USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 277 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 8 ASN : amide:sc= 1.05 K(o=2.3,f=-4.6) USER MOD Set 1.2: A 11 LYS NZ :NH3+ 172:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.012) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0543) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0406 (180deg=-0.31) USER MOD Single : A 18 SER OG : rot 71:sc= 0.382 USER MOD Single : A 22 CYS SG : rot -26:sc= 0.00384 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.599 -2.141 11.400 1.00 0.00 N ATOM 2 CA MET A 1 -30.296 -1.505 11.696 1.00 0.00 C ATOM 3 C MET A 1 -29.412 -1.543 10.457 1.00 0.00 C ATOM 4 O MET A 1 -28.769 -2.553 10.168 1.00 0.00 O ATOM 5 CB MET A 1 -29.609 -2.224 12.861 1.00 0.00 C ATOM 6 CG MET A 1 -28.362 -1.521 13.370 1.00 0.00 C ATOM 7 SD MET A 1 -27.652 -2.341 14.810 1.00 0.00 S ATOM 8 CE MET A 1 -26.289 -1.241 15.188 1.00 0.00 C ATOM 0 H1 MET A 1 -32.200 -2.113 12.249 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.068 -1.628 10.627 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.446 -3.130 11.117 1.00 0.00 H new ATOM 0 HA MET A 1 -30.463 -0.466 11.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.319 -2.324 13.682 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.342 -3.233 12.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.619 -1.483 12.574 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.608 -0.490 13.626 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.750 -1.615 16.059 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.612 -1.194 14.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.674 -0.244 15.400 1.00 0.00 H new ATOM 20 N ALA A 2 -29.392 -0.442 9.719 1.00 0.00 N ATOM 21 CA ALA A 2 -28.646 -0.376 8.471 1.00 0.00 C ATOM 22 C ALA A 2 -27.166 -0.119 8.725 1.00 0.00 C ATOM 23 O ALA A 2 -26.753 1.011 8.991 1.00 0.00 O ATOM 24 CB ALA A 2 -29.226 0.698 7.562 1.00 0.00 C ATOM 0 H ALA A 2 -29.884 0.418 9.963 1.00 0.00 H new ATOM 0 HA ALA A 2 -28.737 -1.342 7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -28.657 0.735 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -30.267 0.464 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -29.170 1.666 8.060 1.00 0.00 H new ATOM 30 N THR A 3 -26.377 -1.179 8.639 1.00 0.00 N ATOM 31 CA THR A 3 -24.935 -1.082 8.802 1.00 0.00 C ATOM 32 C THR A 3 -24.290 -0.694 7.474 1.00 0.00 C ATOM 33 O THR A 3 -23.100 -0.383 7.392 1.00 0.00 O ATOM 34 CB THR A 3 -24.359 -2.418 9.320 1.00 0.00 C ATOM 35 OG1 THR A 3 -25.137 -2.870 10.441 1.00 0.00 O ATOM 36 CG2 THR A 3 -22.904 -2.275 9.742 1.00 0.00 C ATOM 0 H THR A 3 -26.715 -2.124 8.456 1.00 0.00 H new ATOM 0 HA THR A 3 -24.712 -0.310 9.539 1.00 0.00 H new ATOM 0 HB THR A 3 -24.406 -3.143 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 3 -24.774 -3.719 10.770 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.533 -3.235 10.101 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.308 -1.952 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 3 -22.827 -1.536 10.539 1.00 0.00 H new ATOM 44 N LYS A 4 -25.108 -0.690 6.445 1.00 0.00 N ATOM 45 CA LYS A 4 -24.681 -0.275 5.119 1.00 0.00 C ATOM 46 C LYS A 4 -25.143 1.146 4.852 1.00 0.00 C ATOM 47 O LYS A 4 -26.232 1.377 4.328 1.00 0.00 O ATOM 48 CB LYS A 4 -25.219 -1.227 4.048 1.00 0.00 C ATOM 49 CG LYS A 4 -24.629 -2.627 4.126 1.00 0.00 C ATOM 50 CD LYS A 4 -25.242 -3.565 3.096 1.00 0.00 C ATOM 51 CE LYS A 4 -26.717 -3.818 3.365 1.00 0.00 C ATOM 52 NZ LYS A 4 -27.291 -4.814 2.423 1.00 0.00 N ATOM 0 H LYS A 4 -26.086 -0.973 6.499 1.00 0.00 H new ATOM 0 HA LYS A 4 -23.592 -0.308 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.303 -1.293 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.010 -0.808 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -23.551 -2.575 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -24.789 -3.032 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.123 -3.138 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -24.704 -4.513 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -26.844 -4.172 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -27.267 -2.881 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -28.298 -4.958 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -27.194 -4.466 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -26.784 -5.717 2.520 1.00 0.00 H new ATOM 66 N HIS A 5 -24.307 2.091 5.234 1.00 0.00 N ATOM 67 CA HIS A 5 -24.634 3.497 5.115 1.00 0.00 C ATOM 68 C HIS A 5 -23.551 4.211 4.319 1.00 0.00 C ATOM 69 O HIS A 5 -23.828 4.866 3.314 1.00 0.00 O ATOM 70 CB HIS A 5 -24.763 4.105 6.512 1.00 0.00 C ATOM 71 CG HIS A 5 -25.479 5.422 6.555 1.00 0.00 C ATOM 72 ND1 HIS A 5 -26.625 5.627 7.293 1.00 0.00 N ATOM 73 CD2 HIS A 5 -25.195 6.611 5.969 1.00 0.00 C ATOM 74 CE1 HIS A 5 -27.013 6.881 7.159 1.00 0.00 C ATOM 75 NE2 HIS A 5 -26.162 7.498 6.363 1.00 0.00 N ATOM 0 H HIS A 5 -23.387 1.907 5.634 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.582 3.613 4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.289 3.399 7.154 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -23.765 4.235 6.931 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.362 6.820 5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -27.881 7.327 7.623 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -26.215 8.478 6.085 1.00 0.00 H new ATOM 84 N GLY A 6 -22.310 4.067 4.769 1.00 0.00 N ATOM 85 CA GLY A 6 -21.198 4.690 4.080 1.00 0.00 C ATOM 86 C GLY A 6 -19.966 3.812 4.064 1.00 0.00 C ATOM 87 O GLY A 6 -19.170 3.873 3.129 1.00 0.00 O ATOM 0 H GLY A 6 -22.055 3.530 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -21.491 4.919 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -20.960 5.638 4.563 1.00 0.00 H new ATOM 91 N LYS A 7 -19.812 2.987 5.094 1.00 0.00 N ATOM 92 CA LYS A 7 -18.653 2.111 5.215 1.00 0.00 C ATOM 93 C LYS A 7 -18.793 0.893 4.311 1.00 0.00 C ATOM 94 O LYS A 7 -19.250 -0.169 4.741 1.00 0.00 O ATOM 95 CB LYS A 7 -18.468 1.662 6.665 1.00 0.00 C ATOM 96 CG LYS A 7 -18.300 2.802 7.644 1.00 0.00 C ATOM 97 CD LYS A 7 -17.032 3.588 7.379 1.00 0.00 C ATOM 98 CE LYS A 7 -16.895 4.725 8.367 1.00 0.00 C ATOM 99 NZ LYS A 7 -17.870 5.816 8.101 1.00 0.00 N ATOM 0 H LYS A 7 -20.480 2.907 5.861 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.774 2.676 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.330 1.065 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.594 1.013 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.161 3.468 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.278 2.408 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.167 2.929 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.047 3.982 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.042 4.346 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.882 5.125 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.655 6.630 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.805 6.104 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -18.833 5.478 8.302 1.00 0.00 H new ATOM 113 N ASN A 8 -18.398 1.058 3.058 1.00 0.00 N ATOM 114 CA ASN A 8 -18.434 -0.032 2.093 1.00 0.00 C ATOM 115 C ASN A 8 -17.420 0.208 0.981 1.00 0.00 C ATOM 116 O ASN A 8 -16.628 -0.669 0.643 1.00 0.00 O ATOM 117 CB ASN A 8 -19.836 -0.180 1.492 1.00 0.00 C ATOM 118 CG ASN A 8 -19.950 -1.386 0.578 1.00 0.00 C ATOM 119 OD1 ASN A 8 -19.303 -2.412 0.796 1.00 0.00 O ATOM 120 ND2 ASN A 8 -20.768 -1.271 -0.455 1.00 0.00 N ATOM 0 H ASN A 8 -18.047 1.940 2.684 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.178 -0.954 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.566 -0.267 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.085 0.721 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.881 -2.049 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.286 -0.405 -0.601 1.00 0.00 H new ATOM 127 N SER A 9 -17.423 1.422 0.446 1.00 0.00 N ATOM 128 CA SER A 9 -16.573 1.772 -0.685 1.00 0.00 C ATOM 129 C SER A 9 -15.104 1.876 -0.288 1.00 0.00 C ATOM 130 O SER A 9 -14.233 2.048 -1.145 1.00 0.00 O ATOM 131 CB SER A 9 -17.048 3.091 -1.296 1.00 0.00 C ATOM 132 OG SER A 9 -18.440 3.049 -1.578 1.00 0.00 O ATOM 0 H SER A 9 -18.010 2.187 0.780 1.00 0.00 H new ATOM 0 HA SER A 9 -16.653 0.973 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.837 3.911 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.493 3.292 -2.213 1.00 0.00 H new ATOM 0 HG SER A 9 -18.721 3.904 -1.966 1.00 0.00 H new ATOM 138 N TRP A 10 -14.823 1.764 1.002 1.00 0.00 N ATOM 139 CA TRP A 10 -13.453 1.832 1.475 1.00 0.00 C ATOM 140 C TRP A 10 -12.640 0.647 1.001 1.00 0.00 C ATOM 141 O TRP A 10 -11.455 0.759 0.822 1.00 0.00 O ATOM 142 CB TRP A 10 -13.369 1.863 2.989 1.00 0.00 C ATOM 143 CG TRP A 10 -14.054 0.732 3.641 1.00 0.00 C ATOM 144 CD1 TRP A 10 -15.359 0.609 3.987 1.00 0.00 C ATOM 145 CD2 TRP A 10 -13.414 -0.442 4.025 1.00 0.00 C ATOM 146 NE1 TRP A 10 -15.554 -0.604 4.612 1.00 0.00 N ATOM 147 CE2 TRP A 10 -14.351 -1.268 4.642 1.00 0.00 C ATOM 148 CE3 TRP A 10 -12.113 -0.850 3.896 1.00 0.00 C ATOM 149 CZ2 TRP A 10 -13.999 -2.510 5.147 1.00 0.00 C ATOM 150 CZ3 TRP A 10 -11.758 -2.061 4.382 1.00 0.00 C ATOM 151 CH2 TRP A 10 -12.691 -2.891 5.011 1.00 0.00 C ATOM 0 H TRP A 10 -15.521 1.627 1.733 1.00 0.00 H new ATOM 0 HA TRP A 10 -13.051 2.758 1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -12.320 1.862 3.287 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -13.802 2.796 3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -16.126 1.346 3.802 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -16.438 -0.949 4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -11.383 -0.216 3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -14.725 -3.149 5.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -10.735 -2.393 4.282 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -12.374 -3.849 5.396 1.00 0.00 H new ATOM 162 N LYS A 11 -13.259 -0.499 0.831 1.00 0.00 N ATOM 163 CA LYS A 11 -12.516 -1.688 0.430 1.00 0.00 C ATOM 164 C LYS A 11 -11.797 -1.444 -0.891 1.00 0.00 C ATOM 165 O LYS A 11 -10.682 -1.914 -1.117 1.00 0.00 O ATOM 166 CB LYS A 11 -13.460 -2.858 0.300 1.00 0.00 C ATOM 167 CG LYS A 11 -13.773 -3.544 1.618 1.00 0.00 C ATOM 168 CD LYS A 11 -15.005 -4.432 1.524 1.00 0.00 C ATOM 169 CE LYS A 11 -16.260 -3.609 1.277 1.00 0.00 C ATOM 170 NZ LYS A 11 -17.501 -4.414 1.413 1.00 0.00 N ATOM 0 H LYS A 11 -14.261 -0.640 0.960 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.770 -1.913 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.391 -2.513 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.027 -3.588 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.917 -4.144 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.928 -2.791 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.876 -5.153 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.117 -5.002 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.290 -2.778 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.218 -3.178 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.329 -3.786 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.552 -5.107 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.492 -4.914 2.325 1.00 0.00 H new ATOM 184 N THR A 12 -12.453 -0.671 -1.725 1.00 0.00 N ATOM 185 CA THR A 12 -11.915 -0.213 -2.989 1.00 0.00 C ATOM 186 C THR A 12 -10.711 0.720 -2.763 1.00 0.00 C ATOM 187 O THR A 12 -9.791 0.799 -3.581 1.00 0.00 O ATOM 188 CB THR A 12 -13.065 0.490 -3.735 1.00 0.00 C ATOM 189 OG1 THR A 12 -13.774 -0.456 -4.546 1.00 0.00 O ATOM 190 CG2 THR A 12 -12.611 1.672 -4.576 1.00 0.00 C ATOM 0 H THR A 12 -13.398 -0.334 -1.541 1.00 0.00 H new ATOM 0 HA THR A 12 -11.540 -1.045 -3.586 1.00 0.00 H new ATOM 0 HB THR A 12 -13.728 0.897 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.504 -0.002 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.473 2.118 -5.072 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.137 2.415 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.897 1.332 -5.326 1.00 0.00 H new ATOM 198 N LEU A 13 -10.727 1.396 -1.624 1.00 0.00 N ATOM 199 CA LEU A 13 -9.623 2.238 -1.169 1.00 0.00 C ATOM 200 C LEU A 13 -8.576 1.383 -0.478 1.00 0.00 C ATOM 201 O LEU A 13 -7.384 1.676 -0.495 1.00 0.00 O ATOM 202 CB LEU A 13 -10.166 3.285 -0.171 1.00 0.00 C ATOM 203 CG LEU A 13 -9.426 3.392 1.174 1.00 0.00 C ATOM 204 CD1 LEU A 13 -9.032 4.834 1.448 1.00 0.00 C ATOM 205 CD2 LEU A 13 -10.278 2.852 2.329 1.00 0.00 C ATOM 0 H LEU A 13 -11.517 1.377 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.171 2.739 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.142 4.262 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.212 3.055 0.031 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.526 2.781 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.510 4.893 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.376 5.189 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.927 5.455 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.724 2.943 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.203 3.425 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.514 1.803 2.148 1.00 0.00 H new ATOM 217 N TYR A 14 -9.050 0.307 0.104 1.00 0.00 N ATOM 218 CA TYR A 14 -8.293 -0.450 1.063 1.00 0.00 C ATOM 219 C TYR A 14 -7.268 -1.352 0.408 1.00 0.00 C ATOM 220 O TYR A 14 -6.129 -1.421 0.849 1.00 0.00 O ATOM 221 CB TYR A 14 -9.234 -1.281 1.916 1.00 0.00 C ATOM 222 CG TYR A 14 -8.512 -1.953 3.031 1.00 0.00 C ATOM 223 CD1 TYR A 14 -7.995 -3.220 2.862 1.00 0.00 C ATOM 224 CD2 TYR A 14 -8.291 -1.291 4.222 1.00 0.00 C ATOM 225 CE1 TYR A 14 -7.267 -3.827 3.849 1.00 0.00 C ATOM 226 CE2 TYR A 14 -7.569 -1.890 5.232 1.00 0.00 C ATOM 227 CZ TYR A 14 -7.050 -3.162 5.039 1.00 0.00 C ATOM 228 OH TYR A 14 -6.310 -3.765 6.033 1.00 0.00 O ATOM 0 H TYR A 14 -9.981 -0.068 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.750 0.262 1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.018 -0.642 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.724 -2.031 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.168 -3.743 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.687 -0.296 4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.866 -4.818 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.409 -1.373 6.167 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.249 -3.165 6.805 1.00 0.00 H new ATOM 238 N LEU A 15 -7.667 -2.044 -0.636 1.00 0.00 N ATOM 239 CA LEU A 15 -6.765 -2.956 -1.307 1.00 0.00 C ATOM 240 C LEU A 15 -5.784 -2.148 -2.138 1.00 0.00 C ATOM 241 O LEU A 15 -4.771 -2.655 -2.622 1.00 0.00 O ATOM 242 CB LEU A 15 -7.545 -3.943 -2.159 1.00 0.00 C ATOM 243 CG LEU A 15 -8.693 -4.631 -1.432 1.00 0.00 C ATOM 244 CD1 LEU A 15 -9.554 -5.409 -2.412 1.00 0.00 C ATOM 245 CD2 LEU A 15 -8.158 -5.550 -0.345 1.00 0.00 C ATOM 0 H LEU A 15 -8.603 -1.994 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.207 -3.539 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.943 -3.419 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.859 -4.704 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.312 -3.866 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.369 -5.894 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.965 -4.727 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.947 -6.165 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.991 -6.034 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.517 -6.309 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.582 -4.967 0.374 1.00 0.00 H new ATOM 257 N LYS A 16 -6.112 -0.873 -2.279 1.00 0.00 N ATOM 258 CA LYS A 16 -5.222 0.114 -2.833 1.00 0.00 C ATOM 259 C LYS A 16 -4.216 0.495 -1.749 1.00 0.00 C ATOM 260 O LYS A 16 -3.019 0.636 -2.001 1.00 0.00 O ATOM 261 CB LYS A 16 -6.063 1.317 -3.293 1.00 0.00 C ATOM 262 CG LYS A 16 -5.270 2.545 -3.689 1.00 0.00 C ATOM 263 CD LYS A 16 -4.938 3.376 -2.465 1.00 0.00 C ATOM 264 CE LYS A 16 -4.277 4.690 -2.840 1.00 0.00 C ATOM 265 NZ LYS A 16 -5.187 5.565 -3.625 1.00 0.00 N ATOM 0 H LYS A 16 -7.020 -0.497 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.673 -0.262 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.674 1.009 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.748 1.590 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.351 2.246 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.843 3.143 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.850 3.575 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.276 2.810 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.965 5.210 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.376 4.490 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.807 6.533 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.263 5.204 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.129 5.572 -3.184 1.00 0.00 H new ATOM 279 N ILE A 17 -4.733 0.635 -0.530 1.00 0.00 N ATOM 280 CA ILE A 17 -3.930 0.909 0.644 1.00 0.00 C ATOM 281 C ILE A 17 -2.947 -0.230 0.899 1.00 0.00 C ATOM 282 O ILE A 17 -1.763 -0.003 1.155 1.00 0.00 O ATOM 283 CB ILE A 17 -4.852 1.118 1.872 1.00 0.00 C ATOM 284 CG1 ILE A 17 -5.359 2.561 1.908 1.00 0.00 C ATOM 285 CG2 ILE A 17 -4.161 0.746 3.173 1.00 0.00 C ATOM 286 CD1 ILE A 17 -6.316 2.839 3.046 1.00 0.00 C ATOM 0 H ILE A 17 -5.731 0.559 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.355 1.820 0.475 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.706 0.448 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.506 3.235 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.855 2.787 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.844 0.908 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.868 -0.304 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.274 1.366 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.634 3.881 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.187 2.191 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.818 2.646 3.996 1.00 0.00 H new ATOM 298 N SER A 18 -3.445 -1.454 0.802 1.00 0.00 N ATOM 299 CA SER A 18 -2.621 -2.640 0.976 1.00 0.00 C ATOM 300 C SER A 18 -1.562 -2.723 -0.118 1.00 0.00 C ATOM 301 O SER A 18 -0.516 -3.350 0.057 1.00 0.00 O ATOM 302 CB SER A 18 -3.496 -3.893 0.933 1.00 0.00 C ATOM 303 OG SER A 18 -4.590 -3.785 1.828 1.00 0.00 O ATOM 0 H SER A 18 -4.425 -1.652 0.602 1.00 0.00 H new ATOM 0 HA SER A 18 -2.124 -2.574 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.866 -4.047 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.897 -4.767 1.190 1.00 0.00 H new ATOM 0 HG SER A 18 -5.231 -3.129 1.483 1.00 0.00 H new ATOM 309 N PHE A 19 -1.839 -2.077 -1.239 1.00 0.00 N ATOM 310 CA PHE A 19 -0.967 -2.143 -2.397 1.00 0.00 C ATOM 311 C PHE A 19 0.140 -1.096 -2.311 1.00 0.00 C ATOM 312 O PHE A 19 1.322 -1.434 -2.283 1.00 0.00 O ATOM 313 CB PHE A 19 -1.788 -1.942 -3.669 1.00 0.00 C ATOM 314 CG PHE A 19 -1.062 -2.313 -4.924 1.00 0.00 C ATOM 315 CD1 PHE A 19 -1.237 -3.563 -5.487 1.00 0.00 C ATOM 316 CD2 PHE A 19 -0.212 -1.413 -5.542 1.00 0.00 C ATOM 317 CE1 PHE A 19 -0.578 -3.911 -6.649 1.00 0.00 C ATOM 318 CE2 PHE A 19 0.451 -1.754 -6.703 1.00 0.00 C ATOM 319 CZ PHE A 19 0.267 -3.005 -7.259 1.00 0.00 C ATOM 0 H PHE A 19 -2.668 -1.497 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.497 -3.126 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.699 -2.536 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.092 -0.897 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.896 -4.275 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.066 -0.433 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.723 -4.890 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.113 -1.044 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.783 -3.274 -8.169 1.00 0.00 H new ATOM 329 N LEU A 20 -0.244 0.173 -2.259 1.00 0.00 N ATOM 330 CA LEU A 20 0.729 1.256 -2.232 1.00 0.00 C ATOM 331 C LEU A 20 1.475 1.296 -0.912 1.00 0.00 C ATOM 332 O LEU A 20 2.649 1.640 -0.877 1.00 0.00 O ATOM 333 CB LEU A 20 0.069 2.605 -2.509 1.00 0.00 C ATOM 334 CG LEU A 20 -0.211 2.888 -3.983 1.00 0.00 C ATOM 335 CD1 LEU A 20 -1.309 1.982 -4.503 1.00 0.00 C ATOM 336 CD2 LEU A 20 -0.569 4.351 -4.189 1.00 0.00 C ATOM 0 H LEU A 20 -1.218 0.476 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 20 1.450 1.059 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.871 2.654 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.710 3.395 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 20 0.695 2.679 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.493 2.200 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.003 0.941 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.222 2.152 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.765 4.532 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.459 4.593 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.260 4.978 -3.861 1.00 0.00 H new ATOM 348 N GLY A 21 0.806 0.925 0.172 1.00 0.00 N ATOM 349 CA GLY A 21 1.481 0.841 1.454 1.00 0.00 C ATOM 350 C GLY A 21 2.522 -0.263 1.465 1.00 0.00 C ATOM 351 O GLY A 21 3.389 -0.313 2.339 1.00 0.00 O ATOM 0 H GLY A 21 -0.185 0.682 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.959 1.795 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.749 0.659 2.240 1.00 0.00 H new ATOM 355 N CYS A 22 2.431 -1.145 0.479 1.00 0.00 N ATOM 356 CA CYS A 22 3.389 -2.221 0.307 1.00 0.00 C ATOM 357 C CYS A 22 4.556 -1.751 -0.557 1.00 0.00 C ATOM 358 O CYS A 22 5.666 -2.266 -0.450 1.00 0.00 O ATOM 359 CB CYS A 22 2.705 -3.433 -0.335 1.00 0.00 C ATOM 360 SG CYS A 22 3.752 -4.899 -0.483 1.00 0.00 S ATOM 0 H CYS A 22 1.690 -1.132 -0.222 1.00 0.00 H new ATOM 0 HA CYS A 22 3.775 -2.513 1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.824 -3.690 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.354 -3.152 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 22 4.999 -4.537 -0.541 1.00 0.00 H new ATOM 366 N LYS A 23 4.303 -0.769 -1.417 1.00 0.00 N ATOM 367 CA LYS A 23 5.359 -0.213 -2.254 1.00 0.00 C ATOM 368 C LYS A 23 6.049 0.941 -1.548 1.00 0.00 C ATOM 369 O LYS A 23 7.259 1.128 -1.665 1.00 0.00 O ATOM 370 CB LYS A 23 4.791 0.244 -3.599 1.00 0.00 C ATOM 371 CG LYS A 23 4.113 -0.874 -4.376 1.00 0.00 C ATOM 372 CD LYS A 23 3.554 -0.386 -5.701 1.00 0.00 C ATOM 373 CE LYS A 23 4.653 0.099 -6.634 1.00 0.00 C ATOM 374 NZ LYS A 23 4.122 0.465 -7.974 1.00 0.00 N ATOM 0 H LYS A 23 3.385 -0.346 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 23 6.098 -0.993 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.073 1.046 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.597 0.660 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.829 -1.676 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.307 -1.296 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.000 -1.193 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.847 0.424 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.149 0.963 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.407 -0.681 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.902 0.790 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.671 -0.366 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.421 1.227 -7.873 1.00 0.00 H new ATOM 388 N VAL A 24 5.279 1.693 -0.789 1.00 0.00 N ATOM 389 CA VAL A 24 5.811 2.804 -0.034 1.00 0.00 C ATOM 390 C VAL A 24 6.331 2.311 1.328 1.00 0.00 C ATOM 391 O VAL A 24 6.593 3.077 2.254 1.00 0.00 O ATOM 392 CB VAL A 24 4.743 3.913 0.104 1.00 0.00 C ATOM 393 CG1 VAL A 24 5.238 5.107 0.894 1.00 0.00 C ATOM 394 CG2 VAL A 24 4.298 4.356 -1.278 1.00 0.00 C ATOM 0 H VAL A 24 4.275 1.552 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 24 6.657 3.240 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 24 3.904 3.493 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.447 5.854 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.519 4.788 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.105 5.540 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.545 5.138 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.155 4.742 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.874 3.506 -1.814 1.00 0.00 H new ATOM 404 N VAL A 25 6.478 1.008 1.447 1.00 0.00 N ATOM 405 CA VAL A 25 7.261 0.441 2.529 1.00 0.00 C ATOM 406 C VAL A 25 8.697 0.266 2.041 1.00 0.00 C ATOM 407 O VAL A 25 9.661 0.341 2.808 1.00 0.00 O ATOM 408 CB VAL A 25 6.685 -0.912 2.988 1.00 0.00 C ATOM 409 CG1 VAL A 25 7.227 -2.061 2.151 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.944 -1.144 4.465 1.00 0.00 C ATOM 0 H VAL A 25 6.068 0.323 0.812 1.00 0.00 H new ATOM 0 HA VAL A 25 7.231 1.114 3.386 1.00 0.00 H new ATOM 0 HB VAL A 25 5.606 -0.876 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.800 -3.000 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.958 -1.908 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.312 -2.099 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.526 -2.106 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.018 -1.142 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.474 -0.351 5.046 1.00 0.00 H new ATOM 420 N VAL A 26 8.802 0.080 0.728 1.00 0.00 N ATOM 421 CA VAL A 26 10.055 -0.207 0.059 1.00 0.00 C ATOM 422 C VAL A 26 10.924 1.021 -0.001 1.00 0.00 C ATOM 423 O VAL A 26 12.102 0.998 0.351 1.00 0.00 O ATOM 424 CB VAL A 26 9.794 -0.676 -1.383 1.00 0.00 C ATOM 425 CG1 VAL A 26 11.097 -0.982 -2.103 1.00 0.00 C ATOM 426 CG2 VAL A 26 8.870 -1.883 -1.404 1.00 0.00 C ATOM 0 H VAL A 26 8.004 0.126 0.095 1.00 0.00 H new ATOM 0 HA VAL A 26 10.559 -0.989 0.627 1.00 0.00 H new ATOM 0 HB VAL A 26 9.300 0.138 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.882 -1.311 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.715 -0.084 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.630 -1.770 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.702 -2.194 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.328 -2.701 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.917 -1.620 -0.944 1.00 0.00 H new ATOM 436 N LEU A 27 10.321 2.093 -0.454 1.00 0.00 N ATOM 437 CA LEU A 27 11.030 3.336 -0.675 1.00 0.00 C ATOM 438 C LEU A 27 11.589 3.927 0.637 1.00 0.00 C ATOM 439 O LEU A 27 12.497 4.756 0.608 1.00 0.00 O ATOM 440 CB LEU A 27 10.147 4.325 -1.478 1.00 0.00 C ATOM 441 CG LEU A 27 9.016 5.066 -0.753 1.00 0.00 C ATOM 442 CD1 LEU A 27 7.840 5.257 -1.695 1.00 0.00 C ATOM 443 CD2 LEU A 27 8.572 4.337 0.485 1.00 0.00 C ATOM 0 H LEU A 27 9.327 2.132 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 27 11.909 3.131 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.806 5.076 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.702 3.772 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 27 9.400 6.038 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.039 5.784 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.157 5.841 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.478 4.284 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.770 4.895 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.211 3.345 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.413 4.241 1.172 1.00 0.00 H new ATOM 455 N LEU A 28 11.059 3.473 1.784 1.00 0.00 N ATOM 456 CA LEU A 28 11.574 3.904 3.084 1.00 0.00 C ATOM 457 C LEU A 28 12.578 2.894 3.600 1.00 0.00 C ATOM 458 O LEU A 28 13.434 3.211 4.428 1.00 0.00 O ATOM 459 CB LEU A 28 10.458 4.037 4.128 1.00 0.00 C ATOM 460 CG LEU A 28 9.286 4.932 3.744 1.00 0.00 C ATOM 461 CD1 LEU A 28 8.278 4.998 4.878 1.00 0.00 C ATOM 462 CD2 LEU A 28 9.768 6.327 3.372 1.00 0.00 C ATOM 0 H LEU A 28 10.282 2.814 1.833 1.00 0.00 H new ATOM 0 HA LEU A 28 12.038 4.879 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.072 3.041 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.895 4.420 5.050 1.00 0.00 H new ATOM 0 HG LEU A 28 8.797 4.500 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.447 5.641 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.905 3.996 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.758 5.404 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.913 6.947 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.285 6.772 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.451 6.262 2.525 1.00 0.00 H new ATOM 474 N LYS A 29 12.435 1.670 3.096 1.00 0.00 N ATOM 475 CA LYS A 29 13.239 0.529 3.528 1.00 0.00 C ATOM 476 C LYS A 29 12.886 0.165 4.966 1.00 0.00 C ATOM 477 O LYS A 29 13.739 -0.285 5.730 1.00 0.00 O ATOM 478 CB LYS A 29 14.742 0.817 3.397 1.00 0.00 C ATOM 479 CG LYS A 29 15.204 1.069 1.968 1.00 0.00 C ATOM 480 CD LYS A 29 15.073 -0.171 1.092 1.00 0.00 C ATOM 481 CE LYS A 29 16.013 -1.284 1.535 1.00 0.00 C ATOM 482 NZ LYS A 29 15.899 -2.483 0.665 1.00 0.00 N ATOM 0 H LYS A 29 11.754 1.441 2.372 1.00 0.00 H new ATOM 0 HA LYS A 29 13.011 -0.315 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.989 1.687 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.300 -0.026 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.617 1.880 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.243 1.397 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.045 -0.531 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.286 0.093 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.040 -0.920 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.789 -1.560 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.555 -3.218 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.925 -2.846 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.138 -2.226 -0.314 1.00 0.00 H new ATOM 496 N ARG A 30 11.605 0.345 5.299 1.00 0.00 N ATOM 497 CA ARG A 30 11.089 0.114 6.648 1.00 0.00 C ATOM 498 C ARG A 30 11.756 1.034 7.665 1.00 0.00 C ATOM 499 O ARG A 30 11.203 2.119 7.930 1.00 0.00 O ATOM 500 CB ARG A 30 11.250 -1.349 7.069 1.00 0.00 C ATOM 501 CG ARG A 30 10.175 -2.277 6.521 1.00 0.00 C ATOM 502 CD ARG A 30 10.432 -2.658 5.073 1.00 0.00 C ATOM 503 NE ARG A 30 11.616 -3.504 4.938 1.00 0.00 N ATOM 504 CZ ARG A 30 11.618 -4.707 4.362 1.00 0.00 C ATOM 505 NH1 ARG A 30 10.491 -5.236 3.898 1.00 0.00 N ATOM 506 NH2 ARG A 30 12.749 -5.396 4.276 1.00 0.00 N ATOM 507 OXT ARG A 30 12.821 0.668 8.206 1.00 0.00 O ATOM 0 H ARG A 30 10.895 0.656 4.636 1.00 0.00 H new ATOM 0 HA ARG A 30 10.024 0.345 6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.225 -1.706 6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.243 -1.405 8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.131 -3.180 7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.203 -1.791 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.563 -3.182 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.560 -1.755 4.476 1.00 0.00 H new ATOM 0 HE ARG A 30 12.499 -3.151 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.614 -4.721 3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.503 -6.157 3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.614 -5.005 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.753 -6.316 3.836 1.00 0.00 H new TER 521 ARG A 30