USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 717 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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.81) USER MOD Set 2.1: A 57 ASN : amide:sc= -2.48! C(o=-2.5!,f=-8.6!) USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0612) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= -0.261 (180deg=-1.31!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.18) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.922 X(o=-0.92,f=-0.66) USER MOD Single : A 33 THR OG1 : rot -23:sc= 0.208 USER MOD Single : A 34 THR OG1 : rot 160:sc= -0.0515 USER MOD Single : A 41 SER OG : rot -43:sc= 0.287 USER MOD Single : A 46 HIS : no HE2:sc= -0.0705 K(o=-0.071,f=-7.1!) USER MOD Single : A 51 ASN : amide:sc=-0.00444 X(o=-0.0044,f=-0.44) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -130:sc= -0.623 USER MOD Single : A 73 GLN : amide:sc= -0.785 X(o=-0.79,f=-0.64) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0371 F(o=-0.8,f=-0.037) USER MOD Single : A 82 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.172 19.798 25.974 1.00 0.00 N ATOM 2 CA MET A 1 1.643 21.170 25.820 1.00 0.00 C ATOM 3 C MET A 1 2.474 21.320 24.527 1.00 0.00 C ATOM 4 O MET A 1 2.383 22.342 23.845 1.00 0.00 O ATOM 5 CB MET A 1 2.469 21.604 27.048 1.00 0.00 C ATOM 6 CG MET A 1 2.147 23.020 27.551 1.00 0.00 C ATOM 7 SD MET A 1 2.343 23.212 29.351 1.00 0.00 S ATOM 8 CE MET A 1 0.623 23.020 29.903 1.00 0.00 C ATOM 0 H1 MET A 1 0.533 19.740 26.792 1.00 0.00 H new ATOM 0 H2 MET A 1 0.662 19.508 25.115 1.00 0.00 H new ATOM 0 H3 MET A 1 1.985 19.167 26.124 1.00 0.00 H new ATOM 0 HA MET A 1 0.772 21.822 25.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.297 20.894 27.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.528 21.551 26.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.797 23.734 27.044 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.122 23.271 27.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.577 23.113 30.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.006 23.794 29.446 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.253 22.038 29.606 1.00 0.00 H new ATOM 19 N LYS A 2 3.282 20.295 24.193 1.00 0.00 N ATOM 20 CA LYS A 2 4.032 20.172 22.935 1.00 0.00 C ATOM 21 C LYS A 2 3.812 18.777 22.309 1.00 0.00 C ATOM 22 O LYS A 2 4.678 18.275 21.591 1.00 0.00 O ATOM 23 CB LYS A 2 5.529 20.449 23.192 1.00 0.00 C ATOM 24 CG LYS A 2 5.990 21.789 22.593 1.00 0.00 C ATOM 25 CD LYS A 2 7.382 22.206 23.087 1.00 0.00 C ATOM 26 CE LYS A 2 7.509 23.736 23.057 1.00 0.00 C ATOM 27 NZ LYS A 2 6.472 24.392 23.873 1.00 0.00 N ATOM 0 H LYS A 2 3.434 19.503 24.817 1.00 0.00 H new ATOM 0 HA LYS A 2 3.666 20.911 22.222 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.716 20.451 24.266 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.123 19.640 22.766 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.002 21.712 21.506 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.269 22.565 22.850 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.543 21.839 24.100 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.151 21.756 22.459 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.494 24.025 23.422 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.435 24.086 22.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.863 25.255 24.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.662 24.641 23.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.158 23.743 24.623 1.00 0.00 H new ATOM 41 N LYS A 3 2.650 18.155 22.588 1.00 0.00 N ATOM 42 CA LYS A 3 2.332 16.755 22.272 1.00 0.00 C ATOM 43 C LYS A 3 0.824 16.596 21.977 1.00 0.00 C ATOM 44 O LYS A 3 0.111 17.591 21.836 1.00 0.00 O ATOM 45 CB LYS A 3 2.783 15.843 23.433 1.00 0.00 C ATOM 46 CG LYS A 3 4.311 15.673 23.488 1.00 0.00 C ATOM 47 CD LYS A 3 4.737 14.439 24.294 1.00 0.00 C ATOM 48 CE LYS A 3 6.119 13.960 23.825 1.00 0.00 C ATOM 49 NZ LYS A 3 7.204 14.509 24.657 1.00 0.00 N ATOM 0 H LYS A 3 1.881 18.634 23.057 1.00 0.00 H new ATOM 0 HA LYS A 3 2.873 16.456 21.374 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.433 16.261 24.377 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.315 14.864 23.325 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.701 15.592 22.473 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.757 16.564 23.931 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.767 14.681 25.356 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.004 13.642 24.169 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.155 12.871 23.855 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.273 14.256 22.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.120 14.161 24.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.187 15.548 24.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.073 14.206 25.643 1.00 0.00 H new ATOM 63 N ALA A 4 0.343 15.341 21.895 1.00 0.00 N ATOM 64 CA ALA A 4 -1.079 14.972 21.846 1.00 0.00 C ATOM 65 C ALA A 4 -1.256 13.445 21.695 1.00 0.00 C ATOM 66 O ALA A 4 -0.368 12.677 22.068 1.00 0.00 O ATOM 67 CB ALA A 4 -1.768 15.712 20.688 1.00 0.00 C ATOM 0 H ALA A 4 0.959 14.529 21.860 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.544 15.267 22.787 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.822 15.436 20.655 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.680 16.788 20.840 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.292 15.438 19.747 1.00 0.00 H new ATOM 73 N THR A 5 -2.411 13.011 21.156 1.00 0.00 N ATOM 74 CA THR A 5 -2.767 11.606 20.914 1.00 0.00 C ATOM 75 C THR A 5 -1.625 10.893 20.158 1.00 0.00 C ATOM 76 O THR A 5 -0.788 11.548 19.535 1.00 0.00 O ATOM 77 CB THR A 5 -4.103 11.528 20.137 1.00 0.00 C ATOM 78 OG1 THR A 5 -3.924 11.999 18.814 1.00 0.00 O ATOM 79 CG2 THR A 5 -5.227 12.350 20.790 1.00 0.00 C ATOM 0 H THR A 5 -3.147 13.656 20.868 1.00 0.00 H new ATOM 0 HA THR A 5 -2.904 11.095 21.867 1.00 0.00 H new ATOM 0 HB THR A 5 -4.399 10.479 20.146 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.774 11.944 18.329 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.138 12.255 20.199 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.409 11.980 21.799 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.932 13.398 20.836 1.00 0.00 H new ATOM 87 N CYS A 6 -1.605 9.547 20.204 1.00 0.00 N ATOM 88 CA CYS A 6 -0.526 8.689 19.693 1.00 0.00 C ATOM 89 C CYS A 6 -0.908 8.108 18.314 1.00 0.00 C ATOM 90 O CYS A 6 -1.023 6.891 18.161 1.00 0.00 O ATOM 91 CB CYS A 6 -0.224 7.572 20.712 1.00 0.00 C ATOM 92 SG CYS A 6 0.971 8.116 21.969 1.00 0.00 S ATOM 0 H CYS A 6 -2.370 9.010 20.614 1.00 0.00 H new ATOM 0 HA CYS A 6 0.378 9.284 19.560 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.149 7.263 21.199 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.168 6.699 20.190 1.00 0.00 H new ATOM 0 HG CYS A 6 1.193 7.146 22.805 1.00 0.00 H new ATOM 98 N LEU A 7 -1.096 8.986 17.306 1.00 0.00 N ATOM 99 CA LEU A 7 -1.306 8.655 15.889 1.00 0.00 C ATOM 100 C LEU A 7 0.042 8.570 15.136 1.00 0.00 C ATOM 101 O LEU A 7 0.088 8.679 13.911 1.00 0.00 O ATOM 102 CB LEU A 7 -2.204 9.722 15.229 1.00 0.00 C ATOM 103 CG LEU A 7 -3.715 9.596 15.521 1.00 0.00 C ATOM 104 CD1 LEU A 7 -4.367 8.717 14.442 1.00 0.00 C ATOM 105 CD2 LEU A 7 -3.991 8.981 16.903 1.00 0.00 C ATOM 0 H LEU A 7 -1.105 9.993 17.471 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.794 7.682 15.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.870 10.706 15.557 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.056 9.679 14.150 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.138 10.601 15.512 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.434 8.625 14.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.221 9.174 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.909 7.728 14.453 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.067 8.913 17.063 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.553 7.984 16.952 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.549 9.610 17.676 1.00 0.00 H new ATOM 117 N THR A 8 1.141 8.392 15.901 1.00 0.00 N ATOM 118 CA THR A 8 2.532 8.372 15.431 1.00 0.00 C ATOM 119 C THR A 8 2.739 7.263 14.376 1.00 0.00 C ATOM 120 O THR A 8 1.910 6.361 14.248 1.00 0.00 O ATOM 121 CB THR A 8 3.494 8.190 16.632 1.00 0.00 C ATOM 122 OG1 THR A 8 3.034 8.928 17.749 1.00 0.00 O ATOM 123 CG2 THR A 8 4.932 8.642 16.326 1.00 0.00 C ATOM 0 H THR A 8 1.073 8.252 16.909 1.00 0.00 H new ATOM 0 HA THR A 8 2.755 9.326 14.953 1.00 0.00 H new ATOM 0 HB THR A 8 3.506 7.121 16.844 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.650 8.802 18.500 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.556 8.489 17.206 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.328 8.059 15.495 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.932 9.699 16.060 1.00 0.00 H new ATOM 131 N ASP A 9 3.863 7.326 13.634 1.00 0.00 N ATOM 132 CA ASP A 9 4.172 6.470 12.481 1.00 0.00 C ATOM 133 C ASP A 9 4.358 4.998 12.908 1.00 0.00 C ATOM 134 O ASP A 9 4.101 4.085 12.121 1.00 0.00 O ATOM 135 CB ASP A 9 5.426 7.006 11.759 1.00 0.00 C ATOM 136 CG ASP A 9 5.231 8.410 11.172 1.00 0.00 C ATOM 137 OD1 ASP A 9 4.380 9.150 11.714 1.00 0.00 O ATOM 138 OD2 ASP A 9 5.939 8.723 10.190 1.00 0.00 O ATOM 0 H ASP A 9 4.603 7.999 13.832 1.00 0.00 H new ATOM 0 HA ASP A 9 3.330 6.497 11.789 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.261 7.025 12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.698 6.319 10.958 1.00 0.00 H new ATOM 143 N ASP A 10 4.796 4.773 14.162 1.00 0.00 N ATOM 144 CA ASP A 10 4.819 3.466 14.836 1.00 0.00 C ATOM 145 C ASP A 10 3.522 2.678 14.564 1.00 0.00 C ATOM 146 O ASP A 10 3.513 1.698 13.811 1.00 0.00 O ATOM 147 CB ASP A 10 5.049 3.681 16.350 1.00 0.00 C ATOM 148 CG ASP A 10 6.439 4.231 16.688 1.00 0.00 C ATOM 149 OD1 ASP A 10 7.148 4.631 15.738 1.00 0.00 O ATOM 150 OD2 ASP A 10 6.769 4.250 17.894 1.00 0.00 O ATOM 0 H ASP A 10 5.155 5.524 14.751 1.00 0.00 H new ATOM 0 HA ASP A 10 5.639 2.868 14.437 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.293 4.369 16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.907 2.733 16.869 1.00 0.00 H new ATOM 155 N GLN A 11 2.404 3.103 15.190 1.00 0.00 N ATOM 156 CA GLN A 11 1.135 2.361 15.210 1.00 0.00 C ATOM 157 C GLN A 11 0.426 2.461 13.843 1.00 0.00 C ATOM 158 O GLN A 11 -0.363 1.585 13.489 1.00 0.00 O ATOM 159 CB GLN A 11 0.241 2.909 16.343 1.00 0.00 C ATOM 160 CG GLN A 11 -0.480 1.808 17.143 1.00 0.00 C ATOM 161 CD GLN A 11 -0.614 2.089 18.647 1.00 0.00 C ATOM 162 OE1 GLN A 11 0.385 2.070 19.364 1.00 0.00 O ATOM 163 NE2 GLN A 11 -1.829 2.341 19.143 1.00 0.00 N ATOM 0 H GLN A 11 2.362 3.984 15.702 1.00 0.00 H new ATOM 0 HA GLN A 11 1.335 1.306 15.399 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.853 3.501 17.024 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.502 3.582 15.916 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.476 1.667 16.724 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.058 0.870 17.009 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.640 2.350 18.525 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.945 2.524 20.140 1.00 0.00 H new ATOM 172 N ARG A 12 0.732 3.516 13.065 1.00 0.00 N ATOM 173 CA ARG A 12 0.504 3.593 11.613 1.00 0.00 C ATOM 174 C ARG A 12 0.838 2.245 10.941 1.00 0.00 C ATOM 175 O ARG A 12 -0.005 1.577 10.340 1.00 0.00 O ATOM 176 CB ARG A 12 1.355 4.743 11.031 1.00 0.00 C ATOM 177 CG ARG A 12 0.476 5.916 10.554 1.00 0.00 C ATOM 178 CD ARG A 12 0.354 7.008 11.624 1.00 0.00 C ATOM 179 NE ARG A 12 -0.869 7.802 11.422 1.00 0.00 N ATOM 180 CZ ARG A 12 -2.125 7.321 11.416 1.00 0.00 C ATOM 181 NH1 ARG A 12 -2.387 6.041 11.722 1.00 0.00 N ATOM 182 NH2 ARG A 12 -3.139 8.138 11.093 1.00 0.00 N ATOM 0 H ARG A 12 1.157 4.363 13.442 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.548 3.800 11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.055 5.097 11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.949 4.370 10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.901 6.343 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.517 5.546 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.338 6.553 12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.227 7.660 11.586 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.754 8.805 11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.625 5.409 11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.348 5.700 11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.953 9.112 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.096 7.785 11.085 1.00 0.00 H new ATOM 196 N TRP A 13 2.120 1.818 11.101 1.00 0.00 N ATOM 197 CA TRP A 13 2.601 0.515 10.629 1.00 0.00 C ATOM 198 C TRP A 13 2.055 -0.649 11.482 1.00 0.00 C ATOM 199 O TRP A 13 2.073 -1.798 11.015 1.00 0.00 O ATOM 200 CB TRP A 13 4.147 0.465 10.576 1.00 0.00 C ATOM 201 CG TRP A 13 4.660 -0.633 9.678 1.00 0.00 C ATOM 202 CD1 TRP A 13 5.422 -1.689 10.040 1.00 0.00 C ATOM 203 CD2 TRP A 13 4.358 -0.828 8.259 1.00 0.00 C ATOM 204 NE1 TRP A 13 5.603 -2.534 8.965 1.00 0.00 N ATOM 205 CE2 TRP A 13 4.961 -2.058 7.840 1.00 0.00 C ATOM 206 CE3 TRP A 13 3.629 -0.102 7.285 1.00 0.00 C ATOM 207 CZ2 TRP A 13 4.813 -2.554 6.532 1.00 0.00 C ATOM 208 CZ3 TRP A 13 3.548 -0.550 5.945 1.00 0.00 C ATOM 209 CH2 TRP A 13 4.144 -1.771 5.568 1.00 0.00 C ATOM 0 H TRP A 13 2.839 2.376 11.562 1.00 0.00 H new ATOM 0 HA TRP A 13 2.219 0.393 9.616 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.526 1.424 10.224 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.537 0.318 11.583 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.830 -1.848 11.027 1.00 0.00 H new ATOM 0 HE1 TRP A 13 6.142 -3.399 8.997 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.126 0.810 7.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.207 -3.524 6.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.028 0.045 5.209 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.088 -2.106 4.543 1.00 0.00 H new ATOM 220 N GLN A 14 1.552 -0.383 12.708 1.00 0.00 N ATOM 221 CA GLN A 14 0.833 -1.387 13.519 1.00 0.00 C ATOM 222 C GLN A 14 -0.485 -1.793 12.826 1.00 0.00 C ATOM 223 O GLN A 14 -0.684 -2.972 12.520 1.00 0.00 O ATOM 224 CB GLN A 14 0.584 -0.845 14.942 1.00 0.00 C ATOM 225 CG GLN A 14 1.621 -1.330 15.976 1.00 0.00 C ATOM 226 CD GLN A 14 1.042 -1.747 17.336 1.00 0.00 C ATOM 227 OE1 GLN A 14 0.072 -2.502 17.380 1.00 0.00 O ATOM 228 NE2 GLN A 14 1.617 -1.283 18.451 1.00 0.00 N ATOM 0 H GLN A 14 1.633 0.528 13.160 1.00 0.00 H new ATOM 0 HA GLN A 14 1.449 -2.282 13.607 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.593 0.245 14.914 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.411 -1.147 15.268 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.162 -2.177 15.554 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.349 -0.535 16.137 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.421 -0.658 18.388 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.252 -1.554 19.364 1.00 0.00 H new ATOM 237 N SER A 15 -1.394 -0.826 12.596 1.00 0.00 N ATOM 238 CA SER A 15 -2.694 -1.028 11.928 1.00 0.00 C ATOM 239 C SER A 15 -2.555 -1.436 10.442 1.00 0.00 C ATOM 240 O SER A 15 -3.502 -1.941 9.840 1.00 0.00 O ATOM 241 CB SER A 15 -3.566 0.235 12.070 1.00 0.00 C ATOM 242 OG SER A 15 -4.918 -0.022 11.745 1.00 0.00 O ATOM 0 H SER A 15 -1.240 0.142 12.877 1.00 0.00 H new ATOM 0 HA SER A 15 -3.183 -1.863 12.429 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.502 0.608 13.092 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.178 1.019 11.420 1.00 0.00 H new ATOM 0 HG SER A 15 -5.441 0.800 11.848 1.00 0.00 H new ATOM 248 N VAL A 16 -1.347 -1.221 9.874 1.00 0.00 N ATOM 249 CA VAL A 16 -0.930 -1.692 8.547 1.00 0.00 C ATOM 250 C VAL A 16 -0.326 -3.113 8.624 1.00 0.00 C ATOM 251 O VAL A 16 -0.555 -3.923 7.715 1.00 0.00 O ATOM 252 CB VAL A 16 0.081 -0.694 7.921 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.803 -1.289 6.696 1.00 0.00 C ATOM 254 CG2 VAL A 16 -0.588 0.619 7.476 1.00 0.00 C ATOM 0 H VAL A 16 -0.614 -0.695 10.350 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.811 -1.744 7.907 1.00 0.00 H new ATOM 0 HB VAL A 16 0.800 -0.489 8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.500 -0.555 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.351 -2.183 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.070 -1.551 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.162 1.282 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.353 0.403 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.048 1.103 8.337 1.00 0.00 H new ATOM 264 N LEU A 17 0.457 -3.425 9.674 1.00 0.00 N ATOM 265 CA LEU A 17 1.015 -4.760 9.943 1.00 0.00 C ATOM 266 C LEU A 17 -0.112 -5.757 10.296 1.00 0.00 C ATOM 267 O LEU A 17 -0.076 -6.917 9.883 1.00 0.00 O ATOM 268 CB LEU A 17 2.033 -4.696 11.102 1.00 0.00 C ATOM 269 CG LEU A 17 3.496 -4.436 10.682 1.00 0.00 C ATOM 270 CD1 LEU A 17 4.430 -4.808 11.846 1.00 0.00 C ATOM 271 CD2 LEU A 17 3.896 -5.248 9.439 1.00 0.00 C ATOM 0 H LEU A 17 0.725 -2.736 10.376 1.00 0.00 H new ATOM 0 HA LEU A 17 1.523 -5.103 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.725 -3.910 11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.992 -5.636 11.652 1.00 0.00 H new ATOM 0 HG LEU A 17 3.586 -3.379 10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.465 -4.626 11.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.186 -4.200 12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.302 -5.862 12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.933 -5.032 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.788 -6.312 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.251 -4.976 8.604 1.00 0.00 H new ATOM 283 N ALA A 18 -1.121 -5.278 11.052 1.00 0.00 N ATOM 284 CA ALA A 18 -2.372 -5.975 11.381 1.00 0.00 C ATOM 285 C ALA A 18 -3.217 -6.228 10.113 1.00 0.00 C ATOM 286 O ALA A 18 -4.178 -6.998 10.151 1.00 0.00 O ATOM 287 CB ALA A 18 -3.175 -5.157 12.406 1.00 0.00 C ATOM 0 H ALA A 18 -1.079 -4.348 11.468 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.122 -6.943 11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.101 -5.681 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.585 -5.031 13.314 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.409 -4.178 11.987 1.00 0.00 H new ATOM 293 N ARG A 19 -2.863 -5.553 9.000 1.00 0.00 N ATOM 294 CA ARG A 19 -3.503 -5.673 7.681 1.00 0.00 C ATOM 295 C ARG A 19 -5.035 -5.473 7.806 1.00 0.00 C ATOM 296 O ARG A 19 -5.816 -6.102 7.093 1.00 0.00 O ATOM 297 CB ARG A 19 -3.137 -7.010 7.006 1.00 0.00 C ATOM 298 CG ARG A 19 -2.772 -8.141 7.980 1.00 0.00 C ATOM 299 CD ARG A 19 -2.147 -9.326 7.226 1.00 0.00 C ATOM 300 NE ARG A 19 -3.180 -10.199 6.647 1.00 0.00 N ATOM 301 CZ ARG A 19 -3.924 -11.091 7.329 1.00 0.00 C ATOM 302 NH1 ARG A 19 -3.770 -11.266 8.652 1.00 0.00 N ATOM 303 NH2 ARG A 19 -4.838 -11.822 6.674 1.00 0.00 N ATOM 0 H ARG A 19 -2.093 -4.884 8.999 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.123 -4.884 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.978 -7.334 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.296 -6.843 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.073 -7.771 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.664 -8.472 8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.498 -8.953 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.521 -9.903 7.907 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.347 -10.122 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.078 -10.717 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.345 -11.948 9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.964 -11.700 5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.407 -12.500 7.181 1.00 0.00 H new ATOM 317 N ASP A 20 -5.436 -4.592 8.749 1.00 0.00 N ATOM 318 CA ASP A 20 -6.820 -4.335 9.166 1.00 0.00 C ATOM 319 C ASP A 20 -7.699 -3.948 7.949 1.00 0.00 C ATOM 320 O ASP A 20 -7.634 -2.800 7.507 1.00 0.00 O ATOM 321 CB ASP A 20 -6.829 -3.231 10.247 1.00 0.00 C ATOM 322 CG ASP A 20 -8.230 -2.920 10.786 1.00 0.00 C ATOM 323 OD1 ASP A 20 -8.635 -3.598 11.755 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.875 -2.008 10.221 1.00 0.00 O ATOM 0 H ASP A 20 -4.767 -4.017 9.260 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.246 -5.244 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.189 -3.537 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.398 -2.321 9.830 1.00 0.00 H new ATOM 329 N PRO A 21 -8.490 -4.884 7.368 1.00 0.00 N ATOM 330 CA PRO A 21 -9.098 -4.749 6.034 1.00 0.00 C ATOM 331 C PRO A 21 -10.016 -3.510 5.913 1.00 0.00 C ATOM 332 O PRO A 21 -10.213 -2.978 4.820 1.00 0.00 O ATOM 333 CB PRO A 21 -9.889 -6.044 5.788 1.00 0.00 C ATOM 334 CG PRO A 21 -10.087 -6.639 7.179 1.00 0.00 C ATOM 335 CD PRO A 21 -8.825 -6.192 7.919 1.00 0.00 C ATOM 0 HA PRO A 21 -8.319 -4.600 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.844 -5.840 5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.341 -6.727 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.991 -6.261 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.174 -7.725 7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.001 -6.132 8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.011 -6.901 7.769 1.00 0.00 H new ATOM 343 N ASN A 22 -10.592 -3.073 7.053 1.00 0.00 N ATOM 344 CA ASN A 22 -11.661 -2.072 7.168 1.00 0.00 C ATOM 345 C ASN A 22 -11.079 -0.653 7.348 1.00 0.00 C ATOM 346 O ASN A 22 -11.816 0.294 7.635 1.00 0.00 O ATOM 347 CB ASN A 22 -12.575 -2.427 8.362 1.00 0.00 C ATOM 348 CG ASN A 22 -13.760 -1.470 8.537 1.00 0.00 C ATOM 349 OD1 ASN A 22 -14.765 -1.578 7.836 1.00 0.00 O ATOM 350 ND2 ASN A 22 -13.647 -0.526 9.475 1.00 0.00 N ATOM 0 H ASN A 22 -10.305 -3.431 7.964 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.244 -2.081 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.954 -3.440 8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.981 -2.426 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.409 0.135 9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.799 -0.466 10.038 1.00 0.00 H new ATOM 357 N ALA A 23 -9.754 -0.499 7.159 1.00 0.00 N ATOM 358 CA ALA A 23 -9.005 0.753 7.338 1.00 0.00 C ATOM 359 C ALA A 23 -9.070 1.635 6.071 1.00 0.00 C ATOM 360 O ALA A 23 -8.459 2.705 6.032 1.00 0.00 O ATOM 361 CB ALA A 23 -7.546 0.438 7.701 1.00 0.00 C ATOM 0 H ALA A 23 -9.157 -1.273 6.867 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.464 1.314 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.995 1.369 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.517 -0.135 8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.089 -0.144 6.900 1.00 0.00 H new ATOM 367 N ASP A 24 -9.830 1.199 5.047 1.00 0.00 N ATOM 368 CA ASP A 24 -10.313 2.031 3.934 1.00 0.00 C ATOM 369 C ASP A 24 -11.083 3.264 4.456 1.00 0.00 C ATOM 370 O ASP A 24 -12.155 3.121 5.047 1.00 0.00 O ATOM 371 CB ASP A 24 -11.187 1.171 2.994 1.00 0.00 C ATOM 372 CG ASP A 24 -11.468 1.838 1.643 1.00 0.00 C ATOM 373 OD1 ASP A 24 -12.463 2.593 1.572 1.00 0.00 O ATOM 374 OD2 ASP A 24 -10.689 1.579 0.699 1.00 0.00 O ATOM 0 H ASP A 24 -10.132 0.228 4.972 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.459 2.407 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.691 0.215 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.134 0.955 3.488 1.00 0.00 H new ATOM 379 N GLY A 25 -10.538 4.475 4.230 1.00 0.00 N ATOM 380 CA GLY A 25 -11.067 5.756 4.717 1.00 0.00 C ATOM 381 C GLY A 25 -10.199 6.355 5.843 1.00 0.00 C ATOM 382 O GLY A 25 -10.055 7.576 5.933 1.00 0.00 O ATOM 0 H GLY A 25 -9.685 4.588 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.123 6.462 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.084 5.612 5.082 1.00 0.00 H new ATOM 386 N GLU A 26 -9.638 5.494 6.713 1.00 0.00 N ATOM 387 CA GLU A 26 -8.873 5.858 7.917 1.00 0.00 C ATOM 388 C GLU A 26 -7.505 6.461 7.531 1.00 0.00 C ATOM 389 O GLU A 26 -7.048 7.423 8.148 1.00 0.00 O ATOM 390 CB GLU A 26 -8.704 4.618 8.822 1.00 0.00 C ATOM 391 CG GLU A 26 -8.815 4.954 10.321 1.00 0.00 C ATOM 392 CD GLU A 26 -9.996 5.863 10.683 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.139 5.415 10.443 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.752 6.980 11.192 1.00 0.00 O ATOM 0 H GLU A 26 -9.709 4.484 6.589 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.422 6.619 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.462 3.879 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.734 4.161 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.903 4.024 10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.891 5.435 10.642 1.00 0.00 H new ATOM 401 N PHE A 27 -6.861 5.891 6.489 1.00 0.00 N ATOM 402 CA PHE A 27 -5.654 6.424 5.843 1.00 0.00 C ATOM 403 C PHE A 27 -5.286 5.623 4.572 1.00 0.00 C ATOM 404 O PHE A 27 -5.963 4.662 4.207 1.00 0.00 O ATOM 405 CB PHE A 27 -4.459 6.412 6.822 1.00 0.00 C ATOM 406 CG PHE A 27 -4.181 5.103 7.551 1.00 0.00 C ATOM 407 CD1 PHE A 27 -5.230 4.314 8.072 1.00 0.00 C ATOM 408 CD2 PHE A 27 -2.837 4.683 7.738 1.00 0.00 C ATOM 409 CE1 PHE A 27 -4.946 3.107 8.746 1.00 0.00 C ATOM 410 CE2 PHE A 27 -2.558 3.454 8.370 1.00 0.00 C ATOM 411 CZ PHE A 27 -3.613 2.670 8.885 1.00 0.00 C ATOM 0 H PHE A 27 -7.182 5.020 6.065 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.874 7.451 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.563 6.689 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.624 7.188 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.254 4.636 7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.026 5.308 7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.752 2.517 9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.537 3.112 8.460 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.399 1.737 9.385 1.00 0.00 H new ATOM 421 N VAL A 28 -4.171 6.021 3.920 1.00 0.00 N ATOM 422 CA VAL A 28 -3.400 5.229 2.952 1.00 0.00 C ATOM 423 C VAL A 28 -1.930 5.129 3.415 1.00 0.00 C ATOM 424 O VAL A 28 -1.544 5.777 4.391 1.00 0.00 O ATOM 425 CB VAL A 28 -3.498 5.841 1.527 1.00 0.00 C ATOM 426 CG1 VAL A 28 -4.945 6.251 1.183 1.00 0.00 C ATOM 427 CG2 VAL A 28 -2.591 7.071 1.339 1.00 0.00 C ATOM 0 H VAL A 28 -3.770 6.948 4.065 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.821 4.225 2.904 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.162 5.052 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.974 6.675 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.591 5.374 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.293 6.994 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.703 7.454 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.875 7.845 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.552 6.786 1.507 1.00 0.00 H new ATOM 437 N PHE A 29 -1.105 4.320 2.718 1.00 0.00 N ATOM 438 CA PHE A 29 0.363 4.320 2.835 1.00 0.00 C ATOM 439 C PHE A 29 1.036 4.169 1.452 1.00 0.00 C ATOM 440 O PHE A 29 0.448 3.596 0.533 1.00 0.00 O ATOM 441 CB PHE A 29 0.826 3.193 3.781 1.00 0.00 C ATOM 442 CG PHE A 29 0.665 1.772 3.257 1.00 0.00 C ATOM 443 CD1 PHE A 29 1.673 1.190 2.451 1.00 0.00 C ATOM 444 CD2 PHE A 29 -0.479 1.015 3.598 1.00 0.00 C ATOM 445 CE1 PHE A 29 1.550 -0.147 2.018 1.00 0.00 C ATOM 446 CE2 PHE A 29 -0.575 -0.338 3.207 1.00 0.00 C ATOM 447 CZ PHE A 29 0.436 -0.918 2.414 1.00 0.00 C ATOM 0 H PHE A 29 -1.451 3.636 2.045 1.00 0.00 H new ATOM 0 HA PHE A 29 0.666 5.280 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.878 3.354 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.271 3.279 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.538 1.771 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.281 1.472 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.309 -0.581 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.424 -0.930 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.358 -1.951 2.110 1.00 0.00 H new ATOM 457 N ALA A 30 2.261 4.714 1.307 1.00 0.00 N ATOM 458 CA ALA A 30 2.923 5.030 0.031 1.00 0.00 C ATOM 459 C ALA A 30 4.377 4.509 -0.004 1.00 0.00 C ATOM 460 O ALA A 30 5.248 5.082 0.660 1.00 0.00 O ATOM 461 CB ALA A 30 2.898 6.550 -0.206 1.00 0.00 C ATOM 0 H ALA A 30 2.838 4.955 2.113 1.00 0.00 H new ATOM 0 HA ALA A 30 2.375 4.527 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.389 6.779 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.865 6.896 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.422 7.054 0.606 1.00 0.00 H new ATOM 467 N VAL A 31 4.654 3.451 -0.790 1.00 0.00 N ATOM 468 CA VAL A 31 5.969 2.803 -0.907 1.00 0.00 C ATOM 469 C VAL A 31 6.794 3.478 -2.024 1.00 0.00 C ATOM 470 O VAL A 31 6.511 3.286 -3.207 1.00 0.00 O ATOM 471 CB VAL A 31 5.794 1.285 -1.173 1.00 0.00 C ATOM 472 CG1 VAL A 31 7.144 0.581 -1.408 1.00 0.00 C ATOM 473 CG2 VAL A 31 5.085 0.562 -0.013 1.00 0.00 C ATOM 0 H VAL A 31 3.945 3.012 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 31 6.513 2.919 0.031 1.00 0.00 H new ATOM 0 HB VAL A 31 5.179 1.224 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.974 -0.480 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.639 1.023 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.775 0.701 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.988 -0.497 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.670 0.678 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.095 0.993 0.134 1.00 0.00 H new ATOM 483 N ARG A 32 7.815 4.271 -1.643 1.00 0.00 N ATOM 484 CA ARG A 32 8.540 5.209 -2.512 1.00 0.00 C ATOM 485 C ARG A 32 9.245 4.473 -3.672 1.00 0.00 C ATOM 486 O ARG A 32 9.584 5.093 -4.683 1.00 0.00 O ATOM 487 CB ARG A 32 9.549 6.011 -1.664 1.00 0.00 C ATOM 488 CG ARG A 32 9.687 7.470 -2.128 1.00 0.00 C ATOM 489 CD ARG A 32 9.989 8.414 -0.956 1.00 0.00 C ATOM 490 NE ARG A 32 11.086 9.336 -1.288 1.00 0.00 N ATOM 491 CZ ARG A 32 12.392 9.019 -1.352 1.00 0.00 C ATOM 492 NH1 ARG A 32 12.822 7.771 -1.110 1.00 0.00 N ATOM 493 NH2 ARG A 32 13.286 9.970 -1.661 1.00 0.00 N ATOM 0 H ARG A 32 8.168 4.273 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 32 7.825 5.898 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.235 5.994 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.524 5.525 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.484 7.542 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.766 7.784 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.095 8.984 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.254 7.831 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 32 10.834 10.304 -1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.153 7.039 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.817 7.555 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.973 10.923 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.278 9.740 -1.712 1.00 0.00 H new ATOM 507 N THR A 33 9.487 3.157 -3.517 1.00 0.00 N ATOM 508 CA THR A 33 10.429 2.364 -4.322 1.00 0.00 C ATOM 509 C THR A 33 9.680 1.518 -5.375 1.00 0.00 C ATOM 510 O THR A 33 10.310 0.970 -6.286 1.00 0.00 O ATOM 511 CB THR A 33 11.291 1.473 -3.394 1.00 0.00 C ATOM 512 OG1 THR A 33 12.234 0.738 -4.153 1.00 0.00 O ATOM 513 CG2 THR A 33 10.458 0.471 -2.576 1.00 0.00 C ATOM 0 H THR A 33 9.015 2.601 -2.804 1.00 0.00 H new ATOM 0 HA THR A 33 11.090 3.042 -4.862 1.00 0.00 H new ATOM 0 HB THR A 33 11.786 2.155 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.916 0.653 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.120 -0.123 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.750 1.013 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.913 -0.187 -3.253 1.00 0.00 H new ATOM 521 N THR A 34 8.345 1.396 -5.251 1.00 0.00 N ATOM 522 CA THR A 34 7.438 0.846 -6.269 1.00 0.00 C ATOM 523 C THR A 34 6.703 1.977 -7.020 1.00 0.00 C ATOM 524 O THR A 34 6.230 1.770 -8.141 1.00 0.00 O ATOM 525 CB THR A 34 6.437 -0.134 -5.609 1.00 0.00 C ATOM 526 OG1 THR A 34 5.849 -0.970 -6.589 1.00 0.00 O ATOM 527 CG2 THR A 34 5.303 0.580 -4.853 1.00 0.00 C ATOM 0 H THR A 34 7.853 1.689 -4.407 1.00 0.00 H new ATOM 0 HA THR A 34 8.026 0.295 -7.004 1.00 0.00 H new ATOM 0 HB THR A 34 7.016 -0.714 -4.891 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.482 -1.770 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.636 -0.161 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.727 1.201 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.742 1.207 -5.546 1.00 0.00 H new ATOM 535 N GLY A 35 6.593 3.168 -6.399 1.00 0.00 N ATOM 536 CA GLY A 35 5.774 4.299 -6.858 1.00 0.00 C ATOM 537 C GLY A 35 4.269 3.960 -6.849 1.00 0.00 C ATOM 538 O GLY A 35 3.528 4.380 -7.739 1.00 0.00 O ATOM 0 H GLY A 35 7.092 3.373 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.956 5.162 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.077 4.581 -7.866 1.00 0.00 H new ATOM 542 N ILE A 36 3.821 3.194 -5.832 1.00 0.00 N ATOM 543 CA ILE A 36 2.425 2.804 -5.592 1.00 0.00 C ATOM 544 C ILE A 36 1.968 3.311 -4.205 1.00 0.00 C ATOM 545 O ILE A 36 2.798 3.569 -3.332 1.00 0.00 O ATOM 546 CB ILE A 36 2.270 1.262 -5.701 1.00 0.00 C ATOM 547 CG1 ILE A 36 2.932 0.684 -6.976 1.00 0.00 C ATOM 548 CG2 ILE A 36 0.782 0.858 -5.662 1.00 0.00 C ATOM 549 CD1 ILE A 36 2.852 -0.847 -7.074 1.00 0.00 C ATOM 0 H ILE A 36 4.454 2.816 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 36 1.790 3.261 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 36 2.788 0.839 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.454 1.121 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.979 0.986 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.697 -0.226 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.339 1.190 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.257 1.324 -6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.336 -1.179 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.356 -1.293 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.807 -1.157 -7.083 1.00 0.00 H new ATOM 561 N PHE A 37 0.641 3.430 -4.005 1.00 0.00 N ATOM 562 CA PHE A 37 -0.020 3.621 -2.706 1.00 0.00 C ATOM 563 C PHE A 37 -1.147 2.585 -2.500 1.00 0.00 C ATOM 564 O PHE A 37 -1.638 1.997 -3.465 1.00 0.00 O ATOM 565 CB PHE A 37 -0.586 5.052 -2.608 1.00 0.00 C ATOM 566 CG PHE A 37 -1.605 5.426 -3.676 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.679 4.555 -3.966 1.00 0.00 C ATOM 568 CD2 PHE A 37 -1.501 6.660 -4.360 1.00 0.00 C ATOM 569 CE1 PHE A 37 -3.646 4.919 -4.928 1.00 0.00 C ATOM 570 CE2 PHE A 37 -2.455 7.012 -5.337 1.00 0.00 C ATOM 571 CZ PHE A 37 -3.545 6.154 -5.600 1.00 0.00 C ATOM 0 H PHE A 37 -0.024 3.394 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 37 0.721 3.475 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.049 5.175 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.244 5.757 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.760 3.609 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.689 7.334 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.465 4.250 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.352 7.938 -5.884 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.301 6.444 -6.315 1.00 0.00 H new ATOM 581 N CYS A 38 -1.541 2.351 -1.233 1.00 0.00 N ATOM 582 CA CYS A 38 -2.347 1.221 -0.754 1.00 0.00 C ATOM 583 C CYS A 38 -3.310 1.667 0.371 1.00 0.00 C ATOM 584 O CYS A 38 -3.243 2.800 0.849 1.00 0.00 O ATOM 585 CB CYS A 38 -1.405 0.099 -0.265 1.00 0.00 C ATOM 586 SG CYS A 38 -0.469 -0.668 -1.621 1.00 0.00 S ATOM 0 H CYS A 38 -1.288 2.985 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.959 0.843 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.708 0.508 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.991 -0.666 0.245 1.00 0.00 H new ATOM 591 N ARG A 39 -4.182 0.744 0.815 1.00 0.00 N ATOM 592 CA ARG A 39 -4.894 0.744 2.104 1.00 0.00 C ATOM 593 C ARG A 39 -4.147 -0.182 3.096 1.00 0.00 C ATOM 594 O ARG A 39 -3.423 -1.078 2.621 1.00 0.00 O ATOM 595 CB ARG A 39 -6.340 0.253 1.858 1.00 0.00 C ATOM 596 CG ARG A 39 -7.175 0.066 3.130 1.00 0.00 C ATOM 597 CD ARG A 39 -8.246 -1.023 3.014 1.00 0.00 C ATOM 598 NE ARG A 39 -8.961 -0.887 1.737 1.00 0.00 N ATOM 599 CZ ARG A 39 -9.733 -1.818 1.150 1.00 0.00 C ATOM 600 NH1 ARG A 39 -9.924 -3.022 1.713 1.00 0.00 N ATOM 601 NH2 ARG A 39 -10.322 -1.531 -0.021 1.00 0.00 N ATOM 0 H ARG A 39 -4.422 -0.070 0.249 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.928 1.745 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.847 0.967 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.302 -0.695 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.509 -0.179 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.657 1.011 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.784 -2.008 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.948 -0.945 3.844 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.862 0.002 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.479 -3.245 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.514 -3.714 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.181 -0.618 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.911 -2.226 -0.480 1.00 0.00 H new ATOM 615 N PRO A 40 -4.229 -0.017 4.437 1.00 0.00 N ATOM 616 CA PRO A 40 -3.402 -0.755 5.411 1.00 0.00 C ATOM 617 C PRO A 40 -3.386 -2.291 5.246 1.00 0.00 C ATOM 618 O PRO A 40 -2.518 -2.964 5.808 1.00 0.00 O ATOM 619 CB PRO A 40 -3.932 -0.333 6.798 1.00 0.00 C ATOM 620 CG PRO A 40 -4.530 1.054 6.545 1.00 0.00 C ATOM 621 CD PRO A 40 -5.120 0.893 5.144 1.00 0.00 C ATOM 0 HA PRO A 40 -2.354 -0.496 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.681 -1.031 7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.133 -0.297 7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.291 1.311 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.773 1.838 6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.132 0.491 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.182 1.854 4.634 1.00 0.00 H new ATOM 629 N SER A 41 -4.338 -2.845 4.471 1.00 0.00 N ATOM 630 CA SER A 41 -4.680 -4.272 4.375 1.00 0.00 C ATOM 631 C SER A 41 -3.795 -5.037 3.371 1.00 0.00 C ATOM 632 O SER A 41 -4.142 -6.169 2.995 1.00 0.00 O ATOM 633 CB SER A 41 -6.173 -4.410 3.995 1.00 0.00 C ATOM 634 OG SER A 41 -6.620 -5.743 4.140 1.00 0.00 O ATOM 0 H SER A 41 -4.921 -2.273 3.861 1.00 0.00 H new ATOM 0 HA SER A 41 -4.494 -4.723 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.773 -3.753 4.625 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.320 -4.085 2.965 1.00 0.00 H new ATOM 0 HG SER A 41 -5.942 -6.356 3.786 1.00 0.00 H new ATOM 640 N CYS A 42 -2.676 -4.452 2.887 1.00 0.00 N ATOM 641 CA CYS A 42 -1.987 -4.905 1.662 1.00 0.00 C ATOM 642 C CYS A 42 -1.450 -6.342 1.843 1.00 0.00 C ATOM 643 O CYS A 42 -0.328 -6.528 2.319 1.00 0.00 O ATOM 644 CB CYS A 42 -0.865 -3.922 1.273 1.00 0.00 C ATOM 645 SG CYS A 42 -0.194 -4.288 -0.384 1.00 0.00 S ATOM 0 H CYS A 42 -2.227 -3.653 3.336 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.706 -4.922 0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.251 -2.903 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.064 -3.974 2.010 1.00 0.00 H new ATOM 650 N ARG A 43 -2.257 -7.358 1.479 1.00 0.00 N ATOM 651 CA ARG A 43 -2.058 -8.773 1.826 1.00 0.00 C ATOM 652 C ARG A 43 -0.822 -9.350 1.104 1.00 0.00 C ATOM 653 O ARG A 43 -0.126 -10.207 1.653 1.00 0.00 O ATOM 654 CB ARG A 43 -3.334 -9.573 1.490 1.00 0.00 C ATOM 655 CG ARG A 43 -3.383 -10.025 0.021 1.00 0.00 C ATOM 656 CD ARG A 43 -4.336 -11.212 -0.184 1.00 0.00 C ATOM 657 NE ARG A 43 -5.618 -10.983 0.502 1.00 0.00 N ATOM 658 CZ ARG A 43 -6.837 -11.012 -0.069 1.00 0.00 C ATOM 659 NH1 ARG A 43 -6.991 -11.264 -1.378 1.00 0.00 N ATOM 660 NH2 ARG A 43 -7.921 -10.786 0.686 1.00 0.00 N ATOM 0 H ARG A 43 -3.094 -7.207 0.916 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.870 -8.854 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.390 -10.448 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.209 -8.960 1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.702 -9.191 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.381 -10.304 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.511 -11.363 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.874 -12.124 0.195 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.579 -10.784 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.174 -11.439 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.925 -11.281 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.818 -10.594 1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.849 -10.805 0.264 1.00 0.00 H new ATOM 674 N ALA A 44 -0.542 -8.866 -0.121 1.00 0.00 N ATOM 675 CA ALA A 44 0.725 -9.049 -0.843 1.00 0.00 C ATOM 676 C ALA A 44 1.892 -8.358 -0.105 1.00 0.00 C ATOM 677 O ALA A 44 1.826 -7.159 0.173 1.00 0.00 O ATOM 678 CB ALA A 44 0.591 -8.504 -2.274 1.00 0.00 C ATOM 0 H ALA A 44 -1.219 -8.317 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 44 0.948 -10.115 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.533 -8.642 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.202 -9.041 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.347 -7.442 -2.238 1.00 0.00 H new ATOM 684 N ARG A 45 2.950 -9.124 0.225 1.00 0.00 N ATOM 685 CA ARG A 45 4.077 -8.711 1.073 1.00 0.00 C ATOM 686 C ARG A 45 4.565 -7.296 0.694 1.00 0.00 C ATOM 687 O ARG A 45 4.852 -7.029 -0.474 1.00 0.00 O ATOM 688 CB ARG A 45 5.211 -9.751 0.958 1.00 0.00 C ATOM 689 CG ARG A 45 6.532 -9.259 1.572 1.00 0.00 C ATOM 690 CD ARG A 45 6.331 -8.684 2.981 1.00 0.00 C ATOM 691 NE ARG A 45 7.591 -8.700 3.740 1.00 0.00 N ATOM 692 CZ ARG A 45 8.323 -9.791 4.033 1.00 0.00 C ATOM 693 NH1 ARG A 45 7.927 -11.018 3.661 1.00 0.00 N ATOM 694 NH2 ARG A 45 9.471 -9.650 4.710 1.00 0.00 N ATOM 0 H ARG A 45 3.043 -10.084 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 45 3.748 -8.666 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.905 -10.672 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.371 -9.993 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.242 -10.085 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.969 -8.496 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.957 -7.663 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.576 -9.265 3.511 1.00 0.00 H new ATOM 0 HE ARG A 45 7.942 -7.803 4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.055 -11.138 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.498 -11.831 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.783 -8.722 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.033 -10.470 4.937 1.00 0.00 H new ATOM 708 N HIS A 46 4.639 -6.385 1.684 1.00 0.00 N ATOM 709 CA HIS A 46 4.839 -4.940 1.500 1.00 0.00 C ATOM 710 C HIS A 46 6.290 -4.527 1.828 1.00 0.00 C ATOM 711 O HIS A 46 6.827 -4.916 2.867 1.00 0.00 O ATOM 712 CB HIS A 46 3.818 -4.140 2.345 1.00 0.00 C ATOM 713 CG HIS A 46 3.167 -4.947 3.442 1.00 0.00 C ATOM 714 ND1 HIS A 46 3.379 -4.647 4.790 1.00 0.00 N ATOM 715 CD2 HIS A 46 2.313 -6.015 3.356 1.00 0.00 C ATOM 716 CE1 HIS A 46 2.639 -5.536 5.458 1.00 0.00 C ATOM 717 NE2 HIS A 46 1.981 -6.378 4.645 1.00 0.00 N ATOM 0 H HIS A 46 4.558 -6.647 2.666 1.00 0.00 H new ATOM 0 HA HIS A 46 4.667 -4.704 0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.322 -3.281 2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.043 -3.749 1.686 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.969 -3.911 5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.965 -6.485 2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.577 -5.573 6.536 1.00 0.00 H new ATOM 725 N ALA A 47 6.912 -3.718 0.949 1.00 0.00 N ATOM 726 CA ALA A 47 8.137 -2.951 1.217 1.00 0.00 C ATOM 727 C ALA A 47 8.081 -2.287 2.611 1.00 0.00 C ATOM 728 O ALA A 47 7.034 -1.776 3.013 1.00 0.00 O ATOM 729 CB ALA A 47 8.342 -1.893 0.121 1.00 0.00 C ATOM 0 H ALA A 47 6.561 -3.578 0.002 1.00 0.00 H new ATOM 0 HA ALA A 47 8.984 -3.637 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.252 -1.328 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.431 -2.385 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.489 -1.214 0.106 1.00 0.00 H new ATOM 735 N LEU A 48 9.205 -2.320 3.352 1.00 0.00 N ATOM 736 CA LEU A 48 9.281 -2.071 4.798 1.00 0.00 C ATOM 737 C LEU A 48 8.612 -0.727 5.167 1.00 0.00 C ATOM 738 O LEU A 48 8.426 0.137 4.310 1.00 0.00 O ATOM 739 CB LEU A 48 10.756 -2.061 5.255 1.00 0.00 C ATOM 740 CG LEU A 48 11.416 -3.447 5.417 1.00 0.00 C ATOM 741 CD1 LEU A 48 12.926 -3.322 5.162 1.00 0.00 C ATOM 742 CD2 LEU A 48 11.192 -4.037 6.819 1.00 0.00 C ATOM 0 H LEU A 48 10.116 -2.528 2.942 1.00 0.00 H new ATOM 0 HA LEU A 48 8.747 -2.873 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.336 -1.485 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.818 -1.536 6.208 1.00 0.00 H new ATOM 0 HG LEU A 48 10.954 -4.119 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.396 -4.299 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.095 -2.953 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.360 -2.625 5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.675 -5.012 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.619 -3.369 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.123 -4.148 7.000 1.00 0.00 H new ATOM 754 N ARG A 49 8.279 -0.551 6.460 1.00 0.00 N ATOM 755 CA ARG A 49 8.006 0.728 7.130 1.00 0.00 C ATOM 756 C ARG A 49 8.886 1.861 6.561 1.00 0.00 C ATOM 757 O ARG A 49 8.410 2.953 6.253 1.00 0.00 O ATOM 758 CB ARG A 49 8.238 0.546 8.648 1.00 0.00 C ATOM 759 CG ARG A 49 8.462 1.874 9.387 1.00 0.00 C ATOM 760 CD ARG A 49 7.300 2.852 9.165 1.00 0.00 C ATOM 761 NE ARG A 49 7.140 3.743 10.324 1.00 0.00 N ATOM 762 CZ ARG A 49 7.011 3.364 11.609 1.00 0.00 C ATOM 763 NH1 ARG A 49 6.858 2.074 11.947 1.00 0.00 N ATOM 764 NH2 ARG A 49 7.039 4.296 12.572 1.00 0.00 N ATOM 0 H ARG A 49 8.189 -1.343 7.097 1.00 0.00 H new ATOM 0 HA ARG A 49 6.971 1.018 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.378 0.036 9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.103 -0.099 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.577 1.682 10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.391 2.329 9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.483 3.444 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.377 2.296 8.998 1.00 0.00 H new ATOM 0 HE ARG A 49 7.125 4.745 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.838 1.356 11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.762 1.812 12.928 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.157 5.279 12.327 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.942 4.022 13.550 1.00 0.00 H new ATOM 778 N GLU A 50 10.210 1.581 6.446 1.00 0.00 N ATOM 779 CA GLU A 50 11.286 2.554 6.256 1.00 0.00 C ATOM 780 C GLU A 50 11.190 3.263 4.895 1.00 0.00 C ATOM 781 O GLU A 50 11.763 4.336 4.701 1.00 0.00 O ATOM 782 CB GLU A 50 12.641 1.834 6.396 1.00 0.00 C ATOM 783 CG GLU A 50 13.813 2.823 6.383 1.00 0.00 C ATOM 784 CD GLU A 50 14.751 2.676 5.176 1.00 0.00 C ATOM 785 OE1 GLU A 50 14.441 3.254 4.110 1.00 0.00 O ATOM 786 OE2 GLU A 50 15.774 1.976 5.348 1.00 0.00 O ATOM 0 H GLU A 50 10.559 0.623 6.487 1.00 0.00 H new ATOM 0 HA GLU A 50 11.192 3.326 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.656 1.264 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.759 1.119 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.417 3.838 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.393 2.693 7.297 1.00 0.00 H new ATOM 793 N ASN A 51 10.460 2.652 3.938 1.00 0.00 N ATOM 794 CA ASN A 51 10.208 3.148 2.579 1.00 0.00 C ATOM 795 C ASN A 51 8.770 3.701 2.448 1.00 0.00 C ATOM 796 O ASN A 51 8.496 4.525 1.575 1.00 0.00 O ATOM 797 CB ASN A 51 10.432 2.012 1.560 1.00 0.00 C ATOM 798 CG ASN A 51 11.914 1.761 1.225 1.00 0.00 C ATOM 799 OD1 ASN A 51 12.711 2.688 1.107 1.00 0.00 O ATOM 800 ND2 ASN A 51 12.272 0.477 1.087 1.00 0.00 N ATOM 0 H ASN A 51 10.009 1.753 4.107 1.00 0.00 H new ATOM 0 HA ASN A 51 10.904 3.962 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.997 1.093 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.897 2.250 0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.241 0.238 0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.576 -0.261 1.194 1.00 0.00 H new ATOM 807 N VAL A 52 7.854 3.221 3.314 1.00 0.00 N ATOM 808 CA VAL A 52 6.411 3.498 3.306 1.00 0.00 C ATOM 809 C VAL A 52 6.080 4.709 4.208 1.00 0.00 C ATOM 810 O VAL A 52 6.643 4.851 5.293 1.00 0.00 O ATOM 811 CB VAL A 52 5.629 2.237 3.765 1.00 0.00 C ATOM 812 CG1 VAL A 52 4.969 2.441 5.142 1.00 0.00 C ATOM 813 CG2 VAL A 52 4.526 1.831 2.772 1.00 0.00 C ATOM 0 H VAL A 52 8.120 2.597 4.076 1.00 0.00 H new ATOM 0 HA VAL A 52 6.107 3.747 2.289 1.00 0.00 H new ATOM 0 HB VAL A 52 6.376 1.445 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.432 1.536 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.737 2.656 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.270 3.276 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.012 0.944 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.812 2.648 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.972 1.613 1.802 1.00 0.00 H new ATOM 823 N SER A 53 5.164 5.583 3.741 1.00 0.00 N ATOM 824 CA SER A 53 4.609 6.723 4.483 1.00 0.00 C ATOM 825 C SER A 53 3.097 6.906 4.213 1.00 0.00 C ATOM 826 O SER A 53 2.594 6.450 3.188 1.00 0.00 O ATOM 827 CB SER A 53 5.380 8.008 4.125 1.00 0.00 C ATOM 828 OG SER A 53 4.775 8.689 3.042 1.00 0.00 O ATOM 0 H SER A 53 4.779 5.507 2.800 1.00 0.00 H new ATOM 0 HA SER A 53 4.725 6.517 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.418 8.665 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.409 7.757 3.869 1.00 0.00 H new ATOM 0 HG SER A 53 5.286 9.501 2.840 1.00 0.00 H new ATOM 834 N PHE A 54 2.397 7.581 5.151 1.00 0.00 N ATOM 835 CA PHE A 54 0.935 7.552 5.312 1.00 0.00 C ATOM 836 C PHE A 54 0.272 8.914 4.983 1.00 0.00 C ATOM 837 O PHE A 54 0.793 9.984 5.298 1.00 0.00 O ATOM 838 CB PHE A 54 0.576 7.139 6.754 1.00 0.00 C ATOM 839 CG PHE A 54 1.268 5.879 7.255 1.00 0.00 C ATOM 840 CD1 PHE A 54 2.640 5.911 7.599 1.00 0.00 C ATOM 841 CD2 PHE A 54 0.551 4.664 7.347 1.00 0.00 C ATOM 842 CE1 PHE A 54 3.298 4.729 8.001 1.00 0.00 C ATOM 843 CE2 PHE A 54 1.207 3.486 7.765 1.00 0.00 C ATOM 844 CZ PHE A 54 2.586 3.512 8.058 1.00 0.00 C ATOM 0 H PHE A 54 2.854 8.180 5.838 1.00 0.00 H new ATOM 0 HA PHE A 54 0.549 6.821 4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.824 7.962 7.424 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.502 6.992 6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.185 6.842 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.499 4.637 7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.345 4.756 8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.652 2.564 7.860 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.098 2.600 8.326 1.00 0.00 H new ATOM 854 N TYR A 55 -0.912 8.854 4.344 1.00 0.00 N ATOM 855 CA TYR A 55 -1.843 9.937 4.007 1.00 0.00 C ATOM 856 C TYR A 55 -3.208 9.758 4.717 1.00 0.00 C ATOM 857 O TYR A 55 -3.424 8.801 5.458 1.00 0.00 O ATOM 858 CB TYR A 55 -2.070 9.955 2.477 1.00 0.00 C ATOM 859 CG TYR A 55 -0.796 9.838 1.651 1.00 0.00 C ATOM 860 CD1 TYR A 55 -0.187 8.586 1.425 1.00 0.00 C ATOM 861 CD2 TYR A 55 -0.191 11.012 1.127 1.00 0.00 C ATOM 862 CE1 TYR A 55 1.037 8.505 0.729 1.00 0.00 C ATOM 863 CE2 TYR A 55 1.044 10.933 0.453 1.00 0.00 C ATOM 864 CZ TYR A 55 1.660 9.678 0.250 1.00 0.00 C ATOM 865 OH TYR A 55 2.854 9.595 -0.406 1.00 0.00 O ATOM 0 H TYR A 55 -1.271 7.956 4.021 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.404 10.876 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.737 9.135 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.579 10.881 2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.660 7.685 1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.679 11.968 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.499 7.543 0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.520 11.833 0.091 1.00 0.00 H new ATOM 0 HH TYR A 55 3.486 10.235 -0.017 1.00 0.00 H new ATOM 875 N ALA A 56 -4.139 10.702 4.432 1.00 0.00 N ATOM 876 CA ALA A 56 -5.584 10.570 4.656 1.00 0.00 C ATOM 877 C ALA A 56 -6.249 9.687 3.576 1.00 0.00 C ATOM 878 O ALA A 56 -7.071 8.826 3.905 1.00 0.00 O ATOM 879 CB ALA A 56 -6.234 11.962 4.684 1.00 0.00 C ATOM 0 H ALA A 56 -3.887 11.603 4.026 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.735 10.080 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.306 11.860 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.796 12.552 5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.061 12.464 3.732 1.00 0.00 H new ATOM 885 N ASN A 57 -5.915 9.906 2.289 1.00 0.00 N ATOM 886 CA ASN A 57 -6.489 9.207 1.129 1.00 0.00 C ATOM 887 C ASN A 57 -5.474 9.117 -0.032 1.00 0.00 C ATOM 888 O ASN A 57 -4.368 9.651 0.064 1.00 0.00 O ATOM 889 CB ASN A 57 -7.763 9.939 0.657 1.00 0.00 C ATOM 890 CG ASN A 57 -7.517 11.406 0.285 1.00 0.00 C ATOM 891 OD1 ASN A 57 -7.107 11.709 -0.834 1.00 0.00 O ATOM 892 ND2 ASN A 57 -7.764 12.324 1.224 1.00 0.00 N ATOM 0 H ASN A 57 -5.215 10.598 2.023 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.742 8.192 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.175 9.417 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.514 9.892 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.613 13.313 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.104 12.036 2.142 1.00 0.00 H new ATOM 899 N ALA A 58 -5.867 8.452 -1.137 1.00 0.00 N ATOM 900 CA ALA A 58 -5.014 8.106 -2.282 1.00 0.00 C ATOM 901 C ALA A 58 -4.803 9.319 -3.217 1.00 0.00 C ATOM 902 O ALA A 58 -3.934 9.277 -4.090 1.00 0.00 O ATOM 903 CB ALA A 58 -5.635 6.933 -3.057 1.00 0.00 C ATOM 0 H ALA A 58 -6.827 8.130 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.036 7.810 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.999 6.680 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.723 6.068 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.624 7.218 -3.417 1.00 0.00 H new ATOM 909 N SER A 59 -5.610 10.383 -3.046 1.00 0.00 N ATOM 910 CA SER A 59 -5.487 11.686 -3.720 1.00 0.00 C ATOM 911 C SER A 59 -4.281 12.495 -3.197 1.00 0.00 C ATOM 912 O SER A 59 -3.598 13.163 -3.976 1.00 0.00 O ATOM 913 CB SER A 59 -6.796 12.485 -3.573 1.00 0.00 C ATOM 914 OG SER A 59 -6.549 13.839 -3.252 1.00 0.00 O ATOM 0 H SER A 59 -6.402 10.355 -2.404 1.00 0.00 H new ATOM 0 HA SER A 59 -5.307 11.499 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.363 12.429 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.413 12.033 -2.796 1.00 0.00 H new ATOM 0 HG SER A 59 -7.401 14.316 -3.168 1.00 0.00 H new ATOM 920 N GLU A 60 -4.028 12.436 -1.878 1.00 0.00 N ATOM 921 CA GLU A 60 -2.797 12.910 -1.220 1.00 0.00 C ATOM 922 C GLU A 60 -1.585 12.092 -1.723 1.00 0.00 C ATOM 923 O GLU A 60 -0.526 12.636 -2.034 1.00 0.00 O ATOM 924 CB GLU A 60 -2.934 12.810 0.315 1.00 0.00 C ATOM 925 CG GLU A 60 -2.447 14.079 1.041 1.00 0.00 C ATOM 926 CD GLU A 60 -3.424 15.258 0.976 1.00 0.00 C ATOM 927 OE1 GLU A 60 -4.484 15.191 1.639 1.00 0.00 O ATOM 928 OE2 GLU A 60 -3.086 16.223 0.255 1.00 0.00 O ATOM 0 H GLU A 60 -4.698 12.043 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.637 13.958 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.978 12.628 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.364 11.952 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.259 13.835 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.495 14.387 0.609 1.00 0.00 H new ATOM 935 N ALA A 61 -1.780 10.754 -1.817 1.00 0.00 N ATOM 936 CA ALA A 61 -0.803 9.791 -2.341 1.00 0.00 C ATOM 937 C ALA A 61 -0.595 9.986 -3.861 1.00 0.00 C ATOM 938 O ALA A 61 0.499 9.746 -4.373 1.00 0.00 O ATOM 939 CB ALA A 61 -1.266 8.359 -2.032 1.00 0.00 C ATOM 0 H ALA A 61 -2.649 10.311 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 61 0.155 9.964 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.537 7.649 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.355 8.230 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.234 8.181 -2.500 1.00 0.00 H new ATOM 945 N LEU A 62 -1.645 10.445 -4.567 1.00 0.00 N ATOM 946 CA LEU A 62 -1.611 10.928 -5.960 1.00 0.00 C ATOM 947 C LEU A 62 -0.881 12.285 -6.047 1.00 0.00 C ATOM 948 O LEU A 62 -0.126 12.536 -6.987 1.00 0.00 O ATOM 949 CB LEU A 62 -3.050 11.070 -6.499 1.00 0.00 C ATOM 950 CG LEU A 62 -3.465 10.039 -7.572 1.00 0.00 C ATOM 951 CD1 LEU A 62 -4.951 10.233 -7.913 1.00 0.00 C ATOM 952 CD2 LEU A 62 -2.636 10.167 -8.860 1.00 0.00 C ATOM 0 H LEU A 62 -2.581 10.491 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.068 10.203 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.742 10.994 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.165 12.070 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.285 9.047 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.248 9.507 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.552 10.088 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.108 11.241 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.967 9.420 -9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.770 11.163 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.582 10.009 -8.632 1.00 0.00 H new ATOM 964 N ALA A 63 -1.105 13.152 -5.036 1.00 0.00 N ATOM 965 CA ALA A 63 -0.313 14.352 -4.741 1.00 0.00 C ATOM 966 C ALA A 63 1.178 13.996 -4.537 1.00 0.00 C ATOM 967 O ALA A 63 2.054 14.836 -4.746 1.00 0.00 O ATOM 968 CB ALA A 63 -0.873 15.058 -3.495 1.00 0.00 C ATOM 0 H ALA A 63 -1.875 13.024 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.382 15.029 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.279 15.947 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.908 15.347 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.829 14.381 -2.642 1.00 0.00 H new ATOM 974 N ALA A 64 1.451 12.743 -4.125 1.00 0.00 N ATOM 975 CA ALA A 64 2.790 12.161 -3.962 1.00 0.00 C ATOM 976 C ALA A 64 3.310 11.547 -5.279 1.00 0.00 C ATOM 977 O ALA A 64 4.476 11.151 -5.361 1.00 0.00 O ATOM 978 CB ALA A 64 2.762 11.100 -2.849 1.00 0.00 C ATOM 0 H ALA A 64 0.710 12.083 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 64 3.476 12.961 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.757 10.670 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.453 11.564 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.056 10.313 -3.114 1.00 0.00 H new ATOM 984 N GLY A 65 2.454 11.475 -6.322 1.00 0.00 N ATOM 985 CA GLY A 65 2.829 11.048 -7.680 1.00 0.00 C ATOM 986 C GLY A 65 2.342 9.620 -8.023 1.00 0.00 C ATOM 987 O GLY A 65 2.302 9.234 -9.191 1.00 0.00 O ATOM 0 H GLY A 65 1.467 11.717 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.414 11.750 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.913 11.090 -7.781 1.00 0.00 H new ATOM 991 N PHE A 66 2.007 8.837 -6.978 1.00 0.00 N ATOM 992 CA PHE A 66 1.899 7.372 -6.996 1.00 0.00 C ATOM 993 C PHE A 66 0.555 6.909 -7.602 1.00 0.00 C ATOM 994 O PHE A 66 -0.444 7.625 -7.531 1.00 0.00 O ATOM 995 CB PHE A 66 2.055 6.815 -5.566 1.00 0.00 C ATOM 996 CG PHE A 66 3.312 7.248 -4.823 1.00 0.00 C ATOM 997 CD1 PHE A 66 4.488 7.574 -5.539 1.00 0.00 C ATOM 998 CD2 PHE A 66 3.317 7.305 -3.411 1.00 0.00 C ATOM 999 CE1 PHE A 66 5.635 8.025 -4.851 1.00 0.00 C ATOM 1000 CE2 PHE A 66 4.466 7.753 -2.724 1.00 0.00 C ATOM 1001 CZ PHE A 66 5.618 8.130 -3.444 1.00 0.00 C ATOM 0 H PHE A 66 1.796 9.230 -6.061 1.00 0.00 H new ATOM 0 HA PHE A 66 2.700 6.984 -7.626 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.187 7.118 -4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.041 5.726 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.508 7.478 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.440 7.005 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.526 8.290 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.463 7.807 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.487 8.499 -2.919 1.00 0.00 H new ATOM 1011 N ARG A 67 0.550 5.704 -8.209 1.00 0.00 N ATOM 1012 CA ARG A 67 -0.613 5.039 -8.811 1.00 0.00 C ATOM 1013 C ARG A 67 -1.200 3.959 -7.866 1.00 0.00 C ATOM 1014 O ARG A 67 -0.457 3.405 -7.054 1.00 0.00 O ATOM 1015 CB ARG A 67 -0.196 4.405 -10.158 1.00 0.00 C ATOM 1016 CG ARG A 67 0.618 5.367 -11.030 1.00 0.00 C ATOM 1017 CD ARG A 67 0.207 5.369 -12.507 1.00 0.00 C ATOM 1018 NE ARG A 67 1.320 4.863 -13.325 1.00 0.00 N ATOM 1019 CZ ARG A 67 1.455 3.617 -13.808 1.00 0.00 C ATOM 1020 NH1 ARG A 67 0.536 2.670 -13.567 1.00 0.00 N ATOM 1021 NH2 ARG A 67 2.535 3.324 -14.547 1.00 0.00 N ATOM 0 H ARG A 67 1.400 5.146 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.391 5.784 -8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.391 3.507 -9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.088 4.093 -10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.514 6.377 -10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.673 5.103 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.676 4.747 -12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.059 6.378 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 67 2.064 5.525 -13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.287 2.889 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.660 1.731 -13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.236 4.042 -14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.656 2.384 -14.923 1.00 0.00 H new ATOM 1035 N PRO A 68 -2.524 3.671 -7.921 1.00 0.00 N ATOM 1036 CA PRO A 68 -3.192 2.602 -7.160 1.00 0.00 C ATOM 1037 C PRO A 68 -2.615 1.178 -7.357 1.00 0.00 C ATOM 1038 O PRO A 68 -2.501 0.688 -8.480 1.00 0.00 O ATOM 1039 CB PRO A 68 -4.678 2.662 -7.555 1.00 0.00 C ATOM 1040 CG PRO A 68 -4.685 3.431 -8.877 1.00 0.00 C ATOM 1041 CD PRO A 68 -3.530 4.403 -8.687 1.00 0.00 C ATOM 0 HA PRO A 68 -3.027 2.784 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.099 1.664 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.272 3.171 -6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.528 2.773 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.630 3.948 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.131 4.730 -9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.854 5.298 -8.155 1.00 0.00 H new ATOM 1049 N CYS A 69 -2.267 0.510 -6.238 1.00 0.00 N ATOM 1050 CA CYS A 69 -1.819 -0.886 -6.123 1.00 0.00 C ATOM 1051 C CYS A 69 -2.864 -1.853 -6.716 1.00 0.00 C ATOM 1052 O CYS A 69 -4.070 -1.614 -6.588 1.00 0.00 O ATOM 1053 CB CYS A 69 -1.501 -1.156 -4.624 1.00 0.00 C ATOM 1054 SG CYS A 69 -1.081 -2.876 -4.206 1.00 0.00 S ATOM 0 H CYS A 69 -2.295 0.969 -5.327 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.914 -1.059 -6.706 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.671 -0.516 -4.326 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.364 -0.857 -4.029 1.00 0.00 H new ATOM 1059 N LYS A 70 -2.419 -2.939 -7.384 1.00 0.00 N ATOM 1060 CA LYS A 70 -3.220 -3.870 -8.194 1.00 0.00 C ATOM 1061 C LYS A 70 -4.183 -4.710 -7.321 1.00 0.00 C ATOM 1062 O LYS A 70 -4.953 -5.511 -7.852 1.00 0.00 O ATOM 1063 CB LYS A 70 -2.274 -4.779 -9.011 1.00 0.00 C ATOM 1064 CG LYS A 70 -2.995 -5.553 -10.128 1.00 0.00 C ATOM 1065 CD LYS A 70 -2.045 -5.974 -11.259 1.00 0.00 C ATOM 1066 CE LYS A 70 -2.178 -7.482 -11.523 1.00 0.00 C ATOM 1067 NZ LYS A 70 -3.371 -7.799 -12.325 1.00 0.00 N ATOM 0 H LYS A 70 -1.433 -3.201 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.842 -3.290 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.485 -4.169 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.792 -5.489 -8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.467 -6.440 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.792 -4.933 -10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.276 -5.416 -12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.017 -5.733 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.288 -7.839 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.229 -8.013 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.422 -8.826 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.223 -7.482 -11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.312 -7.313 -13.243 1.00 0.00 H new ATOM 1081 N ARG A 71 -4.121 -4.550 -5.985 1.00 0.00 N ATOM 1082 CA ARG A 71 -4.765 -5.376 -4.950 1.00 0.00 C ATOM 1083 C ARG A 71 -5.609 -4.536 -3.964 1.00 0.00 C ATOM 1084 O ARG A 71 -6.658 -4.977 -3.494 1.00 0.00 O ATOM 1085 CB ARG A 71 -3.655 -6.145 -4.193 1.00 0.00 C ATOM 1086 CG ARG A 71 -3.957 -7.639 -4.027 1.00 0.00 C ATOM 1087 CD ARG A 71 -3.533 -8.159 -2.648 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.039 -9.542 -2.737 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.715 -10.592 -3.237 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -4.983 -10.472 -3.660 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -3.110 -11.787 -3.311 1.00 0.00 N ATOM 0 H ARG A 71 -3.582 -3.788 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.457 -6.067 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.713 -6.029 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.519 -5.697 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.024 -7.811 -4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.438 -8.202 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.755 -7.516 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.379 -8.114 -1.962 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.098 -9.721 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.455 -9.570 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.474 -11.283 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.148 -11.892 -2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.612 -12.591 -3.688 1.00 0.00 H new ATOM 1105 N CYS A 72 -5.119 -3.327 -3.621 1.00 0.00 N ATOM 1106 CA CYS A 72 -5.510 -2.491 -2.477 1.00 0.00 C ATOM 1107 C CYS A 72 -6.589 -1.460 -2.872 1.00 0.00 C ATOM 1108 O CYS A 72 -7.657 -1.403 -2.262 1.00 0.00 O ATOM 1109 CB CYS A 72 -4.247 -1.786 -1.930 1.00 0.00 C ATOM 1110 SG CYS A 72 -3.287 -2.831 -0.796 1.00 0.00 S ATOM 0 H CYS A 72 -4.389 -2.882 -4.177 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.947 -3.122 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.613 -1.488 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.542 -0.873 -1.412 1.00 0.00 H new ATOM 1115 N GLN A 73 -6.272 -0.619 -3.879 1.00 0.00 N ATOM 1116 CA GLN A 73 -6.919 0.673 -4.154 1.00 0.00 C ATOM 1117 C GLN A 73 -8.188 0.490 -5.024 1.00 0.00 C ATOM 1118 O GLN A 73 -9.259 0.955 -4.615 1.00 0.00 O ATOM 1119 CB GLN A 73 -5.880 1.570 -4.860 1.00 0.00 C ATOM 1120 CG GLN A 73 -5.548 2.904 -4.169 1.00 0.00 C ATOM 1121 CD GLN A 73 -6.316 3.249 -2.885 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -5.722 3.265 -1.808 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -7.623 3.521 -2.968 1.00 0.00 N ATOM 0 H GLN A 73 -5.530 -0.833 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.248 1.137 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.956 1.002 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.242 1.786 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.484 2.905 -3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.717 3.706 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.092 3.501 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.151 3.749 -2.126 1.00 0.00 H new ATOM 1132 N PRO A 74 -8.123 -0.164 -6.207 1.00 0.00 N ATOM 1133 CA PRO A 74 -9.296 -0.620 -6.974 1.00 0.00 C ATOM 1134 C PRO A 74 -9.909 -1.922 -6.410 1.00 0.00 C ATOM 1135 O PRO A 74 -11.079 -2.221 -6.654 1.00 0.00 O ATOM 1136 CB PRO A 74 -8.781 -0.807 -8.410 1.00 0.00 C ATOM 1137 CG PRO A 74 -7.341 -1.274 -8.200 1.00 0.00 C ATOM 1138 CD PRO A 74 -6.913 -0.586 -6.902 1.00 0.00 C ATOM 0 HA PRO A 74 -10.109 0.104 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.369 -1.544 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.825 0.122 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.282 -2.359 -8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.702 -0.985 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.333 -1.268 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.275 0.272 -7.116 1.00 0.00 H new ATOM 1146 N ASP A 75 -9.094 -2.699 -5.668 1.00 0.00 N ATOM 1147 CA ASP A 75 -9.339 -4.102 -5.307 1.00 0.00 C ATOM 1148 C ASP A 75 -9.262 -5.017 -6.547 1.00 0.00 C ATOM 1149 O ASP A 75 -10.223 -5.728 -6.853 1.00 0.00 O ATOM 1150 CB ASP A 75 -10.712 -4.209 -4.603 1.00 0.00 C ATOM 1151 CG ASP A 75 -10.819 -5.411 -3.658 1.00 0.00 C ATOM 1152 OD1 ASP A 75 -9.994 -6.337 -3.813 1.00 0.00 O ATOM 1153 OD2 ASP A 75 -11.721 -5.383 -2.791 1.00 0.00 O ATOM 0 H ASP A 75 -8.213 -2.348 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.563 -4.440 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.895 -3.295 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.495 -4.279 -5.358 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.130 -4.984 -7.283 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.013 -5.499 -8.658 1.00 0.00 C ATOM 1160 C LYS A 76 -7.247 -6.839 -8.659 1.00 0.00 C ATOM 1161 O LYS A 76 -6.465 -7.111 -9.571 1.00 0.00 O ATOM 1162 CB LYS A 76 -7.334 -4.439 -9.554 1.00 0.00 C ATOM 1163 CG LYS A 76 -7.248 -4.861 -11.032 1.00 0.00 C ATOM 1164 CD LYS A 76 -7.961 -3.862 -11.957 1.00 0.00 C ATOM 1165 CE LYS A 76 -9.356 -4.380 -12.337 1.00 0.00 C ATOM 1166 NZ LYS A 76 -9.732 -3.995 -13.709 1.00 0.00 N ATOM 0 H LYS A 76 -7.258 -4.591 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.005 -5.693 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.887 -3.503 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.329 -4.245 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.201 -4.944 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.692 -5.849 -11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.049 -2.896 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.368 -3.704 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.377 -5.466 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.092 -3.988 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.680 -4.364 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.737 -2.958 -13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.044 -4.391 -14.381 1.00 0.00 H new ATOM 1180 N ALA A 77 -7.464 -7.669 -7.619 1.00 0.00 N ATOM 1181 CA ALA A 77 -7.011 -9.064 -7.527 1.00 0.00 C ATOM 1182 C ALA A 77 -7.885 -9.995 -8.396 1.00 0.00 C ATOM 1183 O ALA A 77 -8.949 -9.588 -8.866 1.00 0.00 O ATOM 1184 CB ALA A 77 -7.031 -9.521 -6.059 1.00 0.00 C ATOM 0 H ALA A 77 -7.979 -7.371 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.991 -9.121 -7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.694 -10.556 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.367 -8.887 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.046 -9.445 -5.668 1.00 0.00 H new ATOM 1190 N ASN A 78 -7.435 -11.248 -8.596 1.00 0.00 N ATOM 1191 CA ASN A 78 -8.042 -12.245 -9.489 1.00 0.00 C ATOM 1192 C ASN A 78 -7.705 -13.683 -9.022 1.00 0.00 C ATOM 1193 O ASN A 78 -6.955 -13.837 -8.056 1.00 0.00 O ATOM 1194 CB ASN A 78 -7.537 -12.030 -10.932 1.00 0.00 C ATOM 1195 CG ASN A 78 -6.133 -11.418 -10.997 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -5.260 -11.765 -10.203 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -5.910 -10.499 -11.941 1.00 0.00 N ATOM 0 H ASN A 78 -6.606 -11.604 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.124 -12.120 -9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.534 -12.986 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.234 -11.380 -11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.992 -10.061 -12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.658 -10.235 -12.583 1.00 0.00 H new ATOM 1204 N PRO A 79 -8.202 -14.748 -9.700 1.00 0.00 N ATOM 1205 CA PRO A 79 -7.697 -16.125 -9.567 1.00 0.00 C ATOM 1206 C PRO A 79 -6.154 -16.196 -9.631 1.00 0.00 C ATOM 1207 O PRO A 79 -5.573 -16.046 -10.705 1.00 0.00 O ATOM 1208 CB PRO A 79 -8.343 -16.907 -10.722 1.00 0.00 C ATOM 1209 CG PRO A 79 -9.662 -16.168 -10.945 1.00 0.00 C ATOM 1210 CD PRO A 79 -9.261 -14.713 -10.704 1.00 0.00 C ATOM 0 HA PRO A 79 -7.956 -16.544 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.719 -16.896 -11.615 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.506 -17.952 -10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.050 -16.322 -11.952 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.436 -16.497 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.910 -14.247 -11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.111 -14.127 -10.354 1.00 0.00 H new ATOM 1218 N ARG A 80 -5.501 -16.400 -8.476 1.00 0.00 N ATOM 1219 CA ARG A 80 -4.073 -16.661 -8.234 1.00 0.00 C ATOM 1220 C ARG A 80 -3.345 -17.575 -9.252 1.00 0.00 C ATOM 1221 O ARG A 80 -3.778 -17.848 -10.367 1.00 0.00 O ATOM 1222 CB ARG A 80 -3.935 -17.296 -6.815 1.00 0.00 C ATOM 1223 CG ARG A 80 -3.954 -18.831 -6.825 1.00 0.00 C ATOM 1224 CD ARG A 80 -4.849 -19.392 -5.711 1.00 0.00 C ATOM 1225 NE ARG A 80 -5.979 -20.145 -6.274 1.00 0.00 N ATOM 1226 CZ ARG A 80 -7.276 -19.792 -6.211 1.00 0.00 C ATOM 1227 NH1 ARG A 80 -7.654 -18.598 -5.728 1.00 0.00 N ATOM 1228 NH2 ARG A 80 -8.212 -20.653 -6.636 1.00 0.00 N ATOM 0 H ARG A 80 -6.015 -16.384 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.585 -15.692 -8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.004 -16.955 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.747 -16.935 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.311 -19.185 -7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.939 -19.209 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.263 -20.041 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.223 -18.575 -5.094 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.760 -21.016 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.952 -17.936 -5.399 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.643 -18.353 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.938 -21.565 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.198 -20.396 -6.593 1.00 0.00 H new ATOM 1242 N GLN A 81 -2.167 -18.091 -8.801 1.00 0.00 N ATOM 1243 CA GLN A 81 -1.091 -18.733 -9.566 1.00 0.00 C ATOM 1244 C GLN A 81 -1.338 -18.688 -11.089 1.00 0.00 C ATOM 1245 O GLN A 81 -1.848 -19.652 -11.664 1.00 0.00 O ATOM 1246 CB GLN A 81 -0.929 -20.188 -9.066 1.00 0.00 C ATOM 1247 CG GLN A 81 0.250 -20.926 -9.728 1.00 0.00 C ATOM 1248 CD GLN A 81 1.636 -20.499 -9.223 1.00 0.00 C ATOM 1249 OE1 GLN A 81 2.084 -19.281 -9.541 1.00 0.00 O flip ATOM 1250 NE2 GLN A 81 2.302 -21.272 -8.535 1.00 0.00 N flip ATOM 0 H GLN A 81 -1.940 -18.059 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.168 -18.178 -9.399 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.785 -20.181 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.850 -20.738 -9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.131 -21.997 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.204 -20.764 -10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.936 -22.196 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.220 -20.988 -8.193 1.00 0.00 H new ATOM 1259 N HIS A 82 -0.959 -17.573 -11.744 1.00 0.00 N ATOM 1260 CA HIS A 82 -0.866 -17.428 -13.203 1.00 0.00 C ATOM 1261 C HIS A 82 0.572 -17.080 -13.649 1.00 0.00 C ATOM 1262 O HIS A 82 0.950 -17.358 -14.788 1.00 0.00 O ATOM 1263 CB HIS A 82 -1.881 -16.371 -13.704 1.00 0.00 C ATOM 1264 CG HIS A 82 -2.718 -16.845 -14.867 1.00 0.00 C ATOM 1265 ND1 HIS A 82 -2.785 -18.197 -15.211 1.00 0.00 N ATOM 1266 CD2 HIS A 82 -3.490 -16.127 -15.742 1.00 0.00 C ATOM 1267 CE1 HIS A 82 -3.587 -18.238 -16.278 1.00 0.00 C ATOM 1268 NE2 HIS A 82 -4.036 -17.024 -16.636 1.00 0.00 N ATOM 0 H HIS A 82 -0.700 -16.719 -11.249 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.117 -18.388 -13.655 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.540 -16.093 -12.882 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.341 -15.471 -13.998 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.643 -15.058 -15.733 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.846 -19.149 -16.797 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.658 -16.808 -17.415 1.00 0.00 H new ATOM 1276 N ARG A 83 1.351 -16.444 -12.753 1.00 0.00 N ATOM 1277 CA ARG A 83 2.569 -15.679 -13.059 1.00 0.00 C ATOM 1278 C ARG A 83 2.486 -15.058 -14.476 1.00 0.00 C ATOM 1279 O ARG A 83 3.343 -15.289 -15.327 1.00 0.00 O ATOM 1280 CB ARG A 83 3.804 -16.589 -12.904 1.00 0.00 C ATOM 1281 CG ARG A 83 4.416 -16.523 -11.496 1.00 0.00 C ATOM 1282 CD ARG A 83 5.827 -15.922 -11.522 1.00 0.00 C ATOM 1283 NE ARG A 83 6.569 -16.271 -10.301 1.00 0.00 N ATOM 1284 CZ ARG A 83 7.877 -16.044 -10.082 1.00 0.00 C ATOM 1285 NH1 ARG A 83 8.654 -15.477 -11.018 1.00 0.00 N ATOM 1286 NH2 ARG A 83 8.415 -16.389 -8.904 1.00 0.00 N ATOM 0 H ARG A 83 1.137 -16.451 -11.756 1.00 0.00 H new ATOM 0 HA ARG A 83 2.663 -14.853 -12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.522 -17.618 -13.125 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.557 -16.300 -13.637 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.776 -15.924 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.454 -17.525 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.366 -16.287 -12.396 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.763 -14.838 -11.616 1.00 0.00 H new ATOM 0 HE ARG A 83 6.045 -16.726 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.255 -15.209 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.643 -15.315 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.834 -16.819 -8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.405 -16.222 -8.727 1.00 0.00 H new ATOM 1300 N LEU A 84 1.409 -14.277 -14.707 1.00 0.00 N ATOM 1301 CA LEU A 84 0.944 -13.772 -16.006 1.00 0.00 C ATOM 1302 C LEU A 84 2.120 -13.371 -16.922 1.00 0.00 C ATOM 1303 O LEU A 84 2.805 -12.381 -16.657 1.00 0.00 O ATOM 1304 CB LEU A 84 0.010 -12.557 -15.797 1.00 0.00 C ATOM 1305 CG LEU A 84 -0.893 -12.194 -16.994 1.00 0.00 C ATOM 1306 CD1 LEU A 84 -0.486 -10.811 -17.527 1.00 0.00 C ATOM 1307 CD2 LEU A 84 -0.792 -13.219 -18.136 1.00 0.00 C ATOM 0 H LEU A 84 0.809 -13.967 -13.943 1.00 0.00 H new ATOM 0 HA LEU A 84 0.398 -14.579 -16.496 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.625 -12.754 -14.933 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.622 -11.689 -15.551 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.924 -12.192 -16.641 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.120 -10.546 -18.374 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.605 -10.068 -16.739 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.556 -10.837 -17.847 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.446 -12.918 -18.954 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.237 -13.266 -18.493 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.095 -14.201 -17.772 1.00 0.00 H new ATOM 1319 N ASP A 85 2.356 -14.151 -17.994 1.00 0.00 N ATOM 1320 CA ASP A 85 3.527 -14.077 -18.879 1.00 0.00 C ATOM 1321 C ASP A 85 3.252 -13.179 -20.104 1.00 0.00 C ATOM 1322 O ASP A 85 2.096 -12.880 -20.408 1.00 0.00 O ATOM 1323 CB ASP A 85 3.923 -15.511 -19.301 1.00 0.00 C ATOM 1324 CG ASP A 85 2.735 -16.394 -19.705 1.00 0.00 C ATOM 1325 OD1 ASP A 85 1.854 -15.874 -20.424 1.00 0.00 O ATOM 1326 OD2 ASP A 85 2.730 -17.575 -19.293 1.00 0.00 O ATOM 0 H ASP A 85 1.704 -14.882 -18.277 1.00 0.00 H new ATOM 0 HA ASP A 85 4.358 -13.619 -18.342 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.620 -15.453 -20.137 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.453 -15.988 -18.476 1.00 0.00 H new ATOM 1331 N LYS A 86 4.319 -12.769 -20.816 1.00 0.00 N ATOM 1332 CA LYS A 86 4.278 -12.204 -22.173 1.00 0.00 C ATOM 1333 C LYS A 86 3.979 -10.689 -22.125 1.00 0.00 C ATOM 1334 O LYS A 86 2.935 -10.279 -21.614 1.00 0.00 O ATOM 1335 CB LYS A 86 3.231 -12.961 -23.018 1.00 0.00 C ATOM 1336 CG LYS A 86 3.787 -13.403 -24.383 1.00 0.00 C ATOM 1337 CD LYS A 86 3.690 -14.920 -24.594 1.00 0.00 C ATOM 1338 CE LYS A 86 4.965 -15.601 -24.072 1.00 0.00 C ATOM 1339 NZ LYS A 86 4.797 -17.059 -23.945 1.00 0.00 N ATOM 0 H LYS A 86 5.268 -12.826 -20.445 1.00 0.00 H new ATOM 0 HA LYS A 86 5.254 -12.327 -22.643 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.888 -13.837 -22.467 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.362 -12.322 -23.173 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.240 -12.893 -25.177 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.829 -13.094 -24.465 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.817 -15.314 -24.073 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.556 -15.141 -25.653 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.793 -15.389 -24.749 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.230 -15.180 -23.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.679 -17.480 -23.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.024 -17.263 -23.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.569 -17.465 -24.875 1.00 0.00 H new ATOM 1353 N ILE A 87 4.891 -9.867 -22.677 1.00 0.00 N ATOM 1354 CA ILE A 87 4.679 -8.456 -23.030 1.00 0.00 C ATOM 1355 C ILE A 87 4.050 -7.725 -21.824 1.00 0.00 C ATOM 1356 O ILE A 87 2.835 -7.521 -21.786 1.00 0.00 O ATOM 1357 CB ILE A 87 3.783 -8.330 -24.292 1.00 0.00 C ATOM 1358 CG1 ILE A 87 4.337 -9.135 -25.490 1.00 0.00 C ATOM 1359 CG2 ILE A 87 3.614 -6.848 -24.688 1.00 0.00 C ATOM 1360 CD1 ILE A 87 5.855 -9.002 -25.685 1.00 0.00 C ATOM 0 H ILE A 87 5.835 -10.184 -22.897 1.00 0.00 H new ATOM 0 HA ILE A 87 5.637 -7.994 -23.268 1.00 0.00 H new ATOM 0 HB ILE A 87 2.811 -8.752 -24.035 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.090 -10.188 -25.352 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.834 -8.806 -26.399 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.983 -6.778 -25.574 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.148 -6.303 -23.867 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.591 -6.415 -24.903 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.165 -9.596 -26.545 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.110 -7.956 -25.856 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.369 -9.359 -24.793 1.00 0.00 H new ATOM 1372 N THR A 88 4.884 -7.318 -20.848 1.00 0.00 N ATOM 1373 CA THR A 88 4.476 -6.746 -19.557 1.00 0.00 C ATOM 1374 C THR A 88 3.698 -5.431 -19.782 1.00 0.00 C ATOM 1375 O THR A 88 2.702 -5.176 -19.104 1.00 0.00 O ATOM 1376 CB THR A 88 5.718 -6.530 -18.661 1.00 0.00 C ATOM 1377 OG1 THR A 88 5.344 -6.550 -17.296 1.00 0.00 O ATOM 1378 CG2 THR A 88 6.436 -5.198 -18.940 1.00 0.00 C ATOM 0 H THR A 88 5.897 -7.382 -20.944 1.00 0.00 H new ATOM 0 HA THR A 88 3.811 -7.440 -19.044 1.00 0.00 H new ATOM 0 HB THR A 88 6.405 -7.344 -18.894 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.138 -6.414 -16.737 1.00 0.00 H new ATOM 0 HG21 THR A 88 7.299 -5.105 -18.280 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.769 -5.174 -19.978 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.750 -4.370 -18.760 1.00 0.00 H new ATOM 1386 N HIS A 89 4.149 -4.608 -20.748 1.00 0.00 N ATOM 1387 CA HIS A 89 3.557 -3.314 -21.114 1.00 0.00 C ATOM 1388 C HIS A 89 3.774 -2.997 -22.609 1.00 0.00 C ATOM 1389 O HIS A 89 2.887 -3.235 -23.430 1.00 0.00 O ATOM 1390 CB HIS A 89 4.120 -2.192 -20.208 1.00 0.00 C ATOM 1391 CG HIS A 89 3.627 -0.815 -20.583 1.00 0.00 C ATOM 1392 ND1 HIS A 89 2.292 -0.447 -20.406 1.00 0.00 N ATOM 1393 CD2 HIS A 89 4.311 0.245 -21.119 1.00 0.00 C ATOM 1394 CE1 HIS A 89 2.224 0.814 -20.842 1.00 0.00 C ATOM 1395 NE2 HIS A 89 3.407 1.275 -21.279 1.00 0.00 N ATOM 0 H HIS A 89 4.966 -4.838 -21.314 1.00 0.00 H new ATOM 0 HA HIS A 89 2.480 -3.373 -20.955 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.846 -2.399 -19.173 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.209 -2.206 -20.258 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.361 0.269 -21.369 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.316 1.399 -20.843 1.00 0.00 H new ATOM 0 HE2 HIS A 89 3.599 2.203 -21.655 1.00 0.00 H new ATOM 1403 N ALA A 90 4.956 -2.452 -22.957 1.00 0.00 N ATOM 1404 CA ALA A 90 5.411 -2.202 -24.332 1.00 0.00 C ATOM 1405 C ALA A 90 6.713 -2.979 -24.627 1.00 0.00 C ATOM 1406 O ALA A 90 6.669 -4.077 -25.184 1.00 0.00 O ATOM 1407 CB ALA A 90 5.629 -0.696 -24.554 1.00 0.00 C ATOM 0 H ALA A 90 5.643 -2.164 -22.260 1.00 0.00 H new ATOM 0 HA ALA A 90 4.640 -2.552 -25.018 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.966 -0.524 -25.576 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.692 -0.164 -24.386 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.383 -0.331 -23.857 1.00 0.00 H new ATOM 1413 N CYS A 91 7.871 -2.403 -24.249 1.00 0.00 N ATOM 1414 CA CYS A 91 9.216 -2.936 -24.508 1.00 0.00 C ATOM 1415 C CYS A 91 10.289 -1.881 -24.162 1.00 0.00 C ATOM 1416 O CYS A 91 10.150 -0.712 -24.526 1.00 0.00 O ATOM 1417 CB CYS A 91 9.321 -3.387 -25.979 1.00 0.00 C ATOM 1418 SG CYS A 91 11.045 -3.397 -26.556 1.00 0.00 S ATOM 0 H CYS A 91 7.892 -1.521 -23.736 1.00 0.00 H new ATOM 0 HA CYS A 91 9.391 -3.803 -23.871 1.00 0.00 H new ATOM 0 HB2 CYS A 91 8.896 -4.385 -26.085 1.00 0.00 H new ATOM 0 HB3 CYS A 91 8.730 -2.720 -26.607 1.00 0.00 H new ATOM 0 HG CYS A 91 11.085 -3.784 -27.796 1.00 0.00 H new ATOM 1424 N ARG A 92 11.362 -2.301 -23.464 1.00 0.00 N ATOM 1425 CA ARG A 92 12.522 -1.476 -23.100 1.00 0.00 C ATOM 1426 C ARG A 92 13.668 -1.704 -24.099 1.00 0.00 C ATOM 1427 O ARG A 92 14.429 -0.780 -24.385 1.00 0.00 O ATOM 1428 CB ARG A 92 12.962 -1.802 -21.644 1.00 0.00 C ATOM 1429 CG ARG A 92 11.871 -2.446 -20.744 1.00 0.00 C ATOM 1430 CD ARG A 92 12.324 -2.563 -19.279 1.00 0.00 C ATOM 1431 NE ARG A 92 11.583 -3.672 -18.610 1.00 0.00 N ATOM 1432 CZ ARG A 92 12.005 -4.347 -17.545 1.00 0.00 C ATOM 1433 NH1 ARG A 92 13.161 -4.149 -16.977 1.00 0.00 N ATOM 1434 NH2 ARG A 92 11.227 -5.253 -17.044 1.00 0.00 N ATOM 1435 OXT ARG A 92 13.850 -2.991 -24.695 1.00 0.00 O ATOM 0 H ARG A 92 11.444 -3.260 -23.127 1.00 0.00 H new ATOM 0 HA ARG A 92 12.248 -0.422 -23.144 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.819 -2.474 -21.684 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.302 -0.881 -21.171 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.961 -1.849 -20.795 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.624 -3.436 -21.127 1.00 0.00 H new ATOM 0 HD2 ARG A 92 13.397 -2.751 -19.234 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.142 -1.624 -18.756 1.00 0.00 H new ATOM 0 HE ARG A 92 10.678 -3.934 -19.002 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.798 -3.444 -17.348 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.429 -4.699 -16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.316 -5.433 -17.466 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.525 -5.786 -16.227 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 -1.163 -2.902 -1.855 1.00 0.00 ZN