.071 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.867 -4.647 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.782 -5.207 6.990 1.00 0.00 H new ATOM 308 N VAL A 24 2.112 -6.282 5.381 1.00 0.00 N ATOM 309 CA VAL A 24 1.027 -7.117 5.860 1.00 0.00 C ATOM 310 C VAL A 24 -0.250 -6.900 5.105 1.00 0.00 C ATOM 311 O VAL A 24 -0.974 -7.846 4.814 1.00 0.00 O ATOM 312 CB VAL A 24 0.790 -6.906 7.389 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.224 -7.886 8.014 1.00 0.00 C ATOM 314 CG2 VAL A 24 2.110 -6.916 8.188 1.00 0.00 C ATOM 0 H VAL A 24 2.400 -5.611 6.093 1.00 0.00 H new ATOM 0 HA VAL A 24 1.335 -8.148 5.685 1.00 0.00 H new ATOM 0 HB VAL A 24 0.343 -5.914 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.330 -7.671 9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.190 -7.772 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.131 -8.908 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.896 -6.766 9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.611 -7.875 8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.757 -6.115 7.831 1.00 0.00 H new ATOM 324 N PHE A 25 -0.509 -5.626 4.760 1.00 0.00 N ATOM 325 CA PHE A 25 -1.619 -5.084 4.014 1.00 0.00 C ATOM 326 C PHE A 25 -1.684 -5.707 2.656 1.00 0.00 C ATOM 327 O PHE A 25 -2.683 -6.301 2.277 1.00 0.00 O ATOM 328 CB PHE A 25 -1.379 -3.561 3.870 1.00 0.00 C ATOM 329 CG PHE A 25 -2.327 -2.806 2.976 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.715 -2.744 3.192 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.783 -2.231 1.817 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.544 -2.136 2.240 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.608 -1.644 0.863 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.990 -1.600 1.068 1.00 0.00 C ATOM 0 H PHE A 25 0.135 -4.885 5.036 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.557 -5.288 4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.421 -3.115 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.366 -3.410 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.142 -3.165 4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.714 -2.244 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.609 -2.080 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.181 -1.223 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.632 -1.153 0.323 1.00 0.00 H new ATOM 344 N PHE A 26 -0.548 -5.585 1.939 1.00 0.00 N ATOM 345 CA PHE A 26 -0.309 -6.048 0.594 1.00 0.00 C ATOM 346 C PHE A 26 -0.372 -7.554 0.503 1.00 0.00 C ATOM 347 O PHE A 26 -0.973 -8.113 -0.404 1.00 0.00 O ATOM 348 CB PHE A 26 1.048 -5.503 0.072 1.00 0.00 C ATOM 349 CG PHE A 26 1.359 -5.898 -1.351 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.488 -5.600 -2.416 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.532 -6.615 -1.619 1.00 0.00 C ATOM 352 CE1 PHE A 26 0.792 -6.012 -3.720 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.843 -7.015 -2.917 1.00 0.00 C ATOM 354 CZ PHE A 26 1.968 -6.732 -3.969 1.00 0.00 C ATOM 0 H PHE A 26 0.273 -5.124 2.331 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.103 -5.661 -0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.043 -4.415 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.847 -5.862 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.422 -5.050 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.204 -6.861 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.121 -5.775 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.764 -7.546 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.197 -7.067 -4.970 1.00 0.00 H new ATOM 364 N LYS A 27 0.225 -8.233 1.495 1.00 0.00 N ATOM 365 CA LYS A 27 0.365 -9.672 1.602 1.00 0.00 C ATOM 366 C LYS A 27 -0.964 -10.364 1.846 1.00 0.00 C ATOM 367 O LYS A 27 -1.145 -11.516 1.453 1.00 0.00 O ATOM 368 CB LYS A 27 1.497 -10.047 2.591 1.00 0.00 C ATOM 369 CG LYS A 27 1.749 -11.548 2.851 1.00 0.00 C ATOM 370 CD LYS A 27 1.181 -12.057 4.191 1.00 0.00 C ATOM 371 CE LYS A 27 1.935 -11.512 5.419 1.00 0.00 C ATOM 372 NZ LYS A 27 1.385 -12.043 6.665 1.00 0.00 N ATOM 0 H LYS A 27 0.646 -7.750 2.289 1.00 0.00 H new ATOM 0 HA LYS A 27 0.686 -10.064 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.425 -9.609 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.279 -9.572 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.308 -12.126 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.823 -11.735 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.131 -11.774 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.219 -13.146 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.990 -11.774 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.877 -10.424 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.916 -11.656 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.384 -11.771 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.463 -13.080 6.665 1.00 0.00 H new ATOM 386 N ARG A 28 -1.935 -9.643 2.468 1.00 0.00 N ATOM 387 CA ARG A 28 -3.271 -10.125 2.767 1.00 0.00 C ATOM 388 C ARG A 28 -4.233 -9.684 1.683 1.00 0.00 C ATOM 389 O ARG A 28 -5.229 -10.353 1.424 1.00 0.00 O ATOM 390 CB ARG A 28 -3.680 -9.787 4.234 1.00 0.00 C ATOM 391 CG ARG A 28 -4.969 -9.002 4.560 1.00 0.00 C ATOM 392 CD ARG A 28 -4.940 -7.526 4.110 1.00 0.00 C ATOM 393 NE ARG A 28 -5.985 -6.709 4.829 1.00 0.00 N ATOM 394 CZ ARG A 28 -5.850 -6.325 6.139 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.624 -6.218 6.732 1.00 0.00 N ATOM 396 NH2 ARG A 28 -6.970 -6.022 6.861 1.00 0.00 N ATOM 0 H ARG A 28 -1.784 -8.683 2.776 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.301 -11.214 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.744 -10.734 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.852 -9.229 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.814 -9.499 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.142 -9.039 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.953 -7.105 4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.108 -7.469 3.035 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.825 -6.431 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.780 -6.426 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.553 -5.930 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.890 -6.083 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.886 -5.735 7.836 1.00 0.00 H new ATOM 410 N ALA A 29 -3.905 -8.567 0.987 1.00 0.00 N ATOM 411 CA ALA A 29 -4.688 -7.929 -0.062 1.00 0.00 C ATOM 412 C ALA A 29 -4.650 -8.716 -1.347 1.00 0.00 C ATOM 413 O ALA A 29 -5.606 -8.720 -2.121 1.00 0.00 O ATOM 414 CB ALA A 29 -4.207 -6.499 -0.375 1.00 0.00 C ATOM 0 H ALA A 29 -3.032 -8.070 1.165 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.705 -7.892 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.826 -6.071 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.286 -5.884 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.168 -6.528 -0.704 1.00 0.00 H new ATOM 420 N VAL A 30 -3.497 -9.387 -1.579 1.00 0.00 N ATOM 421 CA VAL A 30 -3.152 -10.141 -2.759 1.00 0.00 C ATOM 422 C VAL A 30 -3.649 -11.552 -2.614 1.00 0.00 C ATOM 423 O VAL A 30 -4.475 -12.019 -3.396 1.00 0.00 O ATOM 424 CB VAL A 30 -1.608 -10.109 -2.992 1.00 0.00 C ATOM 425 CG1 VAL A 30 -1.113 -11.042 -4.114 1.00 0.00 C ATOM 426 CG2 VAL A 30 -1.064 -8.684 -3.227 1.00 0.00 C ATOM 0 H VAL A 30 -2.748 -9.403 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.628 -9.691 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.204 -10.490 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.030 -10.956 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.376 -12.072 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.582 -10.758 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.014 -8.727 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.541 -8.253 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.280 -8.064 -2.357 1.00 0.00 H new ATOM 436 N GLU A 31 -3.112 -12.258 -1.596 1.00 0.00 N ATOM 437 CA GLU A 31 -3.394 -13.649 -1.306 1.00 0.00 C ATOM 438 C GLU A 31 -4.419 -13.697 -0.211 1.00 0.00 C ATOM 439 O GLU A 31 -4.215 -14.262 0.863 1.00 0.00 O ATOM 440 CB GLU A 31 -2.137 -14.472 -0.944 1.00 0.00 C ATOM 441 CG GLU A 31 -1.149 -14.586 -2.127 1.00 0.00 C ATOM 442 CD GLU A 31 0.040 -15.490 -1.786 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.801 -15.148 -0.841 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.206 -16.532 -2.475 1.00 0.00 O ATOM 0 H GLU A 31 -2.449 -11.845 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.779 -14.118 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.633 -14.007 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.438 -15.471 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.669 -14.982 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.787 -13.594 -2.396 1.00 0.00 H new ATOM 451 N GLY A 32 -5.582 -13.094 -0.524 1.00 0.00 N ATOM 452 CA GLY A 32 -6.722 -13.064 0.353 1.00 0.00 C ATOM 453 C GLY A 32 -7.872 -12.524 -0.429 1.00 0.00 C ATOM 454 O GLY A 32 -8.973 -13.067 -0.356 1.00 0.00 O ATOM 0 H GLY A 32 -5.737 -12.613 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.946 -14.064 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.521 -12.438 1.222 1.00 0.00 H new ATOM 458 N GLN A 33 -7.630 -11.415 -1.184 1.00 0.00 N ATOM 459 CA GLN A 33 -8.554 -10.693 -2.036 1.00 0.00 C ATOM 460 C GLN A 33 -9.534 -9.900 -1.211 1.00 0.00 C ATOM 461 O GLN A 33 -10.440 -10.451 -0.585 1.00 0.00 O ATOM 462 CB GLN A 33 -9.262 -11.543 -3.117 1.00 0.00 C ATOM 463 CG GLN A 33 -8.319 -12.160 -4.177 1.00 0.00 C ATOM 464 CD GLN A 33 -7.812 -11.104 -5.176 1.00 0.00 C ATOM 465 OE1 GLN A 33 -8.442 -10.880 -6.217 1.00 0.00 O ATOM 466 NE2 GLN A 33 -6.659 -10.449 -4.842 1.00 0.00 N ATOM 0 H GLN A 33 -6.704 -10.988 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.934 -10.006 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.809 -12.347 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.998 -10.920 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.469 -12.627 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.845 -12.948 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.179 -10.673 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.279 -9.736 -5.465 1.00 0.00 H new ATOM 475 N HIS A 34 -9.346 -8.560 -1.210 1.00 0.00 N ATOM 476 CA HIS A 34 -10.133 -7.617 -0.454 1.00 0.00 C ATOM 477 C HIS A 34 -10.890 -6.761 -1.424 1.00 0.00 C ATOM 478 O HIS A 34 -10.603 -6.747 -2.621 1.00 0.00 O ATOM 479 CB HIS A 34 -9.242 -6.728 0.431 1.00 0.00 C ATOM 480 CG HIS A 34 -8.791 -7.469 1.657 1.00 0.00 C ATOM 481 ND1 HIS A 34 -9.167 -7.045 2.921 1.00 0.00 N ATOM 482 CD2 HIS A 34 -8.112 -8.643 1.731 1.00 0.00 C ATOM 483 CE1 HIS A 34 -8.709 -7.978 3.733 1.00 0.00 C ATOM 484 NE2 HIS A 34 -8.068 -8.970 3.065 1.00 0.00 N ATOM 0 H HIS A 34 -8.613 -8.113 -1.760 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.814 -8.161 0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.373 -6.397 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.791 -5.833 0.724 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.683 -6.200 3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.692 -9.205 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.830 -7.955 4.806 1.00 0.00 H new ATOM 492 N ASN A 35 -11.891 -6.019 -0.888 1.00 0.00 N ATOM 493 CA ASN A 35 -12.742 -5.120 -1.624 1.00 0.00 C ATOM 494 C ASN A 35 -12.475 -3.769 -1.008 1.00 0.00 C ATOM 495 O ASN A 35 -12.799 -3.524 0.153 1.00 0.00 O ATOM 496 CB ASN A 35 -14.242 -5.519 -1.520 1.00 0.00 C ATOM 497 CG ASN A 35 -15.136 -4.756 -2.521 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.058 -4.996 -3.732 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.986 -3.825 -1.991 1.00 0.00 N ATOM 0 H ASN A 35 -12.116 -6.049 0.106 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.529 -5.136 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.341 -6.590 -1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.594 -5.328 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.598 -3.286 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.008 -3.669 -0.983 1.00 0.00 H new ATOM 506 N TYR A 36 -11.862 -2.872 -1.815 1.00 0.00 N ATOM 507 CA TYR A 36 -11.541 -1.505 -1.476 1.00 0.00 C ATOM 508 C TYR A 36 -12.191 -0.633 -2.521 1.00 0.00 C ATOM 509 O TYR A 36 -12.436 -1.072 -3.644 1.00 0.00 O ATOM 510 CB TYR A 36 -10.030 -1.197 -1.304 1.00 0.00 C ATOM 511 CG TYR A 36 -9.213 -2.277 -0.624 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.399 -2.523 0.750 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.152 -2.931 -1.284 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.534 -3.373 1.452 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.288 -3.781 -0.585 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.470 -3.995 0.787 1.00 0.00 C ATOM 517 OH TYR A 36 -6.591 -4.845 1.497 1.00 0.00 O ATOM 0 H TYR A 36 -11.572 -3.114 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.932 -1.298 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.602 -1.009 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.929 -0.275 -0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.219 -2.050 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.005 -2.774 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.688 -3.549 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.479 -4.273 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.846 -4.319 1.856 1.00 0.00 H new ATOM 527 N LEU A 37 -12.486 0.641 -2.145 1.00 0.00 N ATOM 528 CA LEU A 37 -13.226 1.609 -2.932 1.00 0.00 C ATOM 529 C LEU A 37 -12.406 2.557 -3.790 1.00 0.00 C ATOM 530 O LEU A 37 -12.194 3.708 -3.429 1.00 0.00 O ATOM 531 CB LEU A 37 -14.246 2.395 -2.058 1.00 0.00 C ATOM 532 CG LEU A 37 -13.754 3.371 -0.945 1.00 0.00 C ATOM 533 CD1 LEU A 37 -14.956 3.928 -0.157 1.00 0.00 C ATOM 534 CD2 LEU A 37 -12.687 2.801 0.012 1.00 0.00 C ATOM 0 H LEU A 37 -12.192 1.016 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.756 0.989 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.873 2.973 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.891 1.659 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.243 4.174 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.600 4.608 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.618 4.465 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.501 3.105 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.415 3.559 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.088 1.927 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.803 2.514 -0.558 1.00 0.00 H new ATOM 546 N CYS A 38 -11.980 2.070 -4.981 1.00 0.00 N ATOM 547 CA CYS A 38 -11.305 2.748 -6.081 1.00 0.00 C ATOM 548 C CYS A 38 -10.875 1.574 -6.914 1.00 0.00 C ATOM 549 O CYS A 38 -9.754 1.077 -6.809 1.00 0.00 O ATOM 550 CB CYS A 38 -10.068 3.672 -5.855 1.00 0.00 C ATOM 551 SG CYS A 38 -10.452 5.401 -5.399 1.00 0.00 S ATOM 0 H CYS A 38 -12.123 1.085 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.002 3.489 -6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.449 3.236 -5.071 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.470 3.679 -6.766 1.00 0.00 H new ATOM 556 N ALA A 39 -11.809 1.121 -7.774 1.00 0.00 N ATOM 557 CA ALA A 39 -11.672 0.022 -8.690 1.00 0.00 C ATOM 558 C ALA A 39 -11.902 0.540 -10.080 1.00 0.00 C ATOM 559 O ALA A 39 -11.551 -0.114 -11.062 1.00 0.00 O ATOM 560 CB ALA A 39 -12.678 -1.103 -8.402 1.00 0.00 C ATOM 0 H ALA A 39 -12.730 1.556 -7.834 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.672 -0.396 -8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.536 -1.911 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.520 -1.483 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.693 -0.715 -8.489 1.00 0.00 H new ATOM 566 N GLY A 40 -12.499 1.748 -10.174 1.00 0.00 N ATOM 567 CA GLY A 40 -12.799 2.388 -11.428 1.00 0.00 C ATOM 568 C GLY A 40 -12.846 3.874 -11.254 1.00 0.00 C ATOM 569 O GLY A 40 -13.541 4.549 -12.013 1.00 0.00 O ATOM 0 H GLY A 40 -12.780 2.294 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.043 2.125 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.756 2.029 -11.808 1.00 0.00 H new ATOM 573 N ARG A 41 -12.087 4.433 -10.271 1.00 0.00 N ATOM 574 CA ARG A 41 -12.002 5.851 -10.039 1.00 0.00 C ATOM 575 C ARG A 41 -10.531 6.118 -10.129 1.00 0.00 C ATOM 576 O ARG A 41 -10.007 6.457 -11.189 1.00 0.00 O ATOM 577 CB ARG A 41 -12.611 6.325 -8.695 1.00 0.00 C ATOM 578 CG ARG A 41 -14.091 5.949 -8.517 1.00 0.00 C ATOM 579 CD ARG A 41 -14.729 6.595 -7.271 1.00 0.00 C ATOM 580 NE ARG A 41 -16.069 5.963 -6.971 1.00 0.00 N ATOM 581 CZ ARG A 41 -17.190 6.177 -7.733 1.00 0.00 C ATOM 582 NH1 ARG A 41 -17.312 7.258 -8.557 1.00 0.00 N ATOM 583 NH2 ARG A 41 -18.219 5.280 -7.652 1.00 0.00 N ATOM 0 H ARG A 41 -11.522 3.881 -9.626 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.595 6.412 -10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.036 5.896 -7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.510 7.408 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.647 6.254 -9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.179 4.865 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.066 6.478 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.854 7.666 -7.433 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.144 5.347 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.555 7.939 -8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.160 7.385 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.144 4.472 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.062 5.419 -8.209 1.00 0.00 H new ATOM 597 N ASN A 42 -9.851 5.946 -8.970 1.00 0.00 N ATOM 598 CA ASN A 42 -8.442 6.118 -8.674 1.00 0.00 C ATOM 599 C ASN A 42 -8.215 7.616 -8.704 1.00 0.00 C ATOM 600 O ASN A 42 -7.594 8.153 -9.622 1.00 0.00 O ATOM 601 CB ASN A 42 -7.471 5.270 -9.558 1.00 0.00 C ATOM 602 CG ASN A 42 -5.989 5.328 -9.117 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.655 5.840 -8.042 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.092 4.755 -9.977 1.00 0.00 N ATOM 0 H ASN A 42 -10.353 5.648 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.193 5.712 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.801 4.231 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.544 5.614 -10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.100 4.738 -9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.416 4.345 -10.853 1.00 0.00 H new ATOM 611 N ASP A 43 -8.785 8.303 -7.687 1.00 0.00 N ATOM 612 CA ASP A 43 -8.697 9.748 -7.536 1.00 0.00 C ATOM 613 C ASP A 43 -7.768 10.163 -6.438 1.00 0.00 C ATOM 614 O ASP A 43 -6.835 10.926 -6.684 1.00 0.00 O ATOM 615 CB ASP A 43 -10.056 10.474 -7.235 1.00 0.00 C ATOM 616 CG ASP A 43 -11.047 9.774 -6.278 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.513 8.648 -6.591 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.358 10.387 -5.220 1.00 0.00 O ATOM 0 H ASP A 43 -9.322 7.851 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.332 10.050 -8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.827 11.456 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.566 10.639 -8.184 1.00 0.00 H new ATOM 623 N CYS A 44 -8.032 9.696 -5.196 1.00 0.00 N ATOM 624 CA CYS A 44 -7.418 10.106 -3.974 1.00 0.00 C ATOM 625 C CYS A 44 -5.914 9.889 -3.914 1.00 0.00 C ATOM 626 O CYS A 44 -5.372 9.000 -4.570 1.00 0.00 O ATOM 627 CB CYS A 44 -8.104 9.439 -2.725 1.00 0.00 C ATOM 628 SG CYS A 44 -9.516 8.302 -3.040 1.00 0.00 S ATOM 0 H CYS A 44 -8.734 8.972 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.573 11.185 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.341 8.885 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.453 10.235 -2.067 1.00 0.00 H new ATOM 633 N ILE A 45 -5.216 10.726 -3.103 1.00 0.00 N ATOM 634 CA ILE A 45 -3.785 10.642 -2.874 1.00 0.00 C ATOM 635 C ILE A 45 -3.684 9.935 -1.556 1.00 0.00 C ATOM 636 O ILE A 45 -4.408 10.254 -0.615 1.00 0.00 O ATOM 637 CB ILE A 45 -3.045 12.015 -2.826 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.266 12.829 -4.127 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.534 11.909 -2.484 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.760 12.159 -5.416 1.00 0.00 C ATOM 0 H ILE A 45 -5.659 11.487 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.296 10.129 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.500 12.556 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.332 13.028 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.771 13.794 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.093 12.906 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.414 11.446 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.032 11.301 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.962 12.809 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.687 11.986 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.272 11.207 -5.556 1.00 0.00 H new ATOM 652 N ILE A 46 -2.771 8.941 -1.497 1.00 0.00 N ATOM 653 CA ILE A 46 -2.525 8.112 -0.348 1.00 0.00 C ATOM 654 C ILE A 46 -1.132 8.460 0.069 1.00 0.00 C ATOM 655 O ILE A 46 -0.161 8.239 -0.653 1.00 0.00 O ATOM 656 CB ILE A 46 -2.757 6.601 -0.675 1.00 0.00 C ATOM 657 CG1 ILE A 46 -4.150 6.101 -0.236 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.714 5.585 -0.171 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.322 7.027 -0.533 1.00 0.00 C ATOM 0 H ILE A 46 -2.175 8.704 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.216 8.290 0.476 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.655 6.623 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.339 5.143 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.124 5.915 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.009 4.580 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.740 5.821 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.654 5.634 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.246 6.569 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.171 7.979 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.389 7.196 -1.608 1.00 0.00 H new ATOM 671 N ASP A 47 -1.045 9.026 1.287 1.00 0.00 N ATOM 672 CA ASP A 47 0.187 9.368 1.931 1.00 0.00 C ATOM 673 C ASP A 47 -0.104 9.072 3.377 1.00 0.00 C ATOM 674 O ASP A 47 -1.121 8.459 3.684 1.00 0.00 O ATOM 675 CB ASP A 47 0.765 10.778 1.627 1.00 0.00 C ATOM 676 CG ASP A 47 -0.109 11.967 2.058 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.228 12.123 1.503 1.00 0.00 O ATOM 678 OD2 ASP A 47 0.342 12.732 2.954 1.00 0.00 O ATOM 0 H ASP A 47 -1.867 9.255 1.846 1.00 0.00 H new ATOM 0 HA ASP A 47 1.025 8.789 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.734 10.866 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.944 10.853 0.554 1.00 0.00 H new ATOM 683 N LYS A 48 0.785 9.514 4.299 1.00 0.00 N ATOM 684 CA LYS A 48 0.775 9.213 5.722 1.00 0.00 C ATOM 685 C LYS A 48 -0.365 9.808 6.516 1.00 0.00 C ATOM 686 O LYS A 48 -0.533 9.506 7.697 1.00 0.00 O ATOM 687 CB LYS A 48 2.118 9.586 6.387 1.00 0.00 C ATOM 688 CG LYS A 48 2.640 11.007 6.109 1.00 0.00 C ATOM 689 CD LYS A 48 3.931 11.382 6.869 1.00 0.00 C ATOM 690 CE LYS A 48 3.838 11.366 8.408 1.00 0.00 C ATOM 691 NZ LYS A 48 2.846 12.314 8.916 1.00 0.00 N ATOM 0 H LYS A 48 1.563 10.121 4.040 1.00 0.00 H new ATOM 0 HA LYS A 48 0.619 8.135 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.012 9.464 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.874 8.873 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.822 11.109 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.861 11.723 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.720 10.695 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.238 12.379 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.582 10.361 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.814 11.604 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.820 12.266 9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.103 13.277 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.909 12.073 8.535 1.00 0.00 H new ATOM 705 N ILE A 49 -1.171 10.661 5.855 1.00 0.00 N ATOM 706 CA ILE A 49 -2.286 11.373 6.421 1.00 0.00 C ATOM 707 C ILE A 49 -3.560 10.867 5.802 1.00 0.00 C ATOM 708 O ILE A 49 -4.490 10.471 6.501 1.00 0.00 O ATOM 709 CB ILE A 49 -2.123 12.911 6.201 1.00 0.00 C ATOM 710 CG1 ILE A 49 -0.869 13.483 6.913 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.388 13.737 6.520 1.00 0.00 C ATOM 712 CD1 ILE A 49 -0.855 13.345 8.444 1.00 0.00 C ATOM 0 H ILE A 49 -1.039 10.868 4.865 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.323 11.199 7.496 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.970 13.019 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.014 12.984 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.780 14.540 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.188 14.793 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.207 13.409 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.663 13.592 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.064 13.776 8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.713 13.870 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.907 12.290 8.715 1.00 0.00 H new ATOM 724 N ARG A 50 -3.609 10.913 4.456 1.00 0.00 N ATOM 725 CA ARG A 50 -4.766 10.643 3.621 1.00 0.00 C ATOM 726 C ARG A 50 -5.043 9.177 3.383 1.00 0.00 C ATOM 727 O ARG A 50 -6.003 8.825 2.696 1.00 0.00 O ATOM 728 CB ARG A 50 -4.622 11.359 2.262 1.00 0.00 C ATOM 729 CG ARG A 50 -4.586 12.895 2.389 1.00 0.00 C ATOM 730 CD ARG A 50 -4.451 13.613 1.036 1.00 0.00 C ATOM 731 NE ARG A 50 -4.439 15.099 1.291 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.529 16.017 0.277 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.047 15.699 -0.946 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.101 17.295 0.505 1.00 0.00 N ATOM 0 H ARG A 50 -2.787 11.155 3.903 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.618 11.029 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.709 11.019 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.453 11.073 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.497 13.233 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.751 13.180 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.534 13.306 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.280 13.346 0.380 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.361 15.433 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.382 14.753 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.099 16.408 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.723 17.551 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.160 17.993 -0.237 1.00 0.00 H new ATOM 748 N ARG A 51 -4.237 8.291 4.013 1.00 0.00 N ATOM 749 CA ARG A 51 -4.320 6.840 3.901 1.00 0.00 C ATOM 750 C ARG A 51 -5.539 6.220 4.563 1.00 0.00 C ATOM 751 O ARG A 51 -5.875 5.070 4.284 1.00 0.00 O ATOM 752 CB ARG A 51 -3.034 6.089 4.329 1.00 0.00 C ATOM 753 CG ARG A 51 -2.375 6.445 5.680 1.00 0.00 C ATOM 754 CD ARG A 51 -3.216 6.153 6.932 1.00 0.00 C ATOM 755 NE ARG A 51 -2.375 6.436 8.151 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.914 6.476 9.411 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.246 6.697 9.622 1.00 0.00 N ATOM 758 NH2 ARG A 51 -2.092 6.302 10.489 1.00 0.00 N ATOM 0 H ARG A 51 -3.486 8.592 4.634 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.435 6.700 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.265 5.024 4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.288 6.241 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.436 5.897 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.125 7.506 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.113 6.772 6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.546 5.114 6.933 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.375 6.603 8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.871 6.838 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.615 6.721 10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.094 6.145 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.477 6.329 11.433 1.00 0.00 H new ATOM 772 N LYS A 52 -6.228 6.982 5.454 1.00 0.00 N ATOM 773 CA LYS A 52 -7.374 6.560 6.228 1.00 0.00 C ATOM 774 C LYS A 52 -8.670 6.688 5.467 1.00 0.00 C ATOM 775 O LYS A 52 -9.699 6.154 5.879 1.00 0.00 O ATOM 776 CB LYS A 52 -7.512 7.371 7.544 1.00 0.00 C ATOM 777 CG LYS A 52 -7.571 8.909 7.374 1.00 0.00 C ATOM 778 CD LYS A 52 -8.153 9.671 8.581 1.00 0.00 C ATOM 779 CE LYS A 52 -7.274 9.644 9.840 1.00 0.00 C ATOM 780 NZ LYS A 52 -7.892 10.413 10.920 1.00 0.00 N ATOM 0 H LYS A 52 -5.968 7.950 5.644 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.192 5.509 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.416 7.045 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.670 7.126 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.564 9.278 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.170 9.140 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.319 10.709 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.127 9.248 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.122 8.614 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.290 10.055 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.282 10.382 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.014 11.400 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.820 10.004 11.150 1.00 0.00 H new ATOM 794 N ASN A 53 -8.630 7.424 4.333 1.00 0.00 N ATOM 795 CA ASN A 53 -9.762 7.758 3.504 1.00 0.00 C ATOM 796 C ASN A 53 -10.073 6.658 2.533 1.00 0.00 C ATOM 797 O ASN A 53 -11.236 6.454 2.187 1.00 0.00 O ATOM 798 CB ASN A 53 -9.563 9.057 2.665 1.00 0.00 C ATOM 799 CG ASN A 53 -9.250 10.260 3.576 1.00 0.00 C ATOM 800 OD1 ASN A 53 -9.829 10.403 4.661 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.318 11.142 3.108 1.00 0.00 N ATOM 0 H ASN A 53 -7.757 7.809 3.973 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.578 7.911 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.750 8.914 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.463 9.260 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.071 11.964 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.869 10.979 2.207 1.00 0.00 H new ATOM 808 N CYS A 54 -9.027 5.936 2.061 1.00 0.00 N ATOM 809 CA CYS A 54 -9.189 4.955 1.019 1.00 0.00 C ATOM 810 C CYS A 54 -8.019 3.984 1.109 1.00 0.00 C ATOM 811 O CYS A 54 -6.884 4.401 0.886 1.00 0.00 O ATOM 812 CB CYS A 54 -9.242 5.704 -0.342 1.00 0.00 C ATOM 813 SG CYS A 54 -9.286 4.741 -1.867 1.00 0.00 S ATOM 0 H CYS A 54 -8.070 6.033 2.402 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.111 4.383 1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.124 6.345 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.373 6.360 -0.391 1.00 0.00 H new ATOM 818 N PRO A 55 -8.269 2.672 1.363 1.00 0.00 N ATOM 819 CA PRO A 55 -7.258 1.619 1.253 1.00 0.00 C ATOM 820 C PRO A 55 -7.250 0.970 -0.130 1.00 0.00 C ATOM 821 O PRO A 55 -6.757 -0.149 -0.248 1.00 0.00 O ATOM 822 CB PRO A 55 -7.645 0.597 2.332 1.00 0.00 C ATOM 823 CG PRO A 55 -8.711 1.301 3.177 1.00 0.00 C ATOM 824 CD PRO A 55 -9.397 2.218 2.168 1.00 0.00 C ATOM 0 HA PRO A 55 -6.253 2.017 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.035 -0.319 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.783 0.316 2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.411 0.591 3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.268 1.864 3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.138 1.687 1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.913 3.047 2.653 1.00 0.00 H new ATOM 832 N ALA A 56 -7.765 1.606 -1.220 1.00 0.00 N ATOM 833 CA ALA A 56 -7.835 1.070 -2.564 1.00 0.00 C ATOM 834 C ALA A 56 -6.705 1.642 -3.359 1.00 0.00 C ATOM 835 O ALA A 56 -6.009 0.919 -4.066 1.00 0.00 O ATOM 836 CB ALA A 56 -9.153 1.399 -3.260 1.00 0.00 C ATOM 0 H ALA A 56 -8.154 2.547 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.768 -0.016 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.151 0.973 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.981 0.978 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.270 2.481 -3.325 1.00 0.00 H new ATOM 842 N CYS A 57 -6.469 2.970 -3.189 1.00 0.00 N ATOM 843 CA CYS A 57 -5.378 3.744 -3.725 1.00 0.00 C ATOM 844 C CYS A 57 -4.045 3.274 -3.221 1.00 0.00 C ATOM 845 O CYS A 57 -3.070 3.280 -3.957 1.00 0.00 O ATOM 846 CB CYS A 57 -5.539 5.246 -3.459 1.00 0.00 C ATOM 847 SG CYS A 57 -6.846 6.013 -4.474 1.00 0.00 S ATOM 0 H CYS A 57 -7.097 3.546 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.410 3.586 -4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.768 5.400 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.592 5.748 -3.656 1.00 0.00 H new ATOM 852 N ARG A 58 -4.022 2.787 -1.964 1.00 0.00 N ATOM 853 CA ARG A 58 -2.914 2.156 -1.277 1.00 0.00 C ATOM 854 C ARG A 58 -2.470 0.889 -1.967 1.00 0.00 C ATOM 855 O ARG A 58 -1.277 0.607 -2.034 1.00 0.00 O ATOM 856 CB ARG A 58 -3.269 1.695 0.158 1.00 0.00 C ATOM 857 CG ARG A 58 -3.485 2.836 1.156 1.00 0.00 C ATOM 858 CD ARG A 58 -2.255 3.209 2.010 1.00 0.00 C ATOM 859 NE ARG A 58 -1.845 2.092 2.943 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.570 1.696 4.038 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.522 2.489 4.607 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.324 0.463 4.576 1.00 0.00 N ATOM 0 H ARG A 58 -4.850 2.836 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.144 2.927 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.174 1.088 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.470 1.052 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.807 3.721 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.301 2.562 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.421 3.456 1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.477 4.103 2.593 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.973 1.601 2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.716 3.412 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.041 2.159 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.614 -0.141 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.851 0.148 5.390 1.00 0.00 H new ATOM 876 N TYR A 59 -3.453 0.095 -2.485 1.00 0.00 N ATOM 877 CA TYR A 59 -3.243 -1.189 -3.135 1.00 0.00 C ATOM 878 C TYR A 59 -2.747 -0.917 -4.545 1.00 0.00 C ATOM 879 O TYR A 59 -1.942 -1.666 -5.094 1.00 0.00 O ATOM 880 CB TYR A 59 -4.539 -2.047 -3.105 1.00 0.00 C ATOM 881 CG TYR A 59 -4.447 -3.480 -3.622 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.258 -4.243 -3.607 1.00 0.00 C ATOM 883 CD2 TYR A 59 -5.630 -4.113 -4.053 1.00 0.00 C ATOM 884 CE1 TYR A 59 -3.248 -5.578 -4.036 1.00 0.00 C ATOM 885 CE2 TYR A 59 -5.628 -5.452 -4.465 1.00 0.00 C ATOM 886 CZ TYR A 59 -4.434 -6.182 -4.470 1.00 0.00 C ATOM 887 OH TYR A 59 -4.429 -7.526 -4.905 1.00 0.00 O ATOM 0 H TYR A 59 -4.437 0.360 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.493 -1.776 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.895 -2.083 -2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.300 -1.527 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.341 -3.790 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.555 -3.556 -4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.326 -6.140 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.549 -5.921 -4.779 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.335 -7.787 -5.170 1.00 0.00 H new ATOM 897 N ARG A 60 -3.160 0.245 -5.113 1.00 0.00 N ATOM 898 CA ARG A 60 -2.766 0.744 -6.412 1.00 0.00 C ATOM 899 C ARG A 60 -1.352 1.278 -6.386 1.00 0.00 C ATOM 900 O ARG A 60 -0.583 1.061 -7.322 1.00 0.00 O ATOM 901 CB ARG A 60 -3.736 1.815 -6.967 1.00 0.00 C ATOM 902 CG ARG A 60 -5.091 1.242 -7.438 1.00 0.00 C ATOM 903 CD ARG A 60 -5.265 1.009 -8.961 1.00 0.00 C ATOM 904 NE ARG A 60 -4.338 -0.051 -9.520 1.00 0.00 N ATOM 905 CZ ARG A 60 -3.019 0.170 -9.829 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.544 1.416 -10.117 1.00 0.00 N ATOM 907 NH2 ARG A 60 -2.162 -0.894 -9.879 1.00 0.00 N ATOM 0 H ARG A 60 -3.807 0.873 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.810 -0.108 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.917 2.563 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.258 2.327 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.252 0.292 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.879 1.919 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.297 0.720 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.089 1.948 -9.487 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.717 -0.985 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.175 2.217 -10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.558 1.546 -10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.506 -1.835 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.179 -0.747 -10.107 1.00 0.00 H new ATOM 921 N LYS A 61 -0.991 1.972 -5.274 1.00 0.00 N ATOM 922 CA LYS A 61 0.238 2.705 -5.082 1.00 0.00 C ATOM 923 C LYS A 61 1.442 1.837 -4.880 1.00 0.00 C ATOM 924 O LYS A 61 2.499 2.099 -5.447 1.00 0.00 O ATOM 925 CB LYS A 61 0.102 3.819 -4.023 1.00 0.00 C ATOM 926 CG LYS A 61 1.185 4.905 -4.140 1.00 0.00 C ATOM 927 CD LYS A 61 0.744 6.300 -3.658 1.00 0.00 C ATOM 928 CE LYS A 61 1.862 7.349 -3.771 1.00 0.00 C ATOM 929 NZ LYS A 61 1.384 8.676 -3.394 1.00 0.00 N ATOM 0 H LYS A 61 -1.600 2.023 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 61 0.425 3.208 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.880 4.283 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.150 3.374 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.057 4.594 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.499 4.977 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.115 6.627 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.417 6.234 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.696 7.065 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.239 7.373 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.194 9.318 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.752 9.041 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.865 8.615 -2.495 1.00 0.00 H new ATOM 943 N CYS A 62 1.275 0.742 -4.104 1.00 0.00 N ATOM 944 CA CYS A 62 2.290 -0.253 -3.812 1.00 0.00 C ATOM 945 C CYS A 62 2.742 -0.992 -5.053 1.00 0.00 C ATOM 946 O CYS A 62 3.932 -1.243 -5.229 1.00 0.00 O ATOM 947 CB CYS A 62 1.903 -1.251 -2.688 1.00 0.00 C ATOM 948 SG CYS A 62 0.326 -2.132 -2.875 1.00 0.00 S ATOM 0 H CYS A 62 0.384 0.534 -3.652 1.00 0.00 H new ATOM 0 HA CYS A 62 3.131 0.324 -3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.698 -1.993 -2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.876 -0.705 -1.745 1.00 0.00 H new ATOM 0 HG CYS A 62 0.514 -3.404 -2.684 1.00 0.00 H new ATOM 954 N LEU A 63 1.781 -1.283 -5.968 1.00 0.00 N ATOM 955 CA LEU A 63 1.985 -1.958 -7.234 1.00 0.00 C ATOM 956 C LEU A 63 2.774 -1.091 -8.185 1.00 0.00 C ATOM 957 O LEU A 63 3.635 -1.590 -8.909 1.00 0.00 O ATOM 958 CB LEU A 63 0.660 -2.404 -7.895 1.00 0.00 C ATOM 959 CG LEU A 63 -0.054 -3.564 -7.161 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.496 -3.751 -7.671 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.745 -4.880 -7.246 1.00 0.00 C ATOM 0 H LEU A 63 0.804 -1.033 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 63 2.555 -2.860 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.015 -1.549 -7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.863 -2.709 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.108 -3.288 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.968 -4.574 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.063 -2.835 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.478 -3.976 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.207 -5.667 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.869 -5.164 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.725 -4.741 -6.790 1.00 0.00 H new ATOM 973 N GLN A 64 2.526 0.251 -8.138 1.00 0.00 N ATOM 974 CA GLN A 64 3.178 1.275 -8.935 1.00 0.00 C ATOM 975 C GLN A 64 4.638 1.410 -8.561 1.00 0.00 C ATOM 976 O GLN A 64 5.486 1.724 -9.396 1.00 0.00 O ATOM 977 CB GLN A 64 2.393 2.624 -8.957 1.00 0.00 C ATOM 978 CG GLN A 64 3.017 3.871 -8.282 1.00 0.00 C ATOM 979 CD GLN A 64 2.077 5.082 -8.397 1.00 0.00 C ATOM 980 OE1 GLN A 64 0.920 5.025 -7.964 1.00 0.00 O ATOM 981 NE2 GLN A 64 2.601 6.196 -8.994 1.00 0.00 N ATOM 0 H GLN A 64 1.828 0.642 -7.505 1.00 0.00 H new ATOM 0 HA GLN A 64 3.161 0.945 -9.974 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.203 2.876 -10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.424 2.448 -8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.218 3.659 -7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.974 4.102 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.563 6.188 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.030 7.034 -9.099 1.00 0.00 H new ATOM 990 N ALA A 65 4.927 1.125 -7.265 1.00 0.00 N ATOM 991 CA ALA A 65 6.207 1.203 -6.604 1.00 0.00 C ATOM 992 C ALA A 65 7.147 0.148 -7.118 1.00 0.00 C ATOM 993 O ALA A 65 8.344 0.382 -7.278 1.00 0.00 O ATOM 994 CB ALA A 65 6.067 1.126 -5.077 1.00 0.00 C ATOM 0 H ALA A 65 4.196 0.812 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 65 6.634 2.178 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.053 1.188 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.450 1.953 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.598 0.182 -4.802 1.00 0.00 H new ATOM 1000 N GLY A 66 6.570 -1.046 -7.385 1.00 0.00 N ATOM 1001 CA GLY A 66 7.255 -2.184 -7.948 1.00 0.00 C ATOM 1002 C GLY A 66 7.088 -3.382 -7.073 1.00 0.00 C ATOM 1003 O GLY A 66 7.799 -4.370 -7.263 1.00 0.00 O ATOM 0 H GLY A 66 5.583 -1.228 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.863 -2.396 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.315 -1.957 -8.065 1.00 0.00 H new ATOM 1007 N MET A 67 6.121 -3.351 -6.107 1.00 0.00 N ATOM 1008 CA MET A 67 5.900 -4.424 -5.147 1.00 0.00 C ATOM 1009 C MET A 67 5.336 -5.649 -5.824 1.00 0.00 C ATOM 1010 O MET A 67 4.612 -5.550 -6.816 1.00 0.00 O ATOM 1011 CB MET A 67 5.038 -4.060 -3.919 1.00 0.00 C ATOM 1012 CG MET A 67 5.801 -3.126 -2.962 1.00 0.00 C ATOM 1013 SD MET A 67 4.886 -2.734 -1.447 1.00 0.00 S ATOM 1014 CE MET A 67 4.942 -4.277 -0.499 1.00 0.00 C ATOM 0 H MET A 67 5.481 -2.566 -5.991 1.00 0.00 H new ATOM 0 HA MET A 67 6.894 -4.629 -4.749 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.118 -3.576 -4.247 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.749 -4.969 -3.391 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.750 -3.591 -2.693 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.037 -2.199 -3.484 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.168 -4.261 0.269 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.772 -5.121 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.919 -4.379 -0.027 1.00 0.00 H new ATOM 1024 N ASN A 68 5.697 -6.837 -5.292 1.00 0.00 N ATOM 1025 CA ASN A 68 5.293 -8.105 -5.842 1.00 0.00 C ATOM 1026 C ASN A 68 5.566 -9.036 -4.716 1.00 0.00 C ATOM 1027 O ASN A 68 6.683 -9.157 -4.229 1.00 0.00 O ATOM 1028 CB ASN A 68 6.069 -8.558 -7.123 1.00 0.00 C ATOM 1029 CG ASN A 68 5.322 -9.515 -8.087 1.00 0.00 C ATOM 1030 OD1 ASN A 68 5.820 -9.741 -9.198 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.154 -10.085 -7.667 1.00 0.00 N ATOM 0 H ASN A 68 6.283 -6.920 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 68 4.260 -8.067 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.354 -7.666 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.992 -9.045 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.652 -10.729 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.784 -9.867 -6.742 1.00 0.00 H new ATOM 1038 N LEU A 69 4.513 -9.729 -4.262 1.00 0.00 N ATOM 1039 CA LEU A 69 4.523 -10.634 -3.139 1.00 0.00 C ATOM 1040 C LEU A 69 4.984 -11.950 -3.715 1.00 0.00 C ATOM 1041 O LEU A 69 4.213 -12.743 -4.253 1.00 0.00 O ATOM 1042 CB LEU A 69 3.159 -10.589 -2.420 1.00 0.00 C ATOM 1043 CG LEU A 69 2.750 -11.781 -1.523 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.492 -11.782 -0.181 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.223 -11.820 -1.362 1.00 0.00 C ATOM 0 H LEU A 69 3.594 -9.660 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 69 5.207 -10.382 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.140 -9.690 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.388 -10.469 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 69 3.054 -12.703 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.170 -12.638 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.565 -11.847 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.269 -10.862 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.945 -12.663 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.882 -10.893 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.757 -11.932 -2.341 1.00 0.00 H new ATOM 1057 N GLU A 70 6.330 -12.097 -3.625 1.00 0.00 N ATOM 1058 CA GLU A 70 7.228 -13.101 -4.145 1.00 0.00 C ATOM 1059 C GLU A 70 7.950 -12.354 -5.235 1.00 0.00 C ATOM 1060 O GLU A 70 7.679 -12.524 -6.424 1.00 0.00 O ATOM 1061 CB GLU A 70 6.676 -14.466 -4.627 1.00 0.00 C ATOM 1062 CG GLU A 70 6.007 -15.299 -3.510 1.00 0.00 C ATOM 1063 CD GLU A 70 5.468 -16.622 -4.062 1.00 0.00 C ATOM 1064 OE1 GLU A 70 6.296 -17.468 -4.496 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.221 -16.805 -4.050 1.00 0.00 O ATOM 0 H GLU A 70 6.864 -11.400 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 70 7.836 -13.479 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.951 -14.294 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.492 -15.045 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.729 -15.498 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.193 -14.728 -3.063 1.00 0.00 H new ATOM 1072 N ALA A 71 8.887 -11.473 -4.803 1.00 0.00 N ATOM 1073 CA ALA A 71 9.681 -10.593 -5.637 1.00 0.00 C ATOM 1074 C ALA A 71 11.125 -11.011 -5.488 1.00 0.00 C ATOM 1075 O ALA A 71 11.471 -12.158 -5.768 1.00 0.00 O ATOM 1076 CB ALA A 71 9.484 -9.097 -5.291 1.00 0.00 C ATOM 0 H ALA A 71 9.105 -11.367 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 71 9.357 -10.688 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.104 -8.487 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.437 -8.827 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.773 -8.922 -4.255 1.00 0.00 H new ATOM 1082 N ARG A 72 11.995 -10.069 -5.047 1.00 0.00 N ATOM 1083 CA ARG A 72 13.420 -10.223 -4.895 1.00 0.00 C ATOM 1084 C ARG A 72 13.727 -9.976 -3.407 1.00 0.00 C ATOM 1085 O ARG A 72 13.385 -8.873 -2.897 1.00 0.00 O ATOM 1086 CB ARG A 72 14.158 -9.207 -5.800 1.00 0.00 C ATOM 1087 CG ARG A 72 15.686 -9.373 -5.911 1.00 0.00 C ATOM 1088 CD ARG A 72 16.315 -8.284 -6.798 1.00 0.00 C ATOM 1089 NE ARG A 72 17.794 -8.537 -6.932 1.00 0.00 N ATOM 1090 CZ ARG A 72 18.571 -7.835 -7.819 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.037 -7.180 -8.891 1.00 0.00 N ATOM 1092 NH2 ARG A 72 19.924 -7.796 -7.627 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.301 -10.894 -2.764 1.00 0.00 O ATOM 0 H ARG A 72 11.679 -9.137 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 72 13.756 -11.216 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.734 -9.271 -6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.949 -8.204 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.129 -9.333 -4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.916 -10.356 -6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.845 -8.284 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.142 -7.300 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 72 18.230 -9.250 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.030 -7.203 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.645 -6.668 -9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.341 -8.284 -6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.517 -7.279 -8.277 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.858 2.236 4.398 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -9.028 6.120 -3.706 1.00 0.00 ZN