USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 370 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 1 GLY N :NH3+ 173:sc= 1.32 (180deg=0.964) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= 0.337 USER MOD Set 1.3: B 27 THR OG1 : rot -77:sc= 0.685 USER MOD Single : A 5 GLN : amide:sc= -0.971 K(o=-0.97,f=0) USER MOD Single : A 9 SER OG : rot 29:sc= 1.02 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= -3.61! K(o=-3.6!,f=0.4) USER MOD Single : A 18 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.039) USER MOD Single : A 21 ASN : amide:sc= 0.445 K(o=0.45,f=-0.077) USER MOD Single : B 1 PHE N :NH3+ 150:sc= 1.59 (180deg=0.767) USER MOD Single : B 3 ASN : amide:sc= 0.0191 K(o=0.019,f=-2.2!) USER MOD Single : B 4 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.5) USER MOD Single : B 5 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.57) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0.302 K(o=0.3,f=-2!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 0:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -167:sc= 2.76 (180deg=2.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.132 26.651 -10.490 1.00 0.00 N ATOM 2 CA GLY A 1 -23.300 26.004 -9.862 1.00 0.00 C ATOM 3 C GLY A 1 -23.701 24.800 -10.677 1.00 0.00 C ATOM 4 O GLY A 1 -24.301 25.030 -11.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.926 27.545 -10.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.308 26.021 -10.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.338 26.844 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.059 25.703 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.130 26.708 -9.799 1.00 0.00 H new ATOM 10 N ILE A 2 -23.353 23.580 -10.243 1.00 0.00 N ATOM 11 CA ILE A 2 -23.517 22.304 -10.987 1.00 0.00 C ATOM 12 C ILE A 2 -24.949 21.714 -10.937 1.00 0.00 C ATOM 13 O ILE A 2 -25.194 20.562 -11.288 1.00 0.00 O ATOM 14 CB ILE A 2 -22.459 21.307 -10.464 1.00 0.00 C ATOM 15 CG1 ILE A 2 -22.203 20.102 -11.394 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.823 20.845 -9.043 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.908 19.343 -11.074 1.00 0.00 C ATOM 0 H ILE A 2 -22.931 23.440 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.360 22.508 -12.046 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.515 21.851 -10.443 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -23.045 19.413 -11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.164 20.452 -12.426 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.070 20.143 -8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.860 21.708 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.797 20.356 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.794 18.510 -11.767 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -20.057 20.017 -11.174 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.952 18.962 -10.054 1.00 0.00 H new ATOM 29 N VAL A 3 -25.906 22.472 -10.402 1.00 0.00 N ATOM 30 CA VAL A 3 -27.281 22.006 -10.184 1.00 0.00 C ATOM 31 C VAL A 3 -28.117 21.992 -11.472 1.00 0.00 C ATOM 32 O VAL A 3 -29.115 21.282 -11.536 1.00 0.00 O ATOM 33 CB VAL A 3 -27.911 22.822 -9.043 1.00 0.00 C ATOM 34 CG1 VAL A 3 -28.251 24.260 -9.454 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.153 22.142 -8.463 1.00 0.00 C ATOM 0 H VAL A 3 -25.750 23.435 -10.104 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.259 20.960 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.145 22.868 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -28.692 24.786 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.342 24.774 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.961 24.244 -10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.563 22.756 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.901 22.022 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.881 21.163 -8.068 1.00 0.00 H new ATOM 45 N GLU A 4 -27.693 22.688 -12.529 1.00 0.00 N ATOM 46 CA GLU A 4 -28.295 22.574 -13.866 1.00 0.00 C ATOM 47 C GLU A 4 -28.000 21.216 -14.532 1.00 0.00 C ATOM 48 O GLU A 4 -28.832 20.725 -15.294 1.00 0.00 O ATOM 49 CB GLU A 4 -27.927 23.781 -14.757 1.00 0.00 C ATOM 50 CG GLU A 4 -26.482 24.311 -14.708 1.00 0.00 C ATOM 51 CD GLU A 4 -25.430 23.201 -14.689 1.00 0.00 C ATOM 52 OE1 GLU A 4 -25.070 22.789 -13.563 1.00 0.00 O ATOM 53 OE2 GLU A 4 -25.058 22.716 -15.775 1.00 0.00 O ATOM 0 H GLU A 4 -26.919 23.351 -12.485 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.377 22.603 -13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -28.147 23.511 -15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -28.592 24.604 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -26.308 24.952 -15.572 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -26.360 24.932 -13.821 1.00 0.00 H new ATOM 60 N GLN A 5 -26.924 20.520 -14.146 1.00 0.00 N ATOM 61 CA GLN A 5 -26.692 19.131 -14.556 1.00 0.00 C ATOM 62 C GLN A 5 -27.838 18.207 -14.127 1.00 0.00 C ATOM 63 O GLN A 5 -28.201 17.294 -14.867 1.00 0.00 O ATOM 64 CB GLN A 5 -25.379 18.584 -13.967 1.00 0.00 C ATOM 65 CG GLN A 5 -24.101 19.291 -14.450 1.00 0.00 C ATOM 66 CD GLN A 5 -23.655 18.943 -15.868 1.00 0.00 C ATOM 67 OE1 GLN A 5 -22.555 19.260 -16.290 1.00 0.00 O ATOM 68 NE2 GLN A 5 -24.426 18.218 -16.651 1.00 0.00 N ATOM 0 H GLN A 5 -26.194 20.901 -13.544 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.631 19.144 -15.644 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.428 18.658 -12.881 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.303 17.524 -14.211 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.258 20.368 -14.391 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.290 19.049 -13.763 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -25.352 17.934 -16.333 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -24.097 17.941 -17.576 1.00 0.00 H new ATOM 77 N CYS A 6 -28.461 18.458 -12.971 1.00 0.00 N ATOM 78 CA CYS A 6 -29.624 17.693 -12.515 1.00 0.00 C ATOM 79 C CYS A 6 -30.901 17.961 -13.330 1.00 0.00 C ATOM 80 O CYS A 6 -31.841 17.173 -13.226 1.00 0.00 O ATOM 81 CB CYS A 6 -29.870 17.977 -11.030 1.00 0.00 C ATOM 82 SG CYS A 6 -28.587 17.313 -9.938 1.00 0.00 S ATOM 0 H CYS A 6 -28.174 19.195 -12.327 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.389 16.640 -12.668 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -29.938 19.055 -10.882 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.833 17.554 -10.743 1.00 0.00 H new ATOM 87 N CYS A 7 -30.941 19.040 -14.115 1.00 0.00 N ATOM 88 CA CYS A 7 -32.023 19.390 -15.039 1.00 0.00 C ATOM 89 C CYS A 7 -31.882 18.731 -16.426 1.00 0.00 C ATOM 90 O CYS A 7 -32.808 18.807 -17.230 1.00 0.00 O ATOM 91 CB CYS A 7 -32.050 20.922 -15.184 1.00 0.00 C ATOM 92 SG CYS A 7 -32.162 21.829 -13.613 1.00 0.00 S ATOM 0 H CYS A 7 -30.185 19.725 -14.124 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.956 19.012 -14.622 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -31.149 21.240 -15.709 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.898 21.200 -15.810 1.00 0.00 H new ATOM 97 N ALA A 8 -30.733 18.115 -16.729 1.00 0.00 N ATOM 98 CA ALA A 8 -30.409 17.602 -18.066 1.00 0.00 C ATOM 99 C ALA A 8 -29.660 16.252 -18.078 1.00 0.00 C ATOM 100 O ALA A 8 -29.303 15.754 -19.147 1.00 0.00 O ATOM 101 CB ALA A 8 -29.629 18.695 -18.813 1.00 0.00 C ATOM 0 H ALA A 8 -29.993 17.957 -16.045 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.347 17.376 -18.572 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.374 18.342 -19.812 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.244 19.592 -18.891 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.715 18.928 -18.266 1.00 0.00 H new ATOM 107 N SER A 9 -29.389 15.640 -16.923 1.00 0.00 N ATOM 108 CA SER A 9 -28.676 14.362 -16.798 1.00 0.00 C ATOM 109 C SER A 9 -28.956 13.690 -15.452 1.00 0.00 C ATOM 110 O SER A 9 -29.590 14.266 -14.568 1.00 0.00 O ATOM 111 CB SER A 9 -27.171 14.588 -16.995 1.00 0.00 C ATOM 112 OG SER A 9 -26.907 14.620 -18.381 1.00 0.00 O ATOM 0 H SER A 9 -29.666 16.029 -16.022 1.00 0.00 H new ATOM 0 HA SER A 9 -29.040 13.688 -17.574 1.00 0.00 H new ATOM 0 HB2 SER A 9 -26.863 15.523 -16.528 1.00 0.00 H new ATOM 0 HB3 SER A 9 -26.601 13.791 -16.518 1.00 0.00 H new ATOM 0 HG SER A 9 -27.699 14.946 -18.857 1.00 0.00 H new ATOM 118 N VAL A 10 -28.512 12.433 -15.309 1.00 0.00 N ATOM 119 CA VAL A 10 -28.776 11.581 -14.138 1.00 0.00 C ATOM 120 C VAL A 10 -28.129 12.158 -12.875 1.00 0.00 C ATOM 121 O VAL A 10 -26.981 11.872 -12.541 1.00 0.00 O ATOM 122 CB VAL A 10 -28.346 10.119 -14.388 1.00 0.00 C ATOM 123 CG1 VAL A 10 -28.764 9.214 -13.219 1.00 0.00 C ATOM 124 CG2 VAL A 10 -28.981 9.546 -15.664 1.00 0.00 C ATOM 0 H VAL A 10 -27.946 11.969 -16.020 1.00 0.00 H new ATOM 0 HA VAL A 10 -29.854 11.570 -13.975 1.00 0.00 H new ATOM 0 HB VAL A 10 -27.261 10.136 -14.492 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -28.449 8.190 -13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -28.292 9.564 -12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -29.848 9.244 -13.105 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -28.653 8.516 -15.803 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -30.067 9.572 -15.573 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -28.675 10.143 -16.523 1.00 0.00 H new ATOM 134 N CYS A 11 -28.898 12.973 -12.156 1.00 0.00 N ATOM 135 CA CYS A 11 -28.446 13.719 -10.986 1.00 0.00 C ATOM 136 C CYS A 11 -27.827 12.799 -9.911 1.00 0.00 C ATOM 137 O CYS A 11 -28.419 11.770 -9.554 1.00 0.00 O ATOM 138 CB CYS A 11 -29.663 14.494 -10.469 1.00 0.00 C ATOM 139 SG CYS A 11 -29.402 15.640 -9.095 1.00 0.00 S ATOM 0 H CYS A 11 -29.880 13.136 -12.378 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.642 14.406 -11.251 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -30.081 15.058 -11.303 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -30.418 13.770 -10.164 1.00 0.00 H new ATOM 144 N SER A 12 -26.655 13.173 -9.383 1.00 0.00 N ATOM 145 CA SER A 12 -25.839 12.384 -8.444 1.00 0.00 C ATOM 146 C SER A 12 -25.276 13.235 -7.292 1.00 0.00 C ATOM 147 O SER A 12 -25.106 14.447 -7.436 1.00 0.00 O ATOM 148 CB SER A 12 -24.718 11.677 -9.216 1.00 0.00 C ATOM 149 OG SER A 12 -23.921 10.914 -8.328 1.00 0.00 O ATOM 0 H SER A 12 -26.229 14.072 -9.606 1.00 0.00 H new ATOM 0 HA SER A 12 -26.484 11.639 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.146 11.029 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.100 12.413 -9.730 1.00 0.00 H new ATOM 0 HG SER A 12 -23.209 10.465 -8.831 1.00 0.00 H new ATOM 155 N LEU A 13 -25.005 12.594 -6.145 1.00 0.00 N ATOM 156 CA LEU A 13 -24.736 13.236 -4.848 1.00 0.00 C ATOM 157 C LEU A 13 -23.379 13.957 -4.772 1.00 0.00 C ATOM 158 O LEU A 13 -23.289 15.000 -4.132 1.00 0.00 O ATOM 159 CB LEU A 13 -24.847 12.203 -3.708 1.00 0.00 C ATOM 160 CG LEU A 13 -26.246 11.571 -3.539 1.00 0.00 C ATOM 161 CD1 LEU A 13 -26.393 10.255 -4.315 1.00 0.00 C ATOM 162 CD2 LEU A 13 -26.522 11.257 -2.070 1.00 0.00 C ATOM 0 H LEU A 13 -24.966 11.576 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.497 14.009 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.124 11.407 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.566 12.685 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 13 -26.952 12.305 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.394 9.852 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.234 10.439 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -25.655 9.537 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -27.513 10.813 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -25.772 10.557 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -26.478 12.177 -1.487 1.00 0.00 H new ATOM 174 N TYR A 14 -22.351 13.463 -5.474 1.00 0.00 N ATOM 175 CA TYR A 14 -21.046 14.135 -5.566 1.00 0.00 C ATOM 176 C TYR A 14 -21.148 15.570 -6.114 1.00 0.00 C ATOM 177 O TYR A 14 -20.331 16.420 -5.773 1.00 0.00 O ATOM 178 CB TYR A 14 -20.112 13.325 -6.474 1.00 0.00 C ATOM 179 CG TYR A 14 -19.932 11.871 -6.085 1.00 0.00 C ATOM 180 CD1 TYR A 14 -19.024 11.524 -5.066 1.00 0.00 C ATOM 181 CD2 TYR A 14 -20.652 10.866 -6.759 1.00 0.00 C ATOM 182 CE1 TYR A 14 -18.824 10.172 -4.727 1.00 0.00 C ATOM 183 CE2 TYR A 14 -20.464 9.514 -6.413 1.00 0.00 C ATOM 184 CZ TYR A 14 -19.544 9.164 -5.403 1.00 0.00 C ATOM 185 OH TYR A 14 -19.349 7.854 -5.100 1.00 0.00 O ATOM 0 H TYR A 14 -22.399 12.587 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.651 14.196 -4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.497 13.367 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.134 13.806 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.480 12.297 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.348 11.132 -7.541 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.121 9.907 -3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.025 8.744 -6.922 1.00 0.00 H new ATOM 0 HH TYR A 14 -19.929 7.298 -5.662 1.00 0.00 H new ATOM 195 N GLN A 15 -22.179 15.856 -6.921 1.00 0.00 N ATOM 196 CA GLN A 15 -22.493 17.205 -7.400 1.00 0.00 C ATOM 197 C GLN A 15 -22.926 18.151 -6.260 1.00 0.00 C ATOM 198 O GLN A 15 -22.766 19.361 -6.385 1.00 0.00 O ATOM 199 CB GLN A 15 -23.625 17.127 -8.438 1.00 0.00 C ATOM 200 CG GLN A 15 -23.379 16.188 -9.638 1.00 0.00 C ATOM 201 CD GLN A 15 -24.607 16.073 -10.543 1.00 0.00 C ATOM 202 OE1 GLN A 15 -24.534 16.057 -11.755 1.00 0.00 O ATOM 203 NE2 GLN A 15 -25.800 15.971 -10.004 1.00 0.00 N ATOM 0 H GLN A 15 -22.826 15.145 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.583 17.611 -7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.535 16.805 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.811 18.131 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.535 16.558 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -23.105 15.198 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -25.904 15.980 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -26.623 15.882 -10.600 1.00 0.00 H new ATOM 212 N LEU A 16 -23.479 17.617 -5.165 1.00 0.00 N ATOM 213 CA LEU A 16 -23.942 18.387 -4.009 1.00 0.00 C ATOM 214 C LEU A 16 -22.768 18.683 -3.056 1.00 0.00 C ATOM 215 O LEU A 16 -22.521 19.843 -2.728 1.00 0.00 O ATOM 216 CB LEU A 16 -25.100 17.639 -3.303 1.00 0.00 C ATOM 217 CG LEU A 16 -26.215 17.075 -4.215 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.232 16.301 -3.377 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.977 18.144 -4.999 1.00 0.00 C ATOM 0 H LEU A 16 -23.620 16.612 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.331 19.348 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.675 16.813 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.558 18.319 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.705 16.434 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.014 15.907 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.732 15.476 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.676 16.967 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.741 17.669 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.450 18.837 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.283 18.689 -5.639 1.00 0.00 H new ATOM 231 N GLU A 17 -21.988 17.653 -2.695 1.00 0.00 N ATOM 232 CA GLU A 17 -20.839 17.774 -1.772 1.00 0.00 C ATOM 233 C GLU A 17 -19.802 18.793 -2.269 1.00 0.00 C ATOM 234 O GLU A 17 -19.382 19.691 -1.540 1.00 0.00 O ATOM 235 CB GLU A 17 -20.145 16.405 -1.615 1.00 0.00 C ATOM 236 CG GLU A 17 -21.021 15.276 -1.049 1.00 0.00 C ATOM 237 CD GLU A 17 -21.323 15.431 0.452 1.00 0.00 C ATOM 238 OE1 GLU A 17 -21.143 16.543 0.997 1.00 0.00 O ATOM 239 OE2 GLU A 17 -21.747 14.413 1.037 1.00 0.00 O ATOM 0 H GLU A 17 -22.134 16.703 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.232 18.120 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.769 16.095 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.279 16.529 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.961 15.245 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.522 14.321 -1.215 1.00 0.00 H new ATOM 246 N ASN A 18 -19.469 18.725 -3.564 1.00 0.00 N ATOM 247 CA ASN A 18 -18.488 19.583 -4.235 1.00 0.00 C ATOM 248 C ASN A 18 -18.903 21.074 -4.327 1.00 0.00 C ATOM 249 O ASN A 18 -18.244 21.861 -5.002 1.00 0.00 O ATOM 250 CB ASN A 18 -18.219 18.948 -5.613 1.00 0.00 C ATOM 251 CG ASN A 18 -16.933 19.429 -6.254 1.00 0.00 C ATOM 252 OD1 ASN A 18 -15.840 19.174 -5.787 1.00 0.00 O ATOM 253 ND2 ASN A 18 -17.017 20.101 -7.378 1.00 0.00 N ATOM 0 H ASN A 18 -19.892 18.045 -4.196 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.575 19.626 -3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.179 17.864 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.054 19.171 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.168 20.406 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.931 20.318 -7.775 1.00 0.00 H new ATOM 260 N TYR A 19 -20.023 21.460 -3.708 1.00 0.00 N ATOM 261 CA TYR A 19 -20.575 22.818 -3.679 1.00 0.00 C ATOM 262 C TYR A 19 -20.822 23.370 -2.258 1.00 0.00 C ATOM 263 O TYR A 19 -21.330 24.494 -2.134 1.00 0.00 O ATOM 264 CB TYR A 19 -21.810 22.871 -4.600 1.00 0.00 C ATOM 265 CG TYR A 19 -21.426 23.239 -6.022 1.00 0.00 C ATOM 266 CD1 TYR A 19 -21.612 24.559 -6.462 1.00 0.00 C ATOM 267 CD2 TYR A 19 -20.785 22.313 -6.864 1.00 0.00 C ATOM 268 CE1 TYR A 19 -21.116 24.968 -7.709 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.320 22.704 -8.136 1.00 0.00 C ATOM 270 CZ TYR A 19 -20.493 24.036 -8.566 1.00 0.00 C ATOM 271 OH TYR A 19 -20.157 24.406 -9.834 1.00 0.00 O ATOM 0 H TYR A 19 -20.599 20.799 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.824 23.505 -4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.311 21.903 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.523 23.600 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -22.140 25.264 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.648 21.294 -6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -21.211 26.000 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.833 21.986 -8.779 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.736 23.650 -10.294 1.00 0.00 H new ATOM 281 N CYS A 20 -20.423 22.646 -1.205 1.00 0.00 N ATOM 282 CA CYS A 20 -20.550 23.096 0.182 1.00 0.00 C ATOM 283 C CYS A 20 -19.201 23.389 0.875 1.00 0.00 C ATOM 284 O CYS A 20 -18.139 23.344 0.254 1.00 0.00 O ATOM 285 CB CYS A 20 -21.418 22.096 0.958 1.00 0.00 C ATOM 286 SG CYS A 20 -22.437 22.943 2.194 1.00 0.00 S ATOM 0 H CYS A 20 -19.999 21.723 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.047 24.066 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.059 21.551 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -20.781 21.360 1.449 1.00 0.00 H new ATOM 291 N ASN A 21 -19.272 23.739 2.163 1.00 0.00 N ATOM 292 CA ASN A 21 -18.192 23.791 3.158 1.00 0.00 C ATOM 293 C ASN A 21 -18.716 23.066 4.407 1.00 0.00 C ATOM 294 O ASN A 21 -19.867 23.342 4.797 1.00 0.00 O ATOM 295 CB ASN A 21 -17.791 25.260 3.476 1.00 0.00 C ATOM 296 CG ASN A 21 -17.002 26.041 2.428 1.00 0.00 C ATOM 297 OD1 ASN A 21 -16.676 27.201 2.619 1.00 0.00 O ATOM 298 ND2 ASN A 21 -16.669 25.476 1.293 1.00 0.00 N ATOM 299 OXT ASN A 21 -18.030 22.174 4.945 1.00 0.00 O ATOM 0 H ASN A 21 -20.163 24.018 2.573 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.289 23.309 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.705 25.816 3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.205 25.253 4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.149 26.005 0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.930 24.507 1.110 1.00 0.00 H new ATOM 307 N PHE B 1 -30.736 10.400 -8.747 1.00 0.00 N ATOM 308 CA PHE B 1 -30.725 10.750 -7.310 1.00 0.00 C ATOM 309 C PHE B 1 -32.149 10.618 -6.797 1.00 0.00 C ATOM 310 O PHE B 1 -32.515 9.513 -6.429 1.00 0.00 O ATOM 311 CB PHE B 1 -30.051 12.105 -7.025 1.00 0.00 C ATOM 312 CG PHE B 1 -30.360 12.692 -5.665 1.00 0.00 C ATOM 313 CD1 PHE B 1 -29.908 12.054 -4.496 1.00 0.00 C ATOM 314 CD2 PHE B 1 -31.160 13.848 -5.568 1.00 0.00 C ATOM 315 CE1 PHE B 1 -30.264 12.563 -3.235 1.00 0.00 C ATOM 316 CE2 PHE B 1 -31.540 14.336 -4.308 1.00 0.00 C ATOM 317 CZ PHE B 1 -31.088 13.696 -3.140 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.987 10.928 -9.239 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.570 9.379 -8.857 1.00 0.00 H new ATOM 0 H3 PHE B 1 -31.659 10.647 -9.157 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.094 10.058 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.972 11.985 -7.117 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -30.359 12.817 -7.791 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -29.287 11.173 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -31.481 14.359 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -29.903 12.082 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -32.180 15.203 -4.235 1.00 0.00 H new ATOM 0 HZ PHE B 1 -31.375 14.076 -2.170 1.00 0.00 H new ATOM 329 N VAL B 2 -32.985 11.651 -6.946 1.00 0.00 N ATOM 330 CA VAL B 2 -34.423 11.449 -7.177 1.00 0.00 C ATOM 331 C VAL B 2 -34.622 10.729 -8.525 1.00 0.00 C ATOM 332 O VAL B 2 -33.693 10.703 -9.345 1.00 0.00 O ATOM 333 CB VAL B 2 -35.159 12.801 -7.079 1.00 0.00 C ATOM 334 CG1 VAL B 2 -34.913 13.692 -8.301 1.00 0.00 C ATOM 335 CG2 VAL B 2 -36.665 12.625 -6.868 1.00 0.00 C ATOM 0 H VAL B 2 -32.696 12.629 -6.912 1.00 0.00 H new ATOM 0 HA VAL B 2 -34.859 10.808 -6.410 1.00 0.00 H new ATOM 0 HB VAL B 2 -34.740 13.297 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -35.453 14.631 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -33.846 13.896 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -35.264 13.183 -9.199 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -37.140 13.604 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -37.087 12.070 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -36.841 12.076 -5.943 1.00 0.00 H new ATOM 345 N ASN B 3 -35.788 10.122 -8.735 1.00 0.00 N ATOM 346 CA ASN B 3 -36.072 9.155 -9.801 1.00 0.00 C ATOM 347 C ASN B 3 -36.152 9.748 -11.224 1.00 0.00 C ATOM 348 O ASN B 3 -36.181 8.991 -12.191 1.00 0.00 O ATOM 349 CB ASN B 3 -37.376 8.416 -9.432 1.00 0.00 C ATOM 350 CG ASN B 3 -37.368 7.837 -8.023 1.00 0.00 C ATOM 351 OD1 ASN B 3 -37.370 8.549 -7.033 1.00 0.00 O ATOM 352 ND2 ASN B 3 -37.341 6.533 -7.878 1.00 0.00 N ATOM 0 H ASN B 3 -36.599 10.296 -8.142 1.00 0.00 H new ATOM 0 HA ASN B 3 -35.223 8.473 -9.854 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -38.215 9.105 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.542 7.610 -10.147 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -37.322 6.124 -6.944 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -37.339 5.928 -8.700 1.00 0.00 H new ATOM 359 N GLN B 4 -36.179 11.075 -11.365 1.00 0.00 N ATOM 360 CA GLN B 4 -36.424 11.787 -12.622 1.00 0.00 C ATOM 361 C GLN B 4 -35.676 13.130 -12.653 1.00 0.00 C ATOM 362 O GLN B 4 -35.563 13.795 -11.625 1.00 0.00 O ATOM 363 CB GLN B 4 -37.947 11.956 -12.823 1.00 0.00 C ATOM 364 CG GLN B 4 -38.640 13.021 -11.945 1.00 0.00 C ATOM 365 CD GLN B 4 -38.491 12.835 -10.431 1.00 0.00 C ATOM 366 OE1 GLN B 4 -38.586 11.747 -9.887 1.00 0.00 O ATOM 367 NE2 GLN B 4 -38.238 13.888 -9.681 1.00 0.00 N ATOM 0 H GLN B 4 -36.025 11.706 -10.579 1.00 0.00 H new ATOM 0 HA GLN B 4 -36.034 11.202 -13.455 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -38.128 12.204 -13.869 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -38.425 10.995 -12.636 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -38.243 14.000 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -39.702 13.030 -12.188 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -38.153 14.810 -10.109 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -38.127 13.781 -8.673 1.00 0.00 H new ATOM 376 N HIS B 5 -35.186 13.550 -13.823 1.00 0.00 N ATOM 377 CA HIS B 5 -34.276 14.708 -13.998 1.00 0.00 C ATOM 378 C HIS B 5 -35.007 16.065 -14.004 1.00 0.00 C ATOM 379 O HIS B 5 -34.789 16.923 -14.855 1.00 0.00 O ATOM 380 CB HIS B 5 -33.371 14.488 -15.227 1.00 0.00 C ATOM 381 CG HIS B 5 -32.959 13.045 -15.403 1.00 0.00 C ATOM 382 ND1 HIS B 5 -32.372 12.235 -14.426 1.00 0.00 N ATOM 383 CD2 HIS B 5 -33.296 12.270 -16.473 1.00 0.00 C ATOM 384 CE1 HIS B 5 -32.378 10.993 -14.932 1.00 0.00 C ATOM 385 NE2 HIS B 5 -32.913 10.984 -16.163 1.00 0.00 N ATOM 0 H HIS B 5 -35.412 13.088 -14.704 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.632 14.763 -13.120 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -33.895 14.823 -16.122 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -32.479 15.106 -15.130 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -33.771 12.600 -17.385 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -32.004 10.119 -14.419 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -33.018 10.167 -16.764 1.00 0.00 H new ATOM 393 N LEU B 6 -35.965 16.212 -13.087 1.00 0.00 N ATOM 394 CA LEU B 6 -36.830 17.381 -12.963 1.00 0.00 C ATOM 395 C LEU B 6 -36.037 18.537 -12.339 1.00 0.00 C ATOM 396 O LEU B 6 -35.434 18.393 -11.276 1.00 0.00 O ATOM 397 CB LEU B 6 -38.099 16.962 -12.192 1.00 0.00 C ATOM 398 CG LEU B 6 -39.246 17.974 -12.012 1.00 0.00 C ATOM 399 CD1 LEU B 6 -38.964 19.033 -10.952 1.00 0.00 C ATOM 400 CD2 LEU B 6 -39.651 18.649 -13.321 1.00 0.00 C ATOM 0 H LEU B 6 -36.165 15.496 -12.389 1.00 0.00 H new ATOM 0 HA LEU B 6 -37.167 17.756 -13.929 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -38.512 16.087 -12.693 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -37.787 16.642 -11.198 1.00 0.00 H new ATOM 0 HG LEU B 6 -40.083 17.370 -11.661 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.814 19.711 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -38.802 18.549 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -38.073 19.597 -11.229 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.463 19.351 -13.132 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.796 19.185 -13.734 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -39.983 17.893 -14.033 1.00 0.00 H new ATOM 412 N CYS B 7 -36.040 19.680 -13.020 1.00 0.00 N ATOM 413 CA CYS B 7 -35.288 20.870 -12.635 1.00 0.00 C ATOM 414 C CYS B 7 -35.969 21.669 -11.510 1.00 0.00 C ATOM 415 O CYS B 7 -37.129 22.058 -11.656 1.00 0.00 O ATOM 416 CB CYS B 7 -35.129 21.726 -13.896 1.00 0.00 C ATOM 417 SG CYS B 7 -33.829 22.976 -13.818 1.00 0.00 S ATOM 0 H CYS B 7 -36.579 19.807 -13.876 1.00 0.00 H new ATOM 0 HA CYS B 7 -34.320 20.573 -12.232 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.927 21.067 -14.740 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -36.077 22.223 -14.100 1.00 0.00 H new ATOM 422 N GLY B 8 -35.256 21.968 -10.419 1.00 0.00 N ATOM 423 CA GLY B 8 -35.798 22.820 -9.357 1.00 0.00 C ATOM 424 C GLY B 8 -34.993 22.874 -8.057 1.00 0.00 C ATOM 425 O GLY B 8 -33.974 22.199 -7.881 1.00 0.00 O ATOM 0 H GLY B 8 -34.307 21.634 -10.249 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -35.890 23.834 -9.745 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.805 22.476 -9.122 1.00 0.00 H new ATOM 429 N SER B 9 -35.491 23.687 -7.118 1.00 0.00 N ATOM 430 CA SER B 9 -34.908 23.854 -5.777 1.00 0.00 C ATOM 431 C SER B 9 -34.963 22.591 -4.910 1.00 0.00 C ATOM 432 O SER B 9 -34.359 22.578 -3.844 1.00 0.00 O ATOM 433 CB SER B 9 -35.567 25.010 -5.014 1.00 0.00 C ATOM 434 OG SER B 9 -35.443 26.225 -5.733 1.00 0.00 O ATOM 0 H SER B 9 -36.323 24.257 -7.269 1.00 0.00 H new ATOM 0 HA SER B 9 -33.857 24.078 -5.962 1.00 0.00 H new ATOM 0 HB2 SER B 9 -36.621 24.787 -4.847 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.104 25.114 -4.033 1.00 0.00 H new ATOM 0 HG SER B 9 -35.871 26.948 -5.229 1.00 0.00 H new ATOM 440 N HIS B 10 -35.580 21.501 -5.374 1.00 0.00 N ATOM 441 CA HIS B 10 -35.530 20.173 -4.745 1.00 0.00 C ATOM 442 C HIS B 10 -34.098 19.649 -4.588 1.00 0.00 C ATOM 443 O HIS B 10 -33.780 18.935 -3.641 1.00 0.00 O ATOM 444 CB HIS B 10 -36.325 19.177 -5.601 1.00 0.00 C ATOM 445 CG HIS B 10 -37.605 19.725 -6.173 1.00 0.00 C ATOM 446 ND1 HIS B 10 -37.697 20.485 -7.344 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.840 19.613 -5.616 1.00 0.00 C ATOM 448 CE1 HIS B 10 -38.997 20.783 -7.482 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.705 20.277 -6.457 1.00 0.00 N ATOM 0 H HIS B 10 -36.146 21.516 -6.223 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.961 20.272 -3.749 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.692 18.837 -6.421 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -36.559 18.302 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -39.092 19.105 -4.697 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -39.416 21.349 -8.301 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.712 20.369 -6.325 1.00 0.00 H new ATOM 457 N LEU B 11 -33.199 20.026 -5.501 1.00 0.00 N ATOM 458 CA LEU B 11 -31.768 19.728 -5.391 1.00 0.00 C ATOM 459 C LEU B 11 -31.021 20.667 -4.414 1.00 0.00 C ATOM 460 O LEU B 11 -29.918 20.344 -3.982 1.00 0.00 O ATOM 461 CB LEU B 11 -31.125 19.725 -6.789 1.00 0.00 C ATOM 462 CG LEU B 11 -31.607 18.669 -7.810 1.00 0.00 C ATOM 463 CD1 LEU B 11 -31.827 17.277 -7.209 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.868 19.067 -8.576 1.00 0.00 C ATOM 0 H LEU B 11 -33.444 20.549 -6.342 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.675 18.732 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.280 20.710 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -30.050 19.599 -6.661 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.773 18.625 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -32.164 16.593 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.891 16.911 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.582 17.334 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -33.138 18.272 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.685 19.228 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.681 19.986 -9.131 1.00 0.00 H new ATOM 476 N VAL B 12 -31.624 21.802 -4.038 1.00 0.00 N ATOM 477 CA VAL B 12 -31.225 22.653 -2.900 1.00 0.00 C ATOM 478 C VAL B 12 -31.795 22.124 -1.580 1.00 0.00 C ATOM 479 O VAL B 12 -31.079 22.119 -0.582 1.00 0.00 O ATOM 480 CB VAL B 12 -31.583 24.135 -3.175 1.00 0.00 C ATOM 481 CG1 VAL B 12 -32.069 24.940 -1.961 1.00 0.00 C ATOM 482 CG2 VAL B 12 -30.343 24.834 -3.749 1.00 0.00 C ATOM 0 H VAL B 12 -32.435 22.171 -4.535 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.141 22.610 -2.792 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.425 24.108 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -32.291 25.962 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.970 24.479 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -31.292 24.951 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -30.575 25.880 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -29.526 24.775 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -30.046 24.344 -4.676 1.00 0.00 H new ATOM 492 N GLU B 13 -33.009 21.569 -1.568 1.00 0.00 N ATOM 493 CA GLU B 13 -33.495 20.749 -0.447 1.00 0.00 C ATOM 494 C GLU B 13 -32.563 19.542 -0.228 1.00 0.00 C ATOM 495 O GLU B 13 -32.162 19.260 0.899 1.00 0.00 O ATOM 496 CB GLU B 13 -34.952 20.319 -0.679 1.00 0.00 C ATOM 497 CG GLU B 13 -35.920 21.520 -0.700 1.00 0.00 C ATOM 498 CD GLU B 13 -37.315 21.190 -1.261 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.470 20.124 -1.903 1.00 0.00 O ATOM 500 OE2 GLU B 13 -38.215 22.042 -1.085 1.00 0.00 O ATOM 0 H GLU B 13 -33.682 21.672 -2.328 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.480 21.347 0.464 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.024 19.781 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.253 19.626 0.106 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.029 21.903 0.314 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.479 22.318 -1.297 1.00 0.00 H new ATOM 507 N ALA B 14 -32.089 18.905 -1.304 1.00 0.00 N ATOM 508 CA ALA B 14 -31.078 17.846 -1.240 1.00 0.00 C ATOM 509 C ALA B 14 -29.728 18.298 -0.648 1.00 0.00 C ATOM 510 O ALA B 14 -29.090 17.532 0.068 1.00 0.00 O ATOM 511 CB ALA B 14 -30.880 17.263 -2.636 1.00 0.00 C ATOM 0 H ALA B 14 -32.400 19.113 -2.253 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.455 17.088 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.129 16.474 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.823 16.850 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.547 18.048 -3.314 1.00 0.00 H new ATOM 517 N LEU B 15 -29.290 19.534 -0.917 1.00 0.00 N ATOM 518 CA LEU B 15 -28.109 20.128 -0.272 1.00 0.00 C ATOM 519 C LEU B 15 -28.329 20.364 1.240 1.00 0.00 C ATOM 520 O LEU B 15 -27.392 20.204 2.025 1.00 0.00 O ATOM 521 CB LEU B 15 -27.724 21.424 -1.010 1.00 0.00 C ATOM 522 CG LEU B 15 -26.859 21.206 -2.263 1.00 0.00 C ATOM 523 CD1 LEU B 15 -27.105 22.291 -3.317 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.375 21.269 -1.889 1.00 0.00 C ATOM 0 H LEU B 15 -29.744 20.153 -1.589 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.280 19.424 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.635 21.948 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.186 22.075 -0.320 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.128 20.231 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.476 22.102 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.153 22.276 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.861 23.267 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.768 21.114 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.149 22.246 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.151 20.492 -1.158 1.00 0.00 H new ATOM 536 N TYR B 16 -29.555 20.666 1.693 1.00 0.00 N ATOM 537 CA TYR B 16 -29.881 20.642 3.132 1.00 0.00 C ATOM 538 C TYR B 16 -29.898 19.216 3.709 1.00 0.00 C ATOM 539 O TYR B 16 -29.435 19.021 4.831 1.00 0.00 O ATOM 540 CB TYR B 16 -31.213 21.349 3.437 1.00 0.00 C ATOM 541 CG TYR B 16 -31.192 22.857 3.270 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.388 23.651 4.116 1.00 0.00 C ATOM 543 CD2 TYR B 16 -31.986 23.472 2.284 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.358 25.049 3.955 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.962 24.869 2.122 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.144 25.660 2.952 1.00 0.00 C ATOM 547 OH TYR B 16 -31.116 27.006 2.775 1.00 0.00 O ATOM 0 H TYR B 16 -30.335 20.929 1.090 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.079 21.193 3.623 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.983 20.937 2.785 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.504 21.116 4.461 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -29.795 23.185 4.889 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.617 22.868 1.649 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -29.735 25.654 4.597 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.571 25.335 1.361 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.717 27.252 2.041 1.00 0.00 H new ATOM 557 N LEU B 17 -30.345 18.217 2.939 1.00 0.00 N ATOM 558 CA LEU B 17 -30.309 16.784 3.287 1.00 0.00 C ATOM 559 C LEU B 17 -28.900 16.151 3.239 1.00 0.00 C ATOM 560 O LEU B 17 -28.770 14.951 3.477 1.00 0.00 O ATOM 561 CB LEU B 17 -31.290 16.009 2.378 1.00 0.00 C ATOM 562 CG LEU B 17 -32.776 16.371 2.563 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.605 15.827 1.396 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.326 15.789 3.867 1.00 0.00 C ATOM 0 H LEU B 17 -30.758 18.386 2.022 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.617 16.710 4.330 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -31.015 16.187 1.338 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.166 14.942 2.562 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.847 17.458 2.597 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.653 16.090 1.540 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.247 16.261 0.462 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.506 14.742 1.354 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.377 16.060 3.972 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.231 14.703 3.849 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.762 16.189 4.710 1.00 0.00 H new ATOM 576 N VAL B 18 -27.858 16.944 2.958 1.00 0.00 N ATOM 577 CA VAL B 18 -26.449 16.514 2.874 1.00 0.00 C ATOM 578 C VAL B 18 -25.545 17.383 3.754 1.00 0.00 C ATOM 579 O VAL B 18 -24.911 16.886 4.681 1.00 0.00 O ATOM 580 CB VAL B 18 -25.986 16.490 1.400 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.472 16.341 1.228 1.00 0.00 C ATOM 582 CG2 VAL B 18 -26.633 15.319 0.650 1.00 0.00 C ATOM 0 H VAL B 18 -27.973 17.941 2.775 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.371 15.499 3.262 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.291 17.456 0.997 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.226 16.332 0.166 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -23.967 17.177 1.711 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.144 15.407 1.684 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.295 15.319 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.347 14.380 1.125 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -27.718 15.424 0.677 1.00 0.00 H new ATOM 592 N CYS B 19 -25.501 18.695 3.500 1.00 0.00 N ATOM 593 CA CYS B 19 -24.608 19.631 4.191 1.00 0.00 C ATOM 594 C CYS B 19 -25.298 20.370 5.360 1.00 0.00 C ATOM 595 O CYS B 19 -24.693 20.592 6.414 1.00 0.00 O ATOM 596 CB CYS B 19 -24.058 20.591 3.135 1.00 0.00 C ATOM 597 SG CYS B 19 -22.706 21.628 3.713 1.00 0.00 S ATOM 0 H CYS B 19 -26.092 19.142 2.800 1.00 0.00 H new ATOM 0 HA CYS B 19 -23.794 19.084 4.665 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -23.716 20.012 2.277 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.868 21.231 2.785 1.00 0.00 H new ATOM 602 N GLY B 20 -26.585 20.705 5.182 1.00 0.00 N ATOM 603 CA GLY B 20 -27.515 21.145 6.227 1.00 0.00 C ATOM 604 C GLY B 20 -27.161 22.464 6.913 1.00 0.00 C ATOM 605 O GLY B 20 -27.617 23.532 6.516 1.00 0.00 O ATOM 0 H GLY B 20 -27.024 20.674 4.262 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.508 21.239 5.788 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.575 20.366 6.987 1.00 0.00 H new ATOM 609 N GLU B 21 -26.388 22.349 7.986 1.00 0.00 N ATOM 610 CA GLU B 21 -26.149 23.350 9.032 1.00 0.00 C ATOM 611 C GLU B 21 -25.515 24.660 8.536 1.00 0.00 C ATOM 612 O GLU B 21 -25.819 25.732 9.058 1.00 0.00 O ATOM 613 CB GLU B 21 -25.241 22.629 10.038 1.00 0.00 C ATOM 614 CG GLU B 21 -24.699 23.446 11.213 1.00 0.00 C ATOM 615 CD GLU B 21 -23.672 22.589 11.962 1.00 0.00 C ATOM 616 OE1 GLU B 21 -23.943 22.238 13.131 1.00 0.00 O ATOM 617 OE2 GLU B 21 -22.645 22.252 11.327 1.00 0.00 O ATOM 0 H GLU B 21 -25.870 21.489 8.166 1.00 0.00 H new ATOM 0 HA GLU B 21 -27.094 23.687 9.459 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -25.795 21.782 10.444 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.391 22.221 9.491 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.237 24.366 10.855 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -25.511 23.736 11.880 1.00 0.00 H new ATOM 624 N ARG B 22 -24.633 24.580 7.532 1.00 0.00 N ATOM 625 CA ARG B 22 -23.690 25.652 7.171 1.00 0.00 C ATOM 626 C ARG B 22 -24.185 26.602 6.073 1.00 0.00 C ATOM 627 O ARG B 22 -23.460 27.513 5.680 1.00 0.00 O ATOM 628 CB ARG B 22 -22.324 25.022 6.822 1.00 0.00 C ATOM 629 CG ARG B 22 -21.746 24.164 7.970 1.00 0.00 C ATOM 630 CD ARG B 22 -22.021 22.658 7.833 1.00 0.00 C ATOM 631 NE ARG B 22 -21.115 22.041 6.853 1.00 0.00 N ATOM 632 CZ ARG B 22 -20.983 20.767 6.555 1.00 0.00 C ATOM 633 NH1 ARG B 22 -21.853 19.863 6.922 1.00 0.00 N ATOM 634 NH2 ARG B 22 -19.958 20.386 5.855 1.00 0.00 N ATOM 0 H ARG B 22 -24.551 23.756 6.936 1.00 0.00 H new ATOM 0 HA ARG B 22 -23.592 26.299 8.043 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.432 24.403 5.932 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.617 25.814 6.576 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -20.669 24.322 8.019 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.163 24.513 8.915 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.898 22.173 8.802 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -23.055 22.500 7.526 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.512 22.683 6.339 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -22.674 20.135 7.462 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -21.710 18.885 6.668 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.269 21.071 5.544 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.841 19.401 5.616 1.00 0.00 H new ATOM 648 N GLY B 23 -25.392 26.388 5.542 1.00 0.00 N ATOM 649 CA GLY B 23 -25.746 26.909 4.215 1.00 0.00 C ATOM 650 C GLY B 23 -24.887 26.244 3.131 1.00 0.00 C ATOM 651 O GLY B 23 -24.416 25.129 3.336 1.00 0.00 O ATOM 0 H GLY B 23 -26.135 25.863 6.003 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -26.802 26.725 4.015 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -25.601 27.989 4.191 1.00 0.00 H new ATOM 655 N PHE B 24 -24.676 26.903 1.986 1.00 0.00 N ATOM 656 CA PHE B 24 -23.872 26.371 0.872 1.00 0.00 C ATOM 657 C PHE B 24 -22.861 27.412 0.366 1.00 0.00 C ATOM 658 O PHE B 24 -23.189 28.591 0.254 1.00 0.00 O ATOM 659 CB PHE B 24 -24.768 25.862 -0.277 1.00 0.00 C ATOM 660 CG PHE B 24 -26.087 25.230 0.139 1.00 0.00 C ATOM 661 CD1 PHE B 24 -26.111 24.166 1.061 1.00 0.00 C ATOM 662 CD2 PHE B 24 -27.302 25.759 -0.340 1.00 0.00 C ATOM 663 CE1 PHE B 24 -27.335 23.678 1.551 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.525 25.229 0.103 1.00 0.00 C ATOM 665 CZ PHE B 24 -28.540 24.187 1.044 1.00 0.00 C ATOM 0 H PHE B 24 -25.061 27.830 1.802 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.309 25.519 1.254 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -24.982 26.698 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.203 25.131 -0.855 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -25.184 23.722 1.394 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.293 26.574 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -27.348 22.914 2.315 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -29.454 25.623 -0.280 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.481 23.776 1.378 1.00 0.00 H new ATOM 675 N PHE B 25 -21.640 26.975 0.040 1.00 0.00 N ATOM 676 CA PHE B 25 -20.569 27.875 -0.399 1.00 0.00 C ATOM 677 C PHE B 25 -20.786 28.401 -1.821 1.00 0.00 C ATOM 678 O PHE B 25 -20.694 29.608 -2.049 1.00 0.00 O ATOM 679 CB PHE B 25 -19.216 27.160 -0.280 1.00 0.00 C ATOM 680 CG PHE B 25 -18.037 27.973 -0.794 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.528 27.754 -2.090 1.00 0.00 C ATOM 682 CD2 PHE B 25 -17.441 28.949 0.028 1.00 0.00 C ATOM 683 CE1 PHE B 25 -16.423 28.494 -2.553 1.00 0.00 C ATOM 684 CE2 PHE B 25 -16.335 29.686 -0.434 1.00 0.00 C ATOM 685 CZ PHE B 25 -15.820 29.454 -1.721 1.00 0.00 C ATOM 0 H PHE B 25 -21.367 25.993 0.073 1.00 0.00 H new ATOM 0 HA PHE B 25 -20.580 28.747 0.254 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.041 26.908 0.766 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.264 26.221 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -17.987 27.016 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -17.834 29.132 1.017 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -16.038 28.324 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -15.881 30.432 0.202 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.963 30.012 -2.070 1.00 0.00 H new ATOM 695 N TYR B 26 -21.070 27.497 -2.765 1.00 0.00 N ATOM 696 CA TYR B 26 -21.377 27.753 -4.180 1.00 0.00 C ATOM 697 C TYR B 26 -20.326 28.489 -5.036 1.00 0.00 C ATOM 698 O TYR B 26 -19.360 29.073 -4.546 1.00 0.00 O ATOM 699 CB TYR B 26 -22.793 28.351 -4.321 1.00 0.00 C ATOM 700 CG TYR B 26 -23.795 27.325 -4.806 1.00 0.00 C ATOM 701 CD1 TYR B 26 -24.389 27.443 -6.079 1.00 0.00 C ATOM 702 CD2 TYR B 26 -24.081 26.211 -3.994 1.00 0.00 C ATOM 703 CE1 TYR B 26 -25.281 26.449 -6.530 1.00 0.00 C ATOM 704 CE2 TYR B 26 -24.962 25.214 -4.444 1.00 0.00 C ATOM 705 CZ TYR B 26 -25.577 25.339 -5.709 1.00 0.00 C ATOM 706 OH TYR B 26 -26.445 24.389 -6.145 1.00 0.00 O ATOM 0 H TYR B 26 -21.094 26.501 -2.548 1.00 0.00 H new ATOM 0 HA TYR B 26 -21.338 26.763 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.117 28.748 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -22.765 29.189 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.161 28.292 -6.707 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -23.621 26.123 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -25.738 26.537 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -25.169 24.354 -3.824 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.770 24.628 -7.038 1.00 0.00 H new ATOM 716 N THR B 27 -20.527 28.440 -6.361 1.00 0.00 N ATOM 717 CA THR B 27 -19.731 29.141 -7.389 1.00 0.00 C ATOM 718 C THR B 27 -20.642 29.633 -8.533 1.00 0.00 C ATOM 719 O THR B 27 -21.642 28.955 -8.822 1.00 0.00 O ATOM 720 CB THR B 27 -18.622 28.249 -7.983 1.00 0.00 C ATOM 721 OG1 THR B 27 -19.172 27.246 -8.802 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.753 27.533 -6.951 1.00 0.00 C ATOM 0 H THR B 27 -21.282 27.887 -6.767 1.00 0.00 H new ATOM 0 HA THR B 27 -19.258 29.988 -6.892 1.00 0.00 H new ATOM 0 HB THR B 27 -17.995 28.948 -8.537 1.00 0.00 H new ATOM 0 HG1 THR B 27 -19.544 26.534 -8.241 1.00 0.00 H new ATOM 0 HG21 THR B 27 -17.002 26.930 -7.463 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.258 28.270 -6.319 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.378 26.887 -6.334 1.00 0.00 H new ATOM 730 N PRO B 28 -20.307 30.730 -9.249 1.00 0.00 N ATOM 731 CA PRO B 28 -19.149 31.627 -9.069 1.00 0.00 C ATOM 732 C PRO B 28 -19.259 32.524 -7.814 1.00 0.00 C ATOM 733 O PRO B 28 -20.097 32.284 -6.947 1.00 0.00 O ATOM 734 CB PRO B 28 -19.108 32.443 -10.373 1.00 0.00 C ATOM 735 CG PRO B 28 -20.582 32.584 -10.736 1.00 0.00 C ATOM 736 CD PRO B 28 -21.135 31.214 -10.349 1.00 0.00 C ATOM 0 HA PRO B 28 -18.229 31.069 -8.894 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.634 33.413 -10.227 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -18.548 31.929 -11.154 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -21.064 33.390 -10.182 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.723 32.797 -11.796 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -22.179 31.289 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -21.097 30.527 -11.195 1.00 0.00 H new ATOM 744 N LYS B 29 -18.384 33.531 -7.707 1.00 0.00 N ATOM 745 CA LYS B 29 -18.375 34.570 -6.667 1.00 0.00 C ATOM 746 C LYS B 29 -17.864 35.899 -7.249 1.00 0.00 C ATOM 747 O LYS B 29 -17.354 35.907 -8.371 1.00 0.00 O ATOM 748 CB LYS B 29 -17.475 34.135 -5.487 1.00 0.00 C ATOM 749 CG LYS B 29 -18.095 34.473 -4.117 1.00 0.00 C ATOM 750 CD LYS B 29 -18.858 33.283 -3.520 1.00 0.00 C ATOM 751 CE LYS B 29 -17.845 32.289 -2.939 1.00 0.00 C ATOM 752 NZ LYS B 29 -18.448 30.963 -2.678 1.00 0.00 N ATOM 0 H LYS B 29 -17.624 33.650 -8.377 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.394 34.709 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.297 33.061 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.505 34.625 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.307 34.780 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.772 35.320 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -19.541 33.624 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -19.464 32.800 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.011 32.177 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.437 32.690 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.802 30.398 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.352 31.085 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.614 30.473 -3.580 1.00 0.00 H new