USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 18 ASN : amide:sc= -1.17 K(o=1.2,f=-3.7!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -167:sc= 2.4 (180deg=2.05) USER MOD Set 2.1: A 9 ASN : amide:sc= -1.39! K(o=-0.73!,f=-5.1) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -134:sc= 0.659 (180deg=0) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0.912 USER MOD Set 3.2: A 32 THR OG1 : rot 91:sc= 1.82 USER MOD Set 3.3: A 58 LYS NZ :NH3+ 165:sc= 2.26 (180deg=0) USER MOD Set 4.1: A 20 SER OG : rot 2:sc= -0.278! USER MOD Set 4.2: A 39 MET CE :methyl -132:sc= 0 (180deg=-0.27) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 126:sc= 1.11 (180deg=0.114) USER MOD Single : A 2 SER OG : rot 40:sc= 0.0838 USER MOD Single : A 8 CYS SG : rot -19:sc= -2.35! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00156) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= 0.292 (180deg=-0.31) USER MOD Single : A 38 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -114:sc= 1.09 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.009 -18.168 -7.366 1.00 0.00 N ATOM 2 CA MET A 1 -10.580 -17.845 -7.585 1.00 0.00 C ATOM 3 C MET A 1 -10.068 -17.006 -6.427 1.00 0.00 C ATOM 4 O MET A 1 -10.172 -15.778 -6.438 1.00 0.00 O ATOM 5 CB MET A 1 -10.384 -17.089 -8.906 1.00 0.00 C ATOM 6 CG MET A 1 -10.902 -17.826 -10.132 1.00 0.00 C ATOM 7 SD MET A 1 -12.705 -17.883 -10.212 1.00 0.00 S ATOM 8 CE MET A 1 -12.953 -18.785 -11.740 1.00 0.00 C ATOM 0 H1 MET A 1 -12.562 -17.876 -8.197 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.115 -19.192 -7.222 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.354 -17.662 -6.525 1.00 0.00 H new ATOM 0 HA MET A 1 -10.017 -18.777 -7.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.887 -16.124 -8.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.322 -16.886 -9.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.519 -17.340 -11.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.512 -18.844 -10.129 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.021 -18.900 -11.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.499 -18.236 -12.565 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.490 -19.769 -11.661 1.00 0.00 H new ATOM 20 N SER A 2 -9.529 -17.671 -5.421 1.00 0.00 N ATOM 21 CA SER A 2 -9.153 -17.003 -4.192 1.00 0.00 C ATOM 22 C SER A 2 -7.795 -16.320 -4.301 1.00 0.00 C ATOM 23 O SER A 2 -6.773 -16.970 -4.535 1.00 0.00 O ATOM 24 CB SER A 2 -9.159 -18.002 -3.033 1.00 0.00 C ATOM 25 OG SER A 2 -8.433 -19.179 -3.358 1.00 0.00 O ATOM 0 H SER A 2 -9.342 -18.674 -5.433 1.00 0.00 H new ATOM 0 HA SER A 2 -9.889 -16.222 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.724 -17.537 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.187 -18.264 -2.782 1.00 0.00 H new ATOM 0 HG SER A 2 -7.626 -18.938 -3.859 1.00 0.00 H new ATOM 31 N ILE A 3 -7.804 -15.004 -4.151 1.00 0.00 N ATOM 32 CA ILE A 3 -6.582 -14.224 -4.037 1.00 0.00 C ATOM 33 C ILE A 3 -6.773 -13.163 -2.964 1.00 0.00 C ATOM 34 O ILE A 3 -6.861 -11.965 -3.231 1.00 0.00 O ATOM 35 CB ILE A 3 -6.129 -13.570 -5.367 1.00 0.00 C ATOM 36 CG1 ILE A 3 -7.240 -12.714 -5.980 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.672 -14.636 -6.348 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.764 -11.872 -7.143 1.00 0.00 C ATOM 0 H ILE A 3 -8.658 -14.448 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.784 -14.915 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.290 -12.910 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.048 -13.364 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.654 -12.061 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.356 -14.163 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.836 -15.190 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.495 -15.321 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.597 -11.288 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.976 -11.199 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.376 -12.522 -7.928 1.00 0.00 H new ATOM 50 N GLU A 4 -6.879 -13.632 -1.741 1.00 0.00 N ATOM 51 CA GLU A 4 -7.178 -12.766 -0.622 1.00 0.00 C ATOM 52 C GLU A 4 -5.936 -12.052 -0.133 1.00 0.00 C ATOM 53 O GLU A 4 -5.181 -12.572 0.689 1.00 0.00 O ATOM 54 CB GLU A 4 -7.814 -13.566 0.502 1.00 0.00 C ATOM 55 CG GLU A 4 -9.164 -14.128 0.124 1.00 0.00 C ATOM 56 CD GLU A 4 -9.501 -15.384 0.881 1.00 0.00 C ATOM 57 OE1 GLU A 4 -9.760 -15.302 2.099 1.00 0.00 O ATOM 58 OE2 GLU A 4 -9.518 -16.461 0.252 1.00 0.00 O ATOM 0 H GLU A 4 -6.762 -14.615 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.885 -12.007 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.150 -14.384 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.923 -12.929 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.932 -13.377 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.180 -14.338 -0.946 1.00 0.00 H new ATOM 65 N VAL A 5 -5.724 -10.868 -0.662 1.00 0.00 N ATOM 66 CA VAL A 5 -4.616 -10.041 -0.243 1.00 0.00 C ATOM 67 C VAL A 5 -5.042 -9.198 0.950 1.00 0.00 C ATOM 68 O VAL A 5 -6.086 -8.551 0.912 1.00 0.00 O ATOM 69 CB VAL A 5 -4.143 -9.113 -1.376 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.736 -8.630 -1.095 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.220 -9.808 -2.729 1.00 0.00 C ATOM 0 H VAL A 5 -6.309 -10.454 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.788 -10.696 0.028 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.809 -8.251 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.409 -7.974 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.721 -8.082 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.064 -9.486 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.879 -9.126 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.586 -10.694 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.250 -10.102 -2.929 1.00 0.00 H new ATOM 81 N ARG A 6 -4.255 -9.224 2.013 1.00 0.00 N ATOM 82 CA ARG A 6 -4.594 -8.483 3.222 1.00 0.00 C ATOM 83 C ARG A 6 -3.385 -7.691 3.712 1.00 0.00 C ATOM 84 O ARG A 6 -2.251 -8.008 3.359 1.00 0.00 O ATOM 85 CB ARG A 6 -5.080 -9.426 4.334 1.00 0.00 C ATOM 86 CG ARG A 6 -6.155 -10.413 3.904 1.00 0.00 C ATOM 87 CD ARG A 6 -5.584 -11.813 3.734 1.00 0.00 C ATOM 88 NE ARG A 6 -6.628 -12.818 3.527 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.499 -14.101 3.873 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.381 -14.525 4.452 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.483 -14.965 3.641 1.00 0.00 N ATOM 0 H ARG A 6 -3.381 -9.747 2.066 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.403 -7.795 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.226 -9.984 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.465 -8.826 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.953 -10.431 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.600 -10.083 2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.900 -11.823 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.001 -12.075 4.617 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.503 -12.522 3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.620 -13.870 4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.284 -15.505 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.345 -14.649 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.376 -15.943 3.909 1.00 0.00 H new ATOM 105 N ASP A 7 -3.634 -6.660 4.514 1.00 0.00 N ATOM 106 CA ASP A 7 -2.557 -5.823 5.049 1.00 0.00 C ATOM 107 C ASP A 7 -1.868 -6.519 6.224 1.00 0.00 C ATOM 108 O ASP A 7 -2.143 -7.685 6.514 1.00 0.00 O ATOM 109 CB ASP A 7 -3.103 -4.458 5.503 1.00 0.00 C ATOM 110 CG ASP A 7 -3.613 -4.464 6.933 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.584 -5.187 7.226 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.016 -3.763 7.779 1.00 0.00 O ATOM 0 H ASP A 7 -4.570 -6.382 4.809 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.829 -5.665 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.317 -3.709 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.912 -4.157 4.837 1.00 0.00 H new ATOM 117 N CYS A 8 -0.986 -5.790 6.902 1.00 0.00 N ATOM 118 CA CYS A 8 -0.252 -6.319 8.046 1.00 0.00 C ATOM 119 C CYS A 8 -1.195 -6.799 9.152 1.00 0.00 C ATOM 120 O CYS A 8 -0.860 -7.715 9.908 1.00 0.00 O ATOM 121 CB CYS A 8 0.695 -5.252 8.593 1.00 0.00 C ATOM 122 SG CYS A 8 -0.136 -3.737 9.126 1.00 0.00 S ATOM 0 H CYS A 8 -0.761 -4.821 6.675 1.00 0.00 H new ATOM 0 HA CYS A 8 0.323 -7.180 7.705 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.247 -5.668 9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.427 -5.002 7.825 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.317 -3.677 8.587 1.00 0.00 H new ATOM 128 N ASN A 9 -2.369 -6.181 9.260 1.00 0.00 N ATOM 129 CA ASN A 9 -3.348 -6.585 10.247 1.00 0.00 C ATOM 130 C ASN A 9 -4.178 -7.745 9.729 1.00 0.00 C ATOM 131 O ASN A 9 -4.451 -8.706 10.453 1.00 0.00 O ATOM 132 CB ASN A 9 -4.263 -5.417 10.607 1.00 0.00 C ATOM 133 CG ASN A 9 -3.588 -4.362 11.463 1.00 0.00 C ATOM 134 OD1 ASN A 9 -3.969 -3.195 11.438 1.00 0.00 O ATOM 135 ND2 ASN A 9 -2.578 -4.758 12.226 1.00 0.00 N ATOM 0 H ASN A 9 -2.659 -5.399 8.673 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.814 -6.903 11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.624 -4.953 9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.136 -5.799 11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.091 -4.085 12.817 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.288 -5.736 12.222 1.00 0.00 H new ATOM 142 N GLY A 10 -4.574 -7.654 8.473 1.00 0.00 N ATOM 143 CA GLY A 10 -5.372 -8.698 7.872 1.00 0.00 C ATOM 144 C GLY A 10 -6.600 -8.157 7.172 1.00 0.00 C ATOM 145 O GLY A 10 -7.535 -8.904 6.881 1.00 0.00 O ATOM 0 H GLY A 10 -4.356 -6.872 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.763 -9.250 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.679 -9.406 8.642 1.00 0.00 H new ATOM 149 N ALA A 11 -6.600 -6.861 6.901 1.00 0.00 N ATOM 150 CA ALA A 11 -7.690 -6.237 6.178 1.00 0.00 C ATOM 151 C ALA A 11 -7.528 -6.490 4.690 1.00 0.00 C ATOM 152 O ALA A 11 -6.470 -6.224 4.121 1.00 0.00 O ATOM 153 CB ALA A 11 -7.742 -4.745 6.467 1.00 0.00 C ATOM 0 H ALA A 11 -5.853 -6.222 7.173 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.631 -6.675 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.567 -4.296 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.891 -4.586 7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.805 -4.282 6.159 1.00 0.00 H new ATOM 159 N LEU A 12 -8.568 -7.027 4.079 1.00 0.00 N ATOM 160 CA LEU A 12 -8.541 -7.364 2.666 1.00 0.00 C ATOM 161 C LEU A 12 -8.403 -6.118 1.802 1.00 0.00 C ATOM 162 O LEU A 12 -9.111 -5.127 1.994 1.00 0.00 O ATOM 163 CB LEU A 12 -9.801 -8.141 2.295 1.00 0.00 C ATOM 164 CG LEU A 12 -9.808 -9.601 2.749 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.230 -10.141 2.796 1.00 0.00 C ATOM 166 CD2 LEU A 12 -8.962 -10.439 1.805 1.00 0.00 C ATOM 0 H LEU A 12 -9.450 -7.241 4.544 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.669 -7.990 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.664 -7.636 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.925 -8.111 1.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.386 -9.656 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.214 -11.181 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.820 -9.551 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.676 -10.078 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.971 -11.478 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.370 -10.374 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.938 -10.067 1.807 1.00 0.00 H new ATOM 178 N LEU A 13 -7.473 -6.181 0.863 1.00 0.00 N ATOM 179 CA LEU A 13 -7.222 -5.091 -0.058 1.00 0.00 C ATOM 180 C LEU A 13 -7.922 -5.359 -1.378 1.00 0.00 C ATOM 181 O LEU A 13 -8.327 -6.489 -1.655 1.00 0.00 O ATOM 182 CB LEU A 13 -5.718 -4.936 -0.298 1.00 0.00 C ATOM 183 CG LEU A 13 -4.905 -4.487 0.914 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.418 -4.630 0.637 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.240 -3.048 1.272 1.00 0.00 C ATOM 0 H LEU A 13 -6.871 -6.992 0.720 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.609 -4.170 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.323 -5.890 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.568 -4.216 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.163 -5.125 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.852 -4.306 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.187 -5.673 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.147 -4.014 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.653 -2.742 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.007 -2.399 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.301 -2.969 1.507 1.00 0.00 H new ATOM 197 N ALA A 14 -8.055 -4.327 -2.188 1.00 0.00 N ATOM 198 CA ALA A 14 -8.695 -4.454 -3.481 1.00 0.00 C ATOM 199 C ALA A 14 -8.213 -3.361 -4.420 1.00 0.00 C ATOM 200 O ALA A 14 -7.399 -2.520 -4.035 1.00 0.00 O ATOM 201 CB ALA A 14 -10.205 -4.402 -3.324 1.00 0.00 C ATOM 0 H ALA A 14 -7.726 -3.386 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.426 -5.417 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.676 -4.498 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.532 -5.219 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.492 -3.451 -2.875 1.00 0.00 H new ATOM 207 N ASP A 15 -8.702 -3.383 -5.651 1.00 0.00 N ATOM 208 CA ASP A 15 -8.348 -2.363 -6.632 1.00 0.00 C ATOM 209 C ASP A 15 -8.914 -1.005 -6.222 1.00 0.00 C ATOM 210 O ASP A 15 -10.130 -0.822 -6.153 1.00 0.00 O ATOM 211 CB ASP A 15 -8.864 -2.755 -8.019 1.00 0.00 C ATOM 212 CG ASP A 15 -8.615 -1.685 -9.065 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.524 -1.675 -9.668 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.520 -0.861 -9.304 1.00 0.00 O ATOM 0 H ASP A 15 -9.345 -4.095 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.261 -2.287 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.382 -3.681 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.934 -2.956 -7.960 1.00 0.00 H new ATOM 219 N GLY A 16 -8.025 -0.066 -5.938 1.00 0.00 N ATOM 220 CA GLY A 16 -8.448 1.261 -5.539 1.00 0.00 C ATOM 221 C GLY A 16 -8.302 1.492 -4.048 1.00 0.00 C ATOM 222 O GLY A 16 -8.854 2.449 -3.507 1.00 0.00 O ATOM 0 H GLY A 16 -7.014 -0.199 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.860 2.004 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.489 1.409 -5.826 1.00 0.00 H new ATOM 226 N ASP A 17 -7.561 0.612 -3.386 1.00 0.00 N ATOM 227 CA ASP A 17 -7.329 0.733 -1.950 1.00 0.00 C ATOM 228 C ASP A 17 -6.055 1.532 -1.696 1.00 0.00 C ATOM 229 O ASP A 17 -5.335 1.883 -2.634 1.00 0.00 O ATOM 230 CB ASP A 17 -7.208 -0.650 -1.307 1.00 0.00 C ATOM 231 CG ASP A 17 -7.711 -0.673 0.125 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.099 -0.014 0.991 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.722 -1.351 0.390 1.00 0.00 O ATOM 0 H ASP A 17 -7.110 -0.194 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.177 1.253 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.771 -1.372 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.165 -0.966 -1.327 1.00 0.00 H new ATOM 238 N ASN A 18 -5.778 1.828 -0.438 1.00 0.00 N ATOM 239 CA ASN A 18 -4.584 2.562 -0.073 1.00 0.00 C ATOM 240 C ASN A 18 -3.879 1.924 1.110 1.00 0.00 C ATOM 241 O ASN A 18 -4.505 1.516 2.088 1.00 0.00 O ATOM 242 CB ASN A 18 -4.910 4.023 0.235 1.00 0.00 C ATOM 243 CG ASN A 18 -6.019 4.222 1.256 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.867 3.358 1.484 1.00 0.00 O ATOM 245 ND2 ASN A 18 -6.035 5.402 1.840 1.00 0.00 N ATOM 0 H ASN A 18 -6.370 1.568 0.351 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.911 2.528 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.007 4.514 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.194 4.522 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.769 5.629 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.313 6.089 1.622 1.00 0.00 H new ATOM 252 N VAL A 19 -2.562 1.849 1.011 1.00 0.00 N ATOM 253 CA VAL A 19 -1.739 1.275 2.061 1.00 0.00 C ATOM 254 C VAL A 19 -0.650 2.256 2.472 1.00 0.00 C ATOM 255 O VAL A 19 -0.530 3.339 1.899 1.00 0.00 O ATOM 256 CB VAL A 19 -1.085 -0.057 1.627 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.142 -1.114 1.347 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.194 0.146 0.410 1.00 0.00 C ATOM 0 H VAL A 19 -2.036 2.183 0.204 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.397 1.070 2.905 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.462 -0.408 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.657 -2.042 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.729 -1.289 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.798 -0.769 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.254 -0.806 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.791 0.529 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.593 0.860 0.651 1.00 0.00 H new ATOM 268 N SER A 20 0.123 1.893 3.478 1.00 0.00 N ATOM 269 CA SER A 20 1.238 2.712 3.923 1.00 0.00 C ATOM 270 C SER A 20 2.314 1.850 4.581 1.00 0.00 C ATOM 271 O SER A 20 2.037 0.744 5.045 1.00 0.00 O ATOM 272 CB SER A 20 0.750 3.792 4.895 1.00 0.00 C ATOM 273 OG SER A 20 -0.208 4.639 4.283 1.00 0.00 O ATOM 0 H SER A 20 -0.001 1.030 4.007 1.00 0.00 H new ATOM 0 HA SER A 20 1.676 3.198 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.313 3.321 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.597 4.386 5.238 1.00 0.00 H new ATOM 0 HG SER A 20 -0.382 4.330 3.369 1.00 0.00 H new ATOM 279 N LEU A 21 3.537 2.362 4.590 1.00 0.00 N ATOM 280 CA LEU A 21 4.679 1.681 5.198 1.00 0.00 C ATOM 281 C LEU A 21 4.528 1.588 6.712 1.00 0.00 C ATOM 282 O LEU A 21 4.305 2.602 7.377 1.00 0.00 O ATOM 283 CB LEU A 21 5.969 2.441 4.865 1.00 0.00 C ATOM 284 CG LEU A 21 6.656 2.063 3.550 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.286 0.693 3.670 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.683 2.101 2.380 1.00 0.00 C ATOM 0 H LEU A 21 3.769 3.264 4.175 1.00 0.00 H new ATOM 0 HA LEU A 21 4.723 0.670 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.742 3.507 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.678 2.286 5.679 1.00 0.00 H new ATOM 0 HG LEU A 21 7.436 2.799 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.772 0.433 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.025 0.701 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.515 -0.044 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.205 1.827 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.871 1.396 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.275 3.107 2.279 1.00 0.00 H new ATOM 298 N ILE A 22 4.661 0.380 7.258 1.00 0.00 N ATOM 299 CA ILE A 22 4.586 0.198 8.709 1.00 0.00 C ATOM 300 C ILE A 22 5.973 0.260 9.321 1.00 0.00 C ATOM 301 O ILE A 22 6.132 0.309 10.536 1.00 0.00 O ATOM 302 CB ILE A 22 3.922 -1.140 9.110 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.792 -2.331 8.699 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.541 -1.250 8.488 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.266 -3.667 9.186 1.00 0.00 C ATOM 0 H ILE A 22 4.819 -0.477 6.728 1.00 0.00 H new ATOM 0 HA ILE A 22 3.965 1.009 9.089 1.00 0.00 H new ATOM 0 HB ILE A 22 3.820 -1.157 10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.869 -2.355 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.800 -2.184 9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.085 -2.197 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.919 -0.426 8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.626 -1.207 7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.934 -4.463 8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.215 -3.663 10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.270 -3.837 8.777 1.00 0.00 H new ATOM 317 N LYS A 23 6.976 0.252 8.466 1.00 0.00 N ATOM 318 CA LYS A 23 8.357 0.340 8.899 1.00 0.00 C ATOM 319 C LYS A 23 9.119 1.203 7.920 1.00 0.00 C ATOM 320 O LYS A 23 8.535 1.771 7.000 1.00 0.00 O ATOM 321 CB LYS A 23 9.020 -1.039 8.931 1.00 0.00 C ATOM 322 CG LYS A 23 8.217 -2.117 9.626 1.00 0.00 C ATOM 323 CD LYS A 23 8.766 -3.495 9.302 1.00 0.00 C ATOM 324 CE LYS A 23 10.244 -3.619 9.637 1.00 0.00 C ATOM 325 NZ LYS A 23 10.705 -5.031 9.589 1.00 0.00 N ATOM 0 H LYS A 23 6.858 0.185 7.455 1.00 0.00 H new ATOM 0 HA LYS A 23 8.373 0.764 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.215 -1.356 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.987 -0.950 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.241 -1.956 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.173 -2.055 9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.205 -4.247 9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.617 -3.704 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.827 -3.022 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.427 -3.211 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.717 -5.074 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.166 -5.596 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.554 -5.413 8.634 1.00 0.00 H new ATOM 339 N ASP A 24 10.415 1.279 8.109 1.00 0.00 N ATOM 340 CA ASP A 24 11.276 1.939 7.149 1.00 0.00 C ATOM 341 C ASP A 24 11.916 0.880 6.261 1.00 0.00 C ATOM 342 O ASP A 24 12.934 0.285 6.618 1.00 0.00 O ATOM 343 CB ASP A 24 12.356 2.761 7.853 1.00 0.00 C ATOM 344 CG ASP A 24 11.817 3.528 9.045 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.192 4.582 8.846 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.024 3.081 10.192 1.00 0.00 O ATOM 0 H ASP A 24 10.900 0.892 8.919 1.00 0.00 H new ATOM 0 HA ASP A 24 10.681 2.624 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.155 2.098 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.796 3.461 7.143 1.00 0.00 H new ATOM 351 N LEU A 25 11.295 0.625 5.121 1.00 0.00 N ATOM 352 CA LEU A 25 11.745 -0.431 4.223 1.00 0.00 C ATOM 353 C LEU A 25 12.494 0.156 3.043 1.00 0.00 C ATOM 354 O LEU A 25 11.915 0.818 2.187 1.00 0.00 O ATOM 355 CB LEU A 25 10.571 -1.274 3.702 1.00 0.00 C ATOM 356 CG LEU A 25 9.881 -2.204 4.711 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.889 -3.083 5.434 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.053 -1.419 5.706 1.00 0.00 C ATOM 0 H LEU A 25 10.475 1.135 4.793 1.00 0.00 H new ATOM 0 HA LEU A 25 12.409 -1.077 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.820 -0.596 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.932 -1.882 2.872 1.00 0.00 H new ATOM 0 HG LEU A 25 9.210 -2.852 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.368 -3.729 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.424 -3.696 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.599 -2.455 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.578 -2.106 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.698 -0.731 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.287 -0.854 5.176 1.00 0.00 H new ATOM 370 N LYS A 26 13.783 -0.088 3.002 1.00 0.00 N ATOM 371 CA LYS A 26 14.602 0.394 1.913 1.00 0.00 C ATOM 372 C LYS A 26 14.614 -0.610 0.769 1.00 0.00 C ATOM 373 O LYS A 26 14.755 -1.818 0.972 1.00 0.00 O ATOM 374 CB LYS A 26 16.015 0.676 2.416 1.00 0.00 C ATOM 375 CG LYS A 26 17.010 1.115 1.345 1.00 0.00 C ATOM 376 CD LYS A 26 17.771 -0.071 0.767 1.00 0.00 C ATOM 377 CE LYS A 26 18.592 -0.776 1.838 1.00 0.00 C ATOM 378 NZ LYS A 26 19.105 -2.093 1.377 1.00 0.00 N ATOM 0 H LYS A 26 14.289 -0.619 3.711 1.00 0.00 H new ATOM 0 HA LYS A 26 14.180 1.324 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.963 1.451 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.398 -0.223 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.480 1.633 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.716 1.827 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.068 -0.775 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.429 0.271 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.431 -0.142 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.979 -0.918 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.658 -2.536 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.305 -2.709 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.712 -1.957 0.543 1.00 0.00 H new ATOM 392 N LEU A 27 14.451 -0.086 -0.421 1.00 0.00 N ATOM 393 CA LEU A 27 14.459 -0.863 -1.642 1.00 0.00 C ATOM 394 C LEU A 27 15.787 -0.667 -2.356 1.00 0.00 C ATOM 395 O LEU A 27 16.350 0.430 -2.341 1.00 0.00 O ATOM 396 CB LEU A 27 13.305 -0.417 -2.548 1.00 0.00 C ATOM 397 CG LEU A 27 11.902 -0.749 -2.040 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.857 -0.286 -3.042 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.760 -2.242 -1.780 1.00 0.00 C ATOM 0 H LEU A 27 14.306 0.912 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 27 14.332 -1.919 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.375 0.661 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.436 -0.878 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 27 11.745 -0.222 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.862 -0.528 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.939 0.792 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.019 -0.789 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.754 -2.454 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.937 -2.791 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.487 -2.551 -1.029 1.00 0.00 H new ATOM 411 N LYS A 28 16.291 -1.724 -2.969 1.00 0.00 N ATOM 412 CA LYS A 28 17.562 -1.655 -3.673 1.00 0.00 C ATOM 413 C LYS A 28 17.402 -0.870 -4.971 1.00 0.00 C ATOM 414 O LYS A 28 18.314 -0.161 -5.399 1.00 0.00 O ATOM 415 CB LYS A 28 18.095 -3.063 -3.952 1.00 0.00 C ATOM 416 CG LYS A 28 19.514 -3.084 -4.499 1.00 0.00 C ATOM 417 CD LYS A 28 20.075 -4.497 -4.541 1.00 0.00 C ATOM 418 CE LYS A 28 21.524 -4.511 -5.002 1.00 0.00 C ATOM 419 NZ LYS A 28 21.661 -4.184 -6.445 1.00 0.00 N ATOM 0 H LYS A 28 15.841 -2.639 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 28 18.285 -1.136 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.062 -3.643 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.434 -3.558 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.525 -2.657 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.153 -2.456 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.003 -4.947 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.473 -5.108 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.097 -3.794 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.954 -5.495 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.664 -4.223 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.123 -4.872 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.292 -3.228 -6.621 1.00 0.00 H new ATOM 433 N GLY A 29 16.225 -0.983 -5.576 1.00 0.00 N ATOM 434 CA GLY A 29 15.937 -0.249 -6.790 1.00 0.00 C ATOM 435 C GLY A 29 15.891 1.247 -6.552 1.00 0.00 C ATOM 436 O GLY A 29 15.028 1.743 -5.818 1.00 0.00 O ATOM 0 H GLY A 29 15.463 -1.574 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.697 -0.474 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.982 -0.581 -7.196 1.00 0.00 H new ATOM 440 N SER A 30 16.846 1.960 -7.148 1.00 0.00 N ATOM 441 CA SER A 30 16.940 3.412 -7.028 1.00 0.00 C ATOM 442 C SER A 30 17.259 3.823 -5.585 1.00 0.00 C ATOM 443 O SER A 30 17.145 4.997 -5.222 1.00 0.00 O ATOM 444 CB SER A 30 15.636 4.064 -7.514 1.00 0.00 C ATOM 445 OG SER A 30 15.750 5.476 -7.590 1.00 0.00 O ATOM 0 H SER A 30 17.576 1.546 -7.728 1.00 0.00 H new ATOM 0 HA SER A 30 17.758 3.763 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.375 3.667 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.823 3.801 -6.837 1.00 0.00 H new ATOM 0 HG SER A 30 14.903 5.856 -7.904 1.00 0.00 H new ATOM 451 N SER A 31 17.676 2.847 -4.773 1.00 0.00 N ATOM 452 CA SER A 31 17.990 3.078 -3.363 1.00 0.00 C ATOM 453 C SER A 31 16.802 3.723 -2.649 1.00 0.00 C ATOM 454 O SER A 31 16.969 4.552 -1.752 1.00 0.00 O ATOM 455 CB SER A 31 19.233 3.964 -3.241 1.00 0.00 C ATOM 456 OG SER A 31 20.306 3.447 -4.015 1.00 0.00 O ATOM 0 H SER A 31 17.804 1.881 -5.074 1.00 0.00 H new ATOM 0 HA SER A 31 18.195 2.119 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.996 4.976 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.534 4.032 -2.196 1.00 0.00 H new ATOM 0 HG SER A 31 21.087 4.031 -3.922 1.00 0.00 H new ATOM 462 N THR A 32 15.605 3.321 -3.048 1.00 0.00 N ATOM 463 CA THR A 32 14.383 3.903 -2.525 1.00 0.00 C ATOM 464 C THR A 32 14.149 3.485 -1.073 1.00 0.00 C ATOM 465 O THR A 32 13.731 2.366 -0.803 1.00 0.00 O ATOM 466 CB THR A 32 13.184 3.466 -3.388 1.00 0.00 C ATOM 467 OG1 THR A 32 13.427 3.806 -4.762 1.00 0.00 O ATOM 468 CG2 THR A 32 11.895 4.119 -2.916 1.00 0.00 C ATOM 0 H THR A 32 15.456 2.586 -3.740 1.00 0.00 H new ATOM 0 HA THR A 32 14.484 4.988 -2.558 1.00 0.00 H new ATOM 0 HB THR A 32 13.071 2.386 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.860 3.052 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.069 3.790 -3.546 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.700 3.833 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.991 5.203 -2.981 1.00 0.00 H new ATOM 476 N VAL A 33 14.415 4.387 -0.142 1.00 0.00 N ATOM 477 CA VAL A 33 14.197 4.094 1.265 1.00 0.00 C ATOM 478 C VAL A 33 12.796 4.529 1.664 1.00 0.00 C ATOM 479 O VAL A 33 12.532 5.720 1.837 1.00 0.00 O ATOM 480 CB VAL A 33 15.219 4.803 2.178 1.00 0.00 C ATOM 481 CG1 VAL A 33 15.106 4.279 3.601 1.00 0.00 C ATOM 482 CG2 VAL A 33 16.633 4.624 1.650 1.00 0.00 C ATOM 0 H VAL A 33 14.779 5.321 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 33 14.321 3.019 1.394 1.00 0.00 H new ATOM 0 HB VAL A 33 14.995 5.870 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.833 4.787 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.101 4.466 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.303 3.207 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 33 17.335 5.133 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.875 3.562 1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.704 5.049 0.649 1.00 0.00 H new ATOM 492 N LEU A 34 11.900 3.568 1.781 1.00 0.00 N ATOM 493 CA LEU A 34 10.518 3.849 2.126 1.00 0.00 C ATOM 494 C LEU A 34 10.356 3.943 3.635 1.00 0.00 C ATOM 495 O LEU A 34 10.149 2.939 4.312 1.00 0.00 O ATOM 496 CB LEU A 34 9.607 2.763 1.561 1.00 0.00 C ATOM 497 CG LEU A 34 9.617 2.640 0.044 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.073 1.288 -0.388 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.806 3.764 -0.581 1.00 0.00 C ATOM 0 H LEU A 34 12.106 2.579 1.641 1.00 0.00 H new ATOM 0 HA LEU A 34 10.236 4.807 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.900 1.805 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.586 2.960 1.888 1.00 0.00 H new ATOM 0 HG LEU A 34 10.648 2.720 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.089 1.220 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.691 0.495 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.049 1.177 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.822 3.664 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.777 3.711 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.238 4.724 -0.299 1.00 0.00 H new ATOM 511 N LYS A 35 10.480 5.154 4.150 1.00 0.00 N ATOM 512 CA LYS A 35 10.377 5.401 5.581 1.00 0.00 C ATOM 513 C LYS A 35 8.985 5.088 6.102 1.00 0.00 C ATOM 514 O LYS A 35 8.011 5.053 5.346 1.00 0.00 O ATOM 515 CB LYS A 35 10.723 6.858 5.886 1.00 0.00 C ATOM 516 CG LYS A 35 12.214 7.151 5.881 1.00 0.00 C ATOM 517 CD LYS A 35 12.884 6.634 7.143 1.00 0.00 C ATOM 518 CE LYS A 35 12.283 7.260 8.395 1.00 0.00 C ATOM 519 NZ LYS A 35 12.898 6.721 9.632 1.00 0.00 N ATOM 0 H LYS A 35 10.654 5.991 3.593 1.00 0.00 H new ATOM 0 HA LYS A 35 11.084 4.741 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.234 7.499 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.314 7.122 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.674 6.689 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.375 8.226 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.781 5.550 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.951 6.851 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.420 8.341 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.209 7.076 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.879 7.449 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.364 5.887 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.883 6.449 9.440 1.00 0.00 H new ATOM 533 N ARG A 36 8.904 4.862 7.396 1.00 0.00 N ATOM 534 CA ARG A 36 7.647 4.566 8.051 1.00 0.00 C ATOM 535 C ARG A 36 6.661 5.712 7.866 1.00 0.00 C ATOM 536 O ARG A 36 6.991 6.876 8.099 1.00 0.00 O ATOM 537 CB ARG A 36 7.893 4.307 9.531 1.00 0.00 C ATOM 538 CG ARG A 36 6.668 3.819 10.284 1.00 0.00 C ATOM 539 CD ARG A 36 7.059 3.224 11.621 1.00 0.00 C ATOM 540 NE ARG A 36 5.944 3.213 12.571 1.00 0.00 N ATOM 541 CZ ARG A 36 5.605 2.162 13.318 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.233 1.008 13.173 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.629 2.267 14.208 1.00 0.00 N ATOM 0 H ARG A 36 9.708 4.878 8.024 1.00 0.00 H new ATOM 0 HA ARG A 36 7.213 3.674 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.688 3.568 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.250 5.226 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.977 4.647 10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.143 3.072 9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.417 2.205 11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.887 3.794 12.042 1.00 0.00 H new ATOM 0 HE ARG A 36 5.391 4.065 12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.982 0.918 12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.969 0.208 13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.136 3.153 14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.371 1.462 14.779 1.00 0.00 H new ATOM 557 N GLY A 37 5.458 5.376 7.433 1.00 0.00 N ATOM 558 CA GLY A 37 4.452 6.387 7.197 1.00 0.00 C ATOM 559 C GLY A 37 4.285 6.720 5.726 1.00 0.00 C ATOM 560 O GLY A 37 3.393 7.485 5.364 1.00 0.00 O ATOM 0 H GLY A 37 5.160 4.420 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.498 6.044 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.719 7.293 7.742 1.00 0.00 H new ATOM 564 N THR A 38 5.148 6.167 4.876 1.00 0.00 N ATOM 565 CA THR A 38 5.024 6.359 3.431 1.00 0.00 C ATOM 566 C THR A 38 3.681 5.826 2.941 1.00 0.00 C ATOM 567 O THR A 38 3.436 4.619 2.975 1.00 0.00 O ATOM 568 CB THR A 38 6.164 5.655 2.661 1.00 0.00 C ATOM 569 OG1 THR A 38 7.431 6.170 3.089 1.00 0.00 O ATOM 570 CG2 THR A 38 6.023 5.857 1.157 1.00 0.00 C ATOM 0 H THR A 38 5.937 5.586 5.160 1.00 0.00 H new ATOM 0 HA THR A 38 5.090 7.430 3.238 1.00 0.00 H new ATOM 0 HB THR A 38 6.103 4.588 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.714 5.706 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.840 5.350 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.072 5.444 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.056 6.922 0.928 1.00 0.00 H new ATOM 578 N MET A 39 2.811 6.723 2.504 1.00 0.00 N ATOM 579 CA MET A 39 1.483 6.330 2.066 1.00 0.00 C ATOM 580 C MET A 39 1.469 5.993 0.586 1.00 0.00 C ATOM 581 O MET A 39 1.742 6.839 -0.265 1.00 0.00 O ATOM 582 CB MET A 39 0.452 7.421 2.370 1.00 0.00 C ATOM 583 CG MET A 39 -0.877 7.209 1.653 1.00 0.00 C ATOM 584 SD MET A 39 -2.197 8.270 2.272 1.00 0.00 S ATOM 585 CE MET A 39 -2.664 7.384 3.755 1.00 0.00 C ATOM 0 H MET A 39 3.000 7.723 2.444 1.00 0.00 H new ATOM 0 HA MET A 39 1.210 5.435 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.276 7.456 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.862 8.389 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.741 7.394 0.587 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.178 6.167 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.748 7.277 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.202 6.397 3.750 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.326 7.938 4.631 1.00 0.00 H new ATOM 595 N ILE A 40 1.147 4.748 0.299 1.00 0.00 N ATOM 596 CA ILE A 40 0.985 4.290 -1.067 1.00 0.00 C ATOM 597 C ILE A 40 -0.501 4.100 -1.351 1.00 0.00 C ATOM 598 O ILE A 40 -1.077 3.051 -1.057 1.00 0.00 O ATOM 599 CB ILE A 40 1.747 2.968 -1.319 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.237 3.149 -1.014 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.549 2.496 -2.755 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.053 1.886 -1.195 1.00 0.00 C ATOM 0 H ILE A 40 0.991 4.027 1.003 1.00 0.00 H new ATOM 0 HA ILE A 40 1.404 5.040 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 40 1.344 2.205 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.640 3.927 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.349 3.499 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.094 1.565 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.488 2.331 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.924 3.254 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.098 2.091 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.677 1.111 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.972 1.546 -2.227 1.00 0.00 H new ATOM 614 N ARG A 41 -1.133 5.133 -1.883 1.00 0.00 N ATOM 615 CA ARG A 41 -2.569 5.098 -2.099 1.00 0.00 C ATOM 616 C ARG A 41 -2.901 4.872 -3.568 1.00 0.00 C ATOM 617 O ARG A 41 -2.228 5.390 -4.457 1.00 0.00 O ATOM 618 CB ARG A 41 -3.249 6.360 -1.530 1.00 0.00 C ATOM 619 CG ARG A 41 -2.460 7.666 -1.658 1.00 0.00 C ATOM 620 CD ARG A 41 -2.558 8.301 -3.040 1.00 0.00 C ATOM 621 NE ARG A 41 -1.481 7.874 -3.927 1.00 0.00 N ATOM 622 CZ ARG A 41 -0.347 8.552 -4.104 1.00 0.00 C ATOM 623 NH1 ARG A 41 -0.124 9.678 -3.432 1.00 0.00 N ATOM 624 NH2 ARG A 41 0.559 8.109 -4.962 1.00 0.00 N ATOM 0 H ARG A 41 -0.678 5.999 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.973 4.247 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.208 6.488 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.461 6.189 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.823 8.375 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.412 7.472 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.518 8.043 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.534 9.386 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.603 7.003 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.823 10.028 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.746 10.192 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.388 7.251 -5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.427 8.626 -5.099 1.00 0.00 H new ATOM 638 N GLY A 42 -3.920 4.063 -3.812 1.00 0.00 N ATOM 639 CA GLY A 42 -4.284 3.719 -5.168 1.00 0.00 C ATOM 640 C GLY A 42 -3.619 2.435 -5.616 1.00 0.00 C ATOM 641 O GLY A 42 -3.012 2.382 -6.686 1.00 0.00 O ATOM 0 H GLY A 42 -4.503 3.637 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.366 3.612 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.999 4.530 -5.838 1.00 0.00 H new ATOM 645 N ILE A 43 -3.729 1.403 -4.789 1.00 0.00 N ATOM 646 CA ILE A 43 -3.125 0.113 -5.079 1.00 0.00 C ATOM 647 C ILE A 43 -4.144 -0.797 -5.749 1.00 0.00 C ATOM 648 O ILE A 43 -5.331 -0.477 -5.804 1.00 0.00 O ATOM 649 CB ILE A 43 -2.568 -0.564 -3.795 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.688 -0.981 -2.828 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.604 0.373 -3.086 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.170 -2.408 -3.004 1.00 0.00 C ATOM 0 H ILE A 43 -4.236 1.438 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.286 0.282 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.044 -1.468 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.334 -0.854 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.534 -0.306 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.220 -0.111 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.775 0.614 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.125 1.290 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.959 -2.617 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.558 -2.539 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.339 -3.095 -2.842 1.00 0.00 H new ATOM 664 N ARG A 44 -3.680 -1.923 -6.255 1.00 0.00 N ATOM 665 CA ARG A 44 -4.552 -2.893 -6.895 1.00 0.00 C ATOM 666 C ARG A 44 -4.012 -4.300 -6.687 1.00 0.00 C ATOM 667 O ARG A 44 -2.815 -4.486 -6.445 1.00 0.00 O ATOM 668 CB ARG A 44 -4.676 -2.588 -8.390 1.00 0.00 C ATOM 669 CG ARG A 44 -3.338 -2.469 -9.096 1.00 0.00 C ATOM 670 CD ARG A 44 -3.507 -2.279 -10.594 1.00 0.00 C ATOM 671 NE ARG A 44 -2.223 -2.291 -11.290 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.050 -2.722 -12.537 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.085 -3.136 -13.262 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.833 -2.742 -13.058 1.00 0.00 N ATOM 0 H ARG A 44 -2.696 -2.191 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.542 -2.827 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.260 -3.375 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.230 -1.658 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.782 -1.627 -8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.746 -3.365 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.143 -3.070 -10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.016 -1.334 -10.786 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.405 -1.946 -10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.024 -3.125 -12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.940 -3.464 -14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.036 -2.428 -12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.693 -3.071 -14.013 1.00 0.00 H new ATOM 688 N LEU A 45 -4.894 -5.285 -6.767 1.00 0.00 N ATOM 689 CA LEU A 45 -4.490 -6.673 -6.613 1.00 0.00 C ATOM 690 C LEU A 45 -3.816 -7.154 -7.889 1.00 0.00 C ATOM 691 O LEU A 45 -4.291 -6.883 -8.993 1.00 0.00 O ATOM 692 CB LEU A 45 -5.693 -7.565 -6.285 1.00 0.00 C ATOM 693 CG LEU A 45 -6.541 -7.116 -5.092 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.606 -8.151 -4.775 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.677 -6.847 -3.870 1.00 0.00 C ATOM 0 H LEU A 45 -5.890 -5.149 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.786 -6.737 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.334 -7.618 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.332 -8.575 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.033 -6.183 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.199 -7.814 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.255 -8.282 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.129 -9.101 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.309 -6.530 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.144 -7.757 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.958 -6.061 -4.099 1.00 0.00 H new ATOM 707 N THR A 46 -2.706 -7.851 -7.737 1.00 0.00 N ATOM 708 CA THR A 46 -1.935 -8.308 -8.880 1.00 0.00 C ATOM 709 C THR A 46 -2.437 -9.651 -9.378 1.00 0.00 C ATOM 710 O THR A 46 -3.064 -9.759 -10.432 1.00 0.00 O ATOM 711 CB THR A 46 -0.441 -8.422 -8.514 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.291 -9.140 -7.278 1.00 0.00 O ATOM 713 CG2 THR A 46 0.193 -7.048 -8.381 1.00 0.00 C ATOM 0 H THR A 46 -2.317 -8.114 -6.832 1.00 0.00 H new ATOM 0 HA THR A 46 -2.057 -7.572 -9.675 1.00 0.00 H new ATOM 0 HB THR A 46 0.063 -8.962 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.660 -9.209 -7.053 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.246 -7.157 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.105 -6.514 -9.327 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.317 -6.486 -7.598 1.00 0.00 H new ATOM 721 N ASP A 47 -2.164 -10.646 -8.575 1.00 0.00 N ATOM 722 CA ASP A 47 -2.471 -12.040 -8.863 1.00 0.00 C ATOM 723 C ASP A 47 -1.971 -12.863 -7.691 1.00 0.00 C ATOM 724 O ASP A 47 -2.523 -13.906 -7.341 1.00 0.00 O ATOM 725 CB ASP A 47 -1.789 -12.491 -10.162 1.00 0.00 C ATOM 726 CG ASP A 47 -2.110 -13.926 -10.532 1.00 0.00 C ATOM 727 OD1 ASP A 47 -3.254 -14.197 -10.957 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.211 -14.788 -10.429 1.00 0.00 O ATOM 0 H ASP A 47 -1.708 -10.514 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.545 -12.172 -8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.098 -11.834 -10.975 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.710 -12.382 -10.056 1.00 0.00 H new ATOM 733 N SER A 48 -0.903 -12.354 -7.091 1.00 0.00 N ATOM 734 CA SER A 48 -0.377 -12.870 -5.848 1.00 0.00 C ATOM 735 C SER A 48 -1.290 -12.467 -4.692 1.00 0.00 C ATOM 736 O SER A 48 -1.879 -11.387 -4.712 1.00 0.00 O ATOM 737 CB SER A 48 1.023 -12.290 -5.637 1.00 0.00 C ATOM 738 OG SER A 48 1.878 -12.622 -6.720 1.00 0.00 O ATOM 0 H SER A 48 -0.377 -11.563 -7.463 1.00 0.00 H new ATOM 0 HA SER A 48 -0.326 -13.958 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.961 -11.206 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.443 -12.672 -4.707 1.00 0.00 H new ATOM 0 HG SER A 48 2.767 -12.239 -6.564 1.00 0.00 H new ATOM 744 N GLU A 49 -1.414 -13.333 -3.699 1.00 0.00 N ATOM 745 CA GLU A 49 -2.164 -12.997 -2.493 1.00 0.00 C ATOM 746 C GLU A 49 -1.217 -12.351 -1.495 1.00 0.00 C ATOM 747 O GLU A 49 -1.631 -11.686 -0.547 1.00 0.00 O ATOM 748 CB GLU A 49 -2.785 -14.242 -1.856 1.00 0.00 C ATOM 749 CG GLU A 49 -3.417 -15.193 -2.850 1.00 0.00 C ATOM 750 CD GLU A 49 -4.190 -16.313 -2.174 1.00 0.00 C ATOM 751 OE1 GLU A 49 -5.367 -16.100 -1.802 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.623 -17.419 -2.016 1.00 0.00 O ATOM 0 H GLU A 49 -1.009 -14.269 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.970 -12.315 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.015 -14.775 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.541 -13.930 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.088 -14.636 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.639 -15.622 -3.482 1.00 0.00 H new ATOM 759 N ASP A 50 0.066 -12.572 -1.737 1.00 0.00 N ATOM 760 CA ASP A 50 1.127 -12.106 -0.857 1.00 0.00 C ATOM 761 C ASP A 50 1.596 -10.717 -1.275 1.00 0.00 C ATOM 762 O ASP A 50 2.184 -9.974 -0.483 1.00 0.00 O ATOM 763 CB ASP A 50 2.310 -13.080 -0.922 1.00 0.00 C ATOM 764 CG ASP A 50 1.928 -14.518 -0.624 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.920 -14.909 0.561 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.649 -15.273 -1.584 1.00 0.00 O ATOM 0 H ASP A 50 0.402 -13.082 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 50 0.741 -12.057 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.758 -13.030 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.073 -12.761 -0.212 1.00 0.00 H new ATOM 771 N GLU A 51 1.313 -10.364 -2.520 1.00 0.00 N ATOM 772 CA GLU A 51 1.804 -9.125 -3.102 1.00 0.00 C ATOM 773 C GLU A 51 0.677 -8.305 -3.697 1.00 0.00 C ATOM 774 O GLU A 51 -0.355 -8.835 -4.105 1.00 0.00 O ATOM 775 CB GLU A 51 2.814 -9.408 -4.212 1.00 0.00 C ATOM 776 CG GLU A 51 4.262 -9.510 -3.756 1.00 0.00 C ATOM 777 CD GLU A 51 4.568 -10.779 -2.992 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.182 -11.867 -3.462 1.00 0.00 O ATOM 779 OE2 GLU A 51 5.242 -10.696 -1.947 1.00 0.00 O ATOM 0 H GLU A 51 0.740 -10.924 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 51 2.276 -8.567 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.538 -10.340 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.739 -8.618 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.914 -9.455 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.498 -8.651 -3.127 1.00 0.00 H new ATOM 786 N ILE A 52 0.904 -7.010 -3.763 1.00 0.00 N ATOM 787 CA ILE A 52 0.024 -6.097 -4.468 1.00 0.00 C ATOM 788 C ILE A 52 0.853 -5.159 -5.313 1.00 0.00 C ATOM 789 O ILE A 52 2.076 -5.202 -5.271 1.00 0.00 O ATOM 790 CB ILE A 52 -0.834 -5.227 -3.528 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.048 -4.552 -2.478 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.925 -6.047 -2.874 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.584 -3.326 -1.865 1.00 0.00 C ATOM 0 H ILE A 52 1.708 -6.557 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.644 -6.717 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.316 -4.451 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.274 -5.269 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.997 -4.273 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.515 -5.409 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.571 -6.472 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.476 -6.852 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.095 -2.896 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.785 -2.592 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.519 -3.603 -1.378 1.00 0.00 H new ATOM 805 N GLU A 53 0.197 -4.311 -6.067 1.00 0.00 N ATOM 806 CA GLU A 53 0.881 -3.265 -6.785 1.00 0.00 C ATOM 807 C GLU A 53 0.258 -1.935 -6.420 1.00 0.00 C ATOM 808 O GLU A 53 -0.959 -1.838 -6.284 1.00 0.00 O ATOM 809 CB GLU A 53 0.770 -3.483 -8.282 1.00 0.00 C ATOM 810 CG GLU A 53 1.598 -2.498 -9.094 1.00 0.00 C ATOM 811 CD GLU A 53 1.018 -2.227 -10.462 1.00 0.00 C ATOM 812 OE1 GLU A 53 1.365 -2.944 -11.419 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.210 -1.282 -10.590 1.00 0.00 O ATOM 0 H GLU A 53 -0.814 -4.326 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 53 1.936 -3.275 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.089 -4.498 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.276 -3.400 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.676 -1.559 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.610 -2.887 -9.205 1.00 0.00 H new ATOM 820 N GLY A 54 1.079 -0.922 -6.254 1.00 0.00 N ATOM 821 CA GLY A 54 0.560 0.381 -5.928 1.00 0.00 C ATOM 822 C GLY A 54 1.373 1.484 -6.548 1.00 0.00 C ATOM 823 O GLY A 54 2.200 1.240 -7.427 1.00 0.00 O ATOM 0 H GLY A 54 2.094 -0.976 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.472 0.456 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.547 0.505 -4.845 1.00 0.00 H new ATOM 827 N ARG A 55 1.150 2.696 -6.087 1.00 0.00 N ATOM 828 CA ARG A 55 1.832 3.852 -6.625 1.00 0.00 C ATOM 829 C ARG A 55 2.058 4.886 -5.541 1.00 0.00 C ATOM 830 O ARG A 55 1.188 5.134 -4.704 1.00 0.00 O ATOM 831 CB ARG A 55 1.022 4.446 -7.767 1.00 0.00 C ATOM 832 CG ARG A 55 -0.421 4.716 -7.399 1.00 0.00 C ATOM 833 CD ARG A 55 -1.245 5.062 -8.621 1.00 0.00 C ATOM 834 NE ARG A 55 -2.678 4.970 -8.348 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.591 5.821 -8.820 1.00 0.00 C ATOM 836 NH1 ARG A 55 -3.230 6.825 -9.607 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.872 5.659 -8.512 1.00 0.00 N ATOM 0 H ARG A 55 0.495 2.907 -5.334 1.00 0.00 H new ATOM 0 HA ARG A 55 2.804 3.541 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.488 5.377 -8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.052 3.765 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.844 3.839 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.468 5.535 -6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.001 6.072 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.986 4.388 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.002 4.204 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.249 6.951 -9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.934 7.472 -9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.159 4.884 -7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.570 6.310 -8.873 1.00 0.00 H new ATOM 851 N THR A 56 3.226 5.480 -5.566 1.00 0.00 N ATOM 852 CA THR A 56 3.598 6.475 -4.587 1.00 0.00 C ATOM 853 C THR A 56 4.162 7.699 -5.304 1.00 0.00 C ATOM 854 O THR A 56 4.169 7.747 -6.536 1.00 0.00 O ATOM 855 CB THR A 56 4.615 5.907 -3.562 1.00 0.00 C ATOM 856 OG1 THR A 56 4.880 6.863 -2.529 1.00 0.00 O ATOM 857 CG2 THR A 56 5.920 5.516 -4.237 1.00 0.00 C ATOM 0 H THR A 56 3.945 5.289 -6.264 1.00 0.00 H new ATOM 0 HA THR A 56 2.711 6.767 -4.025 1.00 0.00 H new ATOM 0 HB THR A 56 4.169 5.015 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.522 6.486 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.611 5.122 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.725 4.753 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.360 6.392 -4.713 1.00 0.00 H new ATOM 865 N ASP A 57 4.625 8.677 -4.544 1.00 0.00 N ATOM 866 CA ASP A 57 5.059 9.950 -5.102 1.00 0.00 C ATOM 867 C ASP A 57 6.317 9.789 -5.949 1.00 0.00 C ATOM 868 O ASP A 57 6.486 10.481 -6.952 1.00 0.00 O ATOM 869 CB ASP A 57 5.292 10.969 -3.984 1.00 0.00 C ATOM 870 CG ASP A 57 4.039 11.211 -3.166 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.127 11.909 -3.656 1.00 0.00 O ATOM 872 OD2 ASP A 57 3.947 10.684 -2.037 1.00 0.00 O ATOM 0 H ASP A 57 4.711 8.614 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 57 4.266 10.317 -5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.089 10.614 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.630 11.911 -4.416 1.00 0.00 H new ATOM 877 N LYS A 58 7.193 8.870 -5.560 1.00 0.00 N ATOM 878 CA LYS A 58 8.408 8.624 -6.328 1.00 0.00 C ATOM 879 C LYS A 58 8.138 7.670 -7.488 1.00 0.00 C ATOM 880 O LYS A 58 8.480 7.958 -8.634 1.00 0.00 O ATOM 881 CB LYS A 58 9.527 8.061 -5.445 1.00 0.00 C ATOM 882 CG LYS A 58 10.854 7.948 -6.183 1.00 0.00 C ATOM 883 CD LYS A 58 11.933 7.290 -5.338 1.00 0.00 C ATOM 884 CE LYS A 58 13.226 7.144 -6.127 1.00 0.00 C ATOM 885 NZ LYS A 58 14.264 6.384 -5.384 1.00 0.00 N ATOM 0 H LYS A 58 7.088 8.289 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 58 8.734 9.584 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.654 8.702 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.235 7.077 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.710 7.372 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.186 8.942 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.114 7.886 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.593 6.309 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.017 6.640 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.611 8.134 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.017 6.093 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.668 6.986 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.835 5.540 -4.953 1.00 0.00 H new ATOM 899 N ILE A 59 7.504 6.547 -7.188 1.00 0.00 N ATOM 900 CA ILE A 59 7.339 5.475 -8.160 1.00 0.00 C ATOM 901 C ILE A 59 5.891 5.021 -8.231 1.00 0.00 C ATOM 902 O ILE A 59 5.271 4.737 -7.208 1.00 0.00 O ATOM 903 CB ILE A 59 8.231 4.272 -7.787 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.679 4.735 -7.662 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.110 3.159 -8.822 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.403 4.141 -6.479 1.00 0.00 C ATOM 0 H ILE A 59 7.093 6.353 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 59 7.635 5.862 -9.135 1.00 0.00 H new ATOM 0 HB ILE A 59 7.898 3.869 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.215 4.474 -8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.699 5.822 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.749 2.324 -8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.075 2.822 -8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.420 3.534 -9.797 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.427 4.515 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.891 4.424 -5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.416 3.055 -6.568 1.00 0.00 H new ATOM 918 N LYS A 60 5.352 4.963 -9.434 1.00 0.00 N ATOM 919 CA LYS A 60 4.004 4.464 -9.629 1.00 0.00 C ATOM 920 C LYS A 60 4.053 3.114 -10.330 1.00 0.00 C ATOM 921 O LYS A 60 4.942 2.863 -11.146 1.00 0.00 O ATOM 922 CB LYS A 60 3.165 5.455 -10.436 1.00 0.00 C ATOM 923 CG LYS A 60 3.677 5.690 -11.845 1.00 0.00 C ATOM 924 CD LYS A 60 2.691 6.498 -12.674 1.00 0.00 C ATOM 925 CE LYS A 60 1.344 5.796 -12.771 1.00 0.00 C ATOM 926 NZ LYS A 60 0.417 6.498 -13.693 1.00 0.00 N ATOM 0 H LYS A 60 5.826 5.254 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 60 3.533 4.344 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.140 5.089 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.137 6.407 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.632 6.214 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.861 4.731 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.559 7.483 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.095 6.653 -13.674 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.492 4.773 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.894 5.736 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.488 5.987 -13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.254 7.467 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.834 6.533 -14.645 1.00 0.00 H new ATOM 940 N GLY A 61 3.114 2.244 -9.994 1.00 0.00 N ATOM 941 CA GLY A 61 3.065 0.937 -10.612 1.00 0.00 C ATOM 942 C GLY A 61 4.189 0.035 -10.142 1.00 0.00 C ATOM 943 O GLY A 61 4.880 -0.579 -10.955 1.00 0.00 O ATOM 0 H GLY A 61 2.384 2.420 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.107 0.467 -10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.120 1.048 -11.695 1.00 0.00 H new ATOM 947 N LEU A 62 4.391 -0.036 -8.834 1.00 0.00 N ATOM 948 CA LEU A 62 5.402 -0.920 -8.282 1.00 0.00 C ATOM 949 C LEU A 62 4.737 -2.013 -7.455 1.00 0.00 C ATOM 950 O LEU A 62 3.808 -1.755 -6.684 1.00 0.00 O ATOM 951 CB LEU A 62 6.445 -0.152 -7.447 1.00 0.00 C ATOM 952 CG LEU A 62 6.029 0.270 -6.035 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.251 0.708 -5.242 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.008 1.397 -6.069 1.00 0.00 C ATOM 0 H LEU A 62 3.872 0.504 -8.142 1.00 0.00 H new ATOM 0 HA LEU A 62 5.939 -1.379 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.338 -0.772 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.728 0.744 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 62 5.568 -0.591 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.946 1.006 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.957 -0.120 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.727 1.551 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.735 1.671 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.437 2.262 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.119 1.067 -6.606 1.00 0.00 H new ATOM 966 N VAL A 63 5.205 -3.234 -7.639 1.00 0.00 N ATOM 967 CA VAL A 63 4.624 -4.388 -6.976 1.00 0.00 C ATOM 968 C VAL A 63 5.360 -4.662 -5.674 1.00 0.00 C ATOM 969 O VAL A 63 6.581 -4.837 -5.668 1.00 0.00 O ATOM 970 CB VAL A 63 4.678 -5.643 -7.879 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.938 -6.808 -7.240 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.108 -5.337 -9.255 1.00 0.00 C ATOM 0 H VAL A 63 5.993 -3.453 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 63 3.578 -4.164 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 63 5.723 -5.930 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.992 -7.677 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.397 -7.048 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.894 -6.535 -7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.155 -6.232 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.071 -5.018 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.690 -4.542 -9.721 1.00 0.00 H new ATOM 982 N LEU A 64 4.620 -4.692 -4.580 1.00 0.00 N ATOM 983 CA LEU A 64 5.213 -4.879 -3.265 1.00 0.00 C ATOM 984 C LEU A 64 4.431 -5.879 -2.427 1.00 0.00 C ATOM 985 O LEU A 64 3.203 -5.948 -2.503 1.00 0.00 O ATOM 986 CB LEU A 64 5.308 -3.542 -2.523 1.00 0.00 C ATOM 987 CG LEU A 64 6.504 -2.681 -2.917 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.349 -1.263 -2.390 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.789 -3.314 -2.398 1.00 0.00 C ATOM 0 H LEU A 64 3.605 -4.589 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 64 6.215 -5.280 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.394 -2.976 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.355 -3.738 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 64 6.553 -2.626 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.214 -0.669 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.445 -0.817 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.276 -1.285 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.640 -2.695 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.743 -3.392 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.904 -4.309 -2.828 1.00 0.00 H new ATOM 1001 N ARG A 65 5.165 -6.666 -1.650 1.00 0.00 N ATOM 1002 CA ARG A 65 4.565 -7.568 -0.675 1.00 0.00 C ATOM 1003 C ARG A 65 3.750 -6.787 0.340 1.00 0.00 C ATOM 1004 O ARG A 65 4.210 -5.784 0.887 1.00 0.00 O ATOM 1005 CB ARG A 65 5.639 -8.384 0.048 1.00 0.00 C ATOM 1006 CG ARG A 65 6.924 -7.615 0.297 1.00 0.00 C ATOM 1007 CD ARG A 65 7.851 -8.345 1.259 1.00 0.00 C ATOM 1008 NE ARG A 65 7.976 -9.768 0.946 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.967 -10.297 0.230 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.888 -9.512 -0.324 1.00 0.00 N ATOM 1011 NH2 ARG A 65 9.029 -11.611 0.056 1.00 0.00 N ATOM 0 H ARG A 65 6.184 -6.697 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 65 3.908 -8.252 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.241 -8.728 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.866 -9.273 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.439 -7.454 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.685 -6.631 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.837 -7.882 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.476 -8.232 2.276 1.00 0.00 H new ATOM 0 HE ARG A 65 7.256 -10.398 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.837 -8.501 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.645 -9.922 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.319 -12.214 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.787 -12.018 -0.492 1.00 0.00 H new ATOM 1025 N THR A 66 2.559 -7.273 0.615 1.00 0.00 N ATOM 1026 CA THR A 66 1.644 -6.596 1.516 1.00 0.00 C ATOM 1027 C THR A 66 1.893 -7.037 2.964 1.00 0.00 C ATOM 1028 O THR A 66 1.016 -6.953 3.822 1.00 0.00 O ATOM 1029 CB THR A 66 0.183 -6.879 1.093 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.737 -6.167 1.928 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.119 -8.371 1.140 1.00 0.00 C ATOM 0 H THR A 66 2.197 -8.143 0.225 1.00 0.00 H new ATOM 0 HA THR A 66 1.818 -5.522 1.459 1.00 0.00 H new ATOM 0 HB THR A 66 0.063 -6.533 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.267 -6.805 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.152 -8.543 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.550 -8.899 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.029 -8.740 2.155 1.00 0.00 H new ATOM 1039 N GLU A 67 3.122 -7.462 3.244 1.00 0.00 N ATOM 1040 CA GLU A 67 3.465 -7.987 4.558 1.00 0.00 C ATOM 1041 C GLU A 67 3.813 -6.852 5.492 1.00 0.00 C ATOM 1042 O GLU A 67 3.587 -6.913 6.700 1.00 0.00 O ATOM 1043 CB GLU A 67 4.651 -8.937 4.438 1.00 0.00 C ATOM 1044 CG GLU A 67 4.454 -9.972 3.356 1.00 0.00 C ATOM 1045 CD GLU A 67 5.535 -11.033 3.341 1.00 0.00 C ATOM 1046 OE1 GLU A 67 5.707 -11.734 4.361 1.00 0.00 O ATOM 1047 OE2 GLU A 67 6.214 -11.172 2.307 1.00 0.00 O ATOM 0 H GLU A 67 3.895 -7.452 2.578 1.00 0.00 H new ATOM 0 HA GLU A 67 2.609 -8.528 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.553 -8.363 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.809 -9.439 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.485 -10.452 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.429 -9.474 2.387 1.00 0.00 H new ATOM 1054 N PHE A 68 4.357 -5.811 4.905 1.00 0.00 N ATOM 1055 CA PHE A 68 4.832 -4.666 5.664 1.00 0.00 C ATOM 1056 C PHE A 68 4.008 -3.422 5.354 1.00 0.00 C ATOM 1057 O PHE A 68 4.435 -2.296 5.620 1.00 0.00 O ATOM 1058 CB PHE A 68 6.314 -4.424 5.366 1.00 0.00 C ATOM 1059 CG PHE A 68 6.610 -4.033 3.944 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.834 -4.996 2.976 1.00 0.00 C ATOM 1061 CD2 PHE A 68 6.666 -2.702 3.581 1.00 0.00 C ATOM 1062 CE1 PHE A 68 7.113 -4.633 1.672 1.00 0.00 C ATOM 1063 CE2 PHE A 68 6.945 -2.333 2.279 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.166 -3.301 1.323 1.00 0.00 C ATOM 0 H PHE A 68 4.484 -5.729 3.896 1.00 0.00 H new ATOM 0 HA PHE A 68 4.716 -4.881 6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.681 -3.640 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.872 -5.330 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.790 -6.042 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.489 -1.939 4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.290 -5.394 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.990 -1.288 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.380 -3.016 0.303 1.00 0.00 H new ATOM 1074 N LEU A 69 2.817 -3.626 4.820 1.00 0.00 N ATOM 1075 CA LEU A 69 1.968 -2.511 4.451 1.00 0.00 C ATOM 1076 C LEU A 69 0.721 -2.483 5.310 1.00 0.00 C ATOM 1077 O LEU A 69 0.191 -3.521 5.705 1.00 0.00 O ATOM 1078 CB LEU A 69 1.586 -2.577 2.973 1.00 0.00 C ATOM 1079 CG LEU A 69 2.759 -2.580 1.987 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.265 -2.830 0.572 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.519 -1.262 2.055 1.00 0.00 C ATOM 0 H LEU A 69 2.419 -4.547 4.634 1.00 0.00 H new ATOM 0 HA LEU A 69 2.531 -1.593 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.994 -3.477 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.944 -1.727 2.744 1.00 0.00 H new ATOM 0 HG LEU A 69 3.438 -3.386 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.112 -2.829 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.763 -3.797 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.565 -2.044 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.348 -1.283 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.848 -0.441 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.906 -1.117 3.064 1.00 0.00 H new ATOM 1093 N LYS A 70 0.274 -1.282 5.596 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.888 -1.066 6.431 1.00 0.00 C ATOM 1095 C LYS A 70 -2.007 -0.465 5.600 1.00 0.00 C ATOM 1096 O LYS A 70 -1.808 0.554 4.944 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.534 -0.103 7.564 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.131 -0.468 8.911 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.629 -0.708 8.824 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.301 -0.532 10.174 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.755 -0.827 10.112 1.00 0.00 N ATOM 0 H LYS A 70 0.707 -0.423 5.255 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.211 -2.020 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.551 -0.060 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.870 0.898 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.642 -1.364 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.933 0.332 9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.068 -0.016 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.816 -1.715 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.828 -1.190 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.153 0.490 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.282 -0.081 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.060 -0.864 9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.943 -1.744 10.566 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.170 -1.092 5.622 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.330 -0.540 4.943 1.00 0.00 C ATOM 1117 C LYS A 71 -4.716 0.775 5.611 1.00 0.00 C ATOM 1118 O LYS A 71 -4.974 0.822 6.815 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.494 -1.541 4.965 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.696 -1.115 4.132 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.657 -0.239 4.920 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.803 0.254 4.053 1.00 0.00 C ATOM 1123 NZ LYS A 71 -8.336 1.156 2.967 1.00 0.00 N ATOM 0 H LYS A 71 -3.336 -1.978 6.099 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.088 -0.348 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.137 -2.505 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.814 -1.687 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.352 -0.573 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.222 -2.001 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.055 -0.802 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.118 0.614 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.320 -0.600 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.527 0.781 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.153 1.639 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.681 1.862 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.847 0.598 2.239 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.732 1.841 4.830 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.970 3.173 5.364 1.00 0.00 C ATOM 1139 C ALA A 72 -6.460 3.475 5.436 1.00 0.00 C ATOM 1140 O ALA A 72 -7.218 3.128 4.529 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.250 4.212 4.521 1.00 0.00 C ATOM 0 H ALA A 72 -4.583 1.811 3.821 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.574 3.212 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.436 5.205 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.179 4.010 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.618 4.168 3.496 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.875 4.111 6.521 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.272 4.449 6.691 1.00 0.00 C ATOM 1149 C GLY A 73 -9.018 3.399 7.487 1.00 0.00 C ATOM 1150 O GLY A 73 -8.421 2.435 7.967 1.00 0.00 O ATOM 0 H GLY A 73 -6.268 4.399 7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.353 5.412 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.739 4.562 5.713 1.00 0.00 H new ATOM 1154 N SER A 74 -10.319 3.584 7.630 1.00 0.00 N ATOM 1155 CA SER A 74 -11.149 2.649 8.373 1.00 0.00 C ATOM 1156 C SER A 74 -12.395 2.299 7.566 1.00 0.00 C ATOM 1157 O SER A 74 -12.494 1.149 7.091 1.00 0.00 O ATOM 1158 CB SER A 74 -11.535 3.250 9.725 1.00 0.00 C ATOM 1159 OG SER A 74 -10.383 3.697 10.422 1.00 0.00 O ATOM 1160 OXT SER A 74 -13.250 3.193 7.374 1.00 0.00 O ATOM 0 H SER A 74 -10.827 4.378 7.239 1.00 0.00 H new ATOM 0 HA SER A 74 -10.583 1.734 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.222 4.083 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.062 2.506 10.322 1.00 0.00 H new ATOM 0 HG SER A 74 -10.650 4.080 11.284 1.00 0.00 H new TER 1166 SER A 74