USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 709 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 38 SER OG : rot 180:sc= 0.107 USER MOD Set 1.2: A 41 THR OG1 : rot 79:sc= 0.023 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -148:sc= 0.00478 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00425 (180deg=-0.173) USER MOD Single : A 4 ASN : amide:sc= -0.604 K(o=-0.6,f=-4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.932 K(o=-0.93,f=-5!) USER MOD Single : A 8 TYR OH : rot 115:sc= -0.0453 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 167:sc= 0 (180deg=-0.0589) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.0537 (180deg=-0.375) USER MOD Single : A 17 ASN : amide:sc= -2.82 K(o=-2.8,f=-3.9!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 19 CYS SG : rot 59:sc= 0.888 USER MOD Single : A 20 THR OG1 : rot 150:sc= -0.74 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00967 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.812 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00733 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00035 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -24:sc= 0.351 USER MOD Single : A 33 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.2) USER MOD Single : A 35 SER OG : rot -35:sc= 0.113 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 167:sc=-0.00422 (180deg=-0.181) USER MOD Single : A 40 SER OG : rot 180:sc= 0.629 USER MOD Single : A 45 SER OG : rot 80:sc= -1.16 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.05) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.43! C(o=-1.4!,f=-4.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -146:sc= 1.2 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -87:sc= 1.07 USER MOD Single : A 81 MET CE :methyl -160:sc= -0.142 (180deg=-0.785) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.740 29.083 28.076 1.00 0.00 N1+ ATOM 2 CA MET A 1 17.869 28.554 28.830 1.00 0.00 C ATOM 3 C MET A 1 18.066 27.072 28.533 1.00 0.00 C ATOM 4 O MET A 1 17.610 26.212 29.286 1.00 0.00 O ATOM 5 CB MET A 1 17.646 28.755 30.330 1.00 0.00 C ATOM 6 CG MET A 1 17.460 30.207 30.737 1.00 0.00 C ATOM 7 SD MET A 1 18.870 31.239 30.292 1.00 0.00 S ATOM 8 CE MET A 1 18.310 32.842 30.860 1.00 0.00 C ATOM 0 H1 MET A 1 16.734 30.121 28.143 1.00 0.00 H new ATOM 0 H2 MET A 1 16.826 28.801 27.079 1.00 0.00 H new ATOM 0 H3 MET A 1 15.854 28.705 28.468 1.00 0.00 H new ATOM 0 HA MET A 1 18.765 29.095 28.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.767 28.187 30.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.497 28.342 30.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.562 30.601 30.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.301 30.261 31.814 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.077 33.589 30.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.391 33.112 30.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.121 32.802 31.933 1.00 0.00 H new ATOM 20 N ALA A 2 18.749 26.780 27.430 1.00 0.00 N ATOM 21 CA ALA A 2 19.008 25.402 27.033 1.00 0.00 C ATOM 22 C ALA A 2 19.864 24.692 28.076 1.00 0.00 C ATOM 23 O ALA A 2 19.660 23.511 28.347 1.00 0.00 O ATOM 24 CB ALA A 2 19.692 25.365 25.676 1.00 0.00 C ATOM 0 H ALA A 2 19.133 27.481 26.796 1.00 0.00 H new ATOM 0 HA ALA A 2 18.054 24.880 26.960 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.880 24.330 25.391 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.049 25.835 24.932 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.638 25.904 25.731 1.00 0.00 H new ATOM 30 N VAL A 3 20.860 25.415 28.591 1.00 0.00 N ATOM 31 CA VAL A 3 21.789 24.943 29.631 1.00 0.00 C ATOM 32 C VAL A 3 22.467 23.608 29.282 1.00 0.00 C ATOM 33 O VAL A 3 22.644 22.738 30.134 1.00 0.00 O ATOM 34 CB VAL A 3 21.169 24.969 31.063 1.00 0.00 C ATOM 35 CG1 VAL A 3 20.851 26.399 31.474 1.00 0.00 C ATOM 36 CG2 VAL A 3 19.934 24.087 31.202 1.00 0.00 C ATOM 0 H VAL A 3 21.052 26.371 28.291 1.00 0.00 H new ATOM 0 HA VAL A 3 22.597 25.674 29.653 1.00 0.00 H new ATOM 0 HB VAL A 3 21.920 24.553 31.735 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.419 26.402 32.475 1.00 0.00 H new ATOM 0 HG12 VAL A 3 21.767 26.990 31.472 1.00 0.00 H new ATOM 0 HG13 VAL A 3 20.139 26.830 30.770 1.00 0.00 H new ATOM 0 HG21 VAL A 3 19.554 24.151 32.221 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.166 24.424 30.506 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.198 23.053 30.978 1.00 0.00 H new ATOM 46 N ASN A 4 22.873 23.471 28.023 1.00 0.00 N ATOM 47 CA ASN A 4 23.533 22.257 27.559 1.00 0.00 C ATOM 48 C ASN A 4 24.763 21.965 28.411 1.00 0.00 C ATOM 49 O ASN A 4 25.677 22.786 28.500 1.00 0.00 O ATOM 50 CB ASN A 4 23.935 22.394 26.090 1.00 0.00 C ATOM 51 CG ASN A 4 22.743 22.610 25.178 1.00 0.00 C ATOM 52 OD1 ASN A 4 21.613 22.765 25.641 1.00 0.00 O ATOM 53 ND2 ASN A 4 22.990 22.621 23.873 1.00 0.00 N ATOM 0 H ASN A 4 22.756 24.187 27.306 1.00 0.00 H new ATOM 0 HA ASN A 4 22.833 21.427 27.654 1.00 0.00 H new ATOM 0 HB2 ASN A 4 24.626 23.230 25.983 1.00 0.00 H new ATOM 0 HB3 ASN A 4 24.469 21.496 25.778 1.00 0.00 H new ATOM 0 HD21 ASN A 4 22.227 22.762 23.211 1.00 0.00 H new ATOM 0 HD22 ASN A 4 23.943 22.488 23.533 1.00 0.00 H new ATOM 60 N LYS A 5 24.780 20.792 29.035 1.00 0.00 N ATOM 61 CA LYS A 5 25.896 20.393 29.888 1.00 0.00 C ATOM 62 C LYS A 5 27.236 20.283 29.167 1.00 0.00 C ATOM 63 O LYS A 5 28.268 20.669 29.715 1.00 0.00 O ATOM 64 CB LYS A 5 25.578 19.060 30.571 1.00 0.00 C ATOM 65 CG LYS A 5 26.691 18.546 31.469 1.00 0.00 C ATOM 66 CD LYS A 5 26.269 17.294 32.220 1.00 0.00 C ATOM 67 CE LYS A 5 25.064 17.558 33.109 1.00 0.00 C ATOM 68 NZ LYS A 5 24.652 16.347 33.870 1.00 0.00 N1+ ATOM 0 H LYS A 5 24.034 20.100 28.967 1.00 0.00 H new ATOM 0 HA LYS A 5 26.008 21.194 30.619 1.00 0.00 H new ATOM 0 HB2 LYS A 5 24.670 19.174 31.164 1.00 0.00 H new ATOM 0 HB3 LYS A 5 25.367 18.312 29.806 1.00 0.00 H new ATOM 0 HG2 LYS A 5 27.574 18.330 30.868 1.00 0.00 H new ATOM 0 HG3 LYS A 5 26.972 19.321 32.182 1.00 0.00 H new ATOM 0 HD2 LYS A 5 26.031 16.504 31.508 1.00 0.00 H new ATOM 0 HD3 LYS A 5 27.100 16.936 32.828 1.00 0.00 H new ATOM 0 HE2 LYS A 5 25.299 18.362 33.807 1.00 0.00 H new ATOM 0 HE3 LYS A 5 24.230 17.901 32.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.828 16.573 34.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.403 15.587 33.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 25.437 16.033 34.475 1.00 0.00 H new ATOM 82 N ASN A 6 27.229 19.762 27.946 1.00 0.00 N ATOM 83 CA ASN A 6 28.475 19.594 27.212 1.00 0.00 C ATOM 84 C ASN A 6 29.089 20.945 26.791 1.00 0.00 C ATOM 85 O ASN A 6 30.272 21.194 27.029 1.00 0.00 O ATOM 86 CB ASN A 6 28.246 18.723 25.975 1.00 0.00 C ATOM 87 CG ASN A 6 29.536 18.391 25.249 1.00 0.00 C ATOM 88 OD1 ASN A 6 30.548 19.072 25.416 1.00 0.00 O ATOM 89 ND2 ASN A 6 29.505 17.341 24.437 1.00 0.00 N ATOM 0 H ASN A 6 26.392 19.454 27.452 1.00 0.00 H new ATOM 0 HA ASN A 6 29.181 19.104 27.883 1.00 0.00 H new ATOM 0 HB2 ASN A 6 27.752 17.798 26.273 1.00 0.00 H new ATOM 0 HB3 ASN A 6 27.571 19.239 25.292 1.00 0.00 H new ATOM 0 HD21 ASN A 6 30.342 17.070 23.921 1.00 0.00 H new ATOM 0 HD22 ASN A 6 28.644 16.805 24.329 1.00 0.00 H new ATOM 96 N GLU A 7 28.281 21.810 26.168 1.00 0.00 N ATOM 97 CA GLU A 7 28.738 23.139 25.720 1.00 0.00 C ATOM 98 C GLU A 7 28.951 24.198 26.810 1.00 0.00 C ATOM 99 O GLU A 7 29.979 24.874 26.855 1.00 0.00 O ATOM 100 CB GLU A 7 27.764 23.690 24.674 1.00 0.00 C ATOM 101 CG GLU A 7 27.647 22.832 23.425 1.00 0.00 C ATOM 102 CD GLU A 7 26.556 23.310 22.488 1.00 0.00 C ATOM 103 OE1 GLU A 7 26.395 22.708 21.405 1.00 0.00 O ATOM 104 OE2 GLU A 7 25.859 24.287 22.833 1.00 0.00 O ATOM 0 H GLU A 7 27.302 21.616 25.960 1.00 0.00 H new ATOM 0 HA GLU A 7 29.732 22.956 25.312 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.778 23.789 25.128 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.085 24.691 24.386 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.601 22.834 22.897 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.445 21.801 23.715 1.00 0.00 H new ATOM 111 N TYR A 8 27.953 24.319 27.679 1.00 0.00 N ATOM 112 CA TYR A 8 27.975 25.260 28.796 1.00 0.00 C ATOM 113 C TYR A 8 28.985 24.860 29.879 1.00 0.00 C ATOM 114 O TYR A 8 29.426 25.728 30.626 1.00 0.00 O ATOM 115 CB TYR A 8 26.546 25.431 29.350 1.00 0.00 C ATOM 116 CG TYR A 8 26.312 26.614 30.274 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.857 27.881 29.990 1.00 0.00 C ATOM 118 CD2 TYR A 8 25.493 26.456 31.405 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.618 28.970 30.842 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.234 27.545 32.260 1.00 0.00 C ATOM 121 CZ TYR A 8 25.810 28.804 31.979 1.00 0.00 C ATOM 122 OH TYR A 8 25.603 29.873 32.785 1.00 0.00 O ATOM 0 H TYR A 8 27.099 23.763 27.629 1.00 0.00 H new ATOM 0 HA TYR A 8 28.320 26.227 28.430 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.861 25.517 28.506 1.00 0.00 H new ATOM 0 HB3 TYR A 8 26.277 24.521 29.887 1.00 0.00 H new ATOM 0 HD1 TYR A 8 27.465 28.016 29.108 1.00 0.00 H new ATOM 0 HD2 TYR A 8 25.058 25.491 31.621 1.00 0.00 H new ATOM 0 HE1 TYR A 8 27.054 29.934 30.624 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.599 27.418 33.125 1.00 0.00 H new ATOM 0 HH TYR A 8 24.655 30.120 32.764 1.00 0.00 H new ATOM 132 N LYS A 9 29.443 23.595 29.920 1.00 0.00 N ATOM 133 CA LYS A 9 30.457 23.144 30.886 1.00 0.00 C ATOM 134 C LYS A 9 31.713 24.016 30.829 1.00 0.00 C ATOM 135 O LYS A 9 32.238 24.383 31.869 1.00 0.00 O ATOM 136 CB LYS A 9 30.841 21.676 30.651 1.00 0.00 C ATOM 137 CG LYS A 9 30.392 20.807 31.839 1.00 0.00 C ATOM 138 CD LYS A 9 30.920 19.370 31.798 1.00 0.00 C ATOM 139 CE LYS A 9 30.481 18.530 33.002 1.00 0.00 C ATOM 140 NZ LYS A 9 30.999 17.146 32.897 1.00 0.00 N1+ ATOM 0 H LYS A 9 29.122 22.862 29.288 1.00 0.00 H new ATOM 0 HA LYS A 9 30.011 23.237 31.876 1.00 0.00 H new ATOM 0 HB2 LYS A 9 30.378 21.315 29.733 1.00 0.00 H new ATOM 0 HB3 LYS A 9 31.920 21.592 30.518 1.00 0.00 H new ATOM 0 HG2 LYS A 9 30.722 21.278 32.765 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.303 20.782 31.865 1.00 0.00 H new ATOM 0 HD2 LYS A 9 30.575 18.889 30.883 1.00 0.00 H new ATOM 0 HD3 LYS A 9 32.009 19.391 31.756 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.842 18.989 33.922 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.393 18.512 33.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.689 16.596 33.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.634 16.704 32.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.038 17.166 32.864 1.00 0.00 H new ATOM 154 N ILE A 10 32.142 24.425 29.632 1.00 0.00 N ATOM 155 CA ILE A 10 33.278 25.335 29.435 1.00 0.00 C ATOM 156 C ILE A 10 33.079 26.642 30.219 1.00 0.00 C ATOM 157 O ILE A 10 33.930 27.040 31.010 1.00 0.00 O ATOM 158 CB ILE A 10 33.455 25.630 27.927 1.00 0.00 C ATOM 159 CG1 ILE A 10 34.017 24.438 27.124 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.389 26.835 27.732 1.00 0.00 C ATOM 161 CD1 ILE A 10 32.983 23.618 26.344 1.00 0.00 C ATOM 0 H ILE A 10 31.705 24.130 28.759 1.00 0.00 H new ATOM 0 HA ILE A 10 34.180 24.853 29.813 1.00 0.00 H new ATOM 0 HB ILE A 10 32.456 25.839 27.545 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.760 24.815 26.421 1.00 0.00 H new ATOM 0 HG13 ILE A 10 34.538 23.772 27.813 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.507 27.035 26.667 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.960 27.710 28.220 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.362 26.615 28.170 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.485 22.807 25.817 1.00 0.00 H new ATOM 0 HD12 ILE A 10 32.251 23.203 27.036 1.00 0.00 H new ATOM 0 HD13 ILE A 10 32.477 24.261 25.624 1.00 0.00 H new ATOM 173 N LEU A 11 31.940 27.302 29.998 1.00 0.00 N ATOM 174 CA LEU A 11 31.572 28.561 30.655 1.00 0.00 C ATOM 175 C LEU A 11 31.402 28.389 32.185 1.00 0.00 C ATOM 176 O LEU A 11 31.619 29.326 32.951 1.00 0.00 O ATOM 177 CB LEU A 11 30.299 29.103 29.958 1.00 0.00 C ATOM 178 CG LEU A 11 30.517 29.698 28.537 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.198 30.109 27.894 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.417 30.937 28.569 1.00 0.00 C ATOM 0 H LEU A 11 31.232 26.970 29.343 1.00 0.00 H new ATOM 0 HA LEU A 11 32.374 29.291 30.549 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.572 28.294 29.887 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.858 29.873 30.592 1.00 0.00 H new ATOM 0 HG LEU A 11 30.992 28.908 27.955 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.389 30.520 26.903 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.549 29.238 27.807 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.711 30.863 28.512 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.544 31.321 27.557 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.958 31.704 29.193 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.390 30.669 28.980 1.00 0.00 H new ATOM 192 N ILE A 12 31.086 27.173 32.638 1.00 0.00 N ATOM 193 CA ILE A 12 30.948 26.805 34.060 1.00 0.00 C ATOM 194 C ILE A 12 32.309 26.565 34.733 1.00 0.00 C ATOM 195 O ILE A 12 32.510 26.961 35.882 1.00 0.00 O ATOM 196 CB ILE A 12 30.014 25.581 34.195 1.00 0.00 C ATOM 197 CG1 ILE A 12 28.592 25.966 33.734 1.00 0.00 C ATOM 198 CG2 ILE A 12 29.971 25.050 35.643 1.00 0.00 C ATOM 199 CD1 ILE A 12 27.716 24.765 33.377 1.00 0.00 C ATOM 0 H ILE A 12 30.912 26.389 32.010 1.00 0.00 H new ATOM 0 HA ILE A 12 30.497 27.645 34.588 1.00 0.00 H new ATOM 0 HB ILE A 12 30.408 24.784 33.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.105 26.537 34.525 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.666 26.622 32.866 1.00 0.00 H new ATOM 0 HG21 ILE A 12 29.304 24.190 35.695 1.00 0.00 H new ATOM 0 HG22 ILE A 12 30.973 24.751 35.951 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.606 25.833 36.307 1.00 0.00 H new ATOM 0 HD11 ILE A 12 26.732 25.113 33.062 1.00 0.00 H new ATOM 0 HD12 ILE A 12 28.180 24.205 32.565 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.611 24.120 34.249 1.00 0.00 H new ATOM 211 N MET A 13 33.270 25.975 34.018 1.00 0.00 N ATOM 212 CA MET A 13 34.621 25.698 34.526 1.00 0.00 C ATOM 213 C MET A 13 35.312 26.962 35.046 1.00 0.00 C ATOM 214 O MET A 13 35.859 26.970 36.143 1.00 0.00 O ATOM 215 CB MET A 13 35.474 25.063 33.417 1.00 0.00 C ATOM 216 CG MET A 13 35.095 23.608 33.151 1.00 0.00 C ATOM 217 SD MET A 13 35.678 22.484 34.450 1.00 0.00 S ATOM 218 CE MET A 13 34.368 21.235 34.444 1.00 0.00 C ATOM 0 H MET A 13 33.132 25.671 33.054 1.00 0.00 H new ATOM 0 HA MET A 13 34.521 25.007 35.363 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.359 25.639 32.499 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.526 25.116 33.697 1.00 0.00 H new ATOM 0 HG2 MET A 13 34.011 23.529 33.067 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.512 23.297 32.193 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.692 20.366 35.016 1.00 0.00 H new ATOM 0 HE2 MET A 13 33.467 21.651 34.894 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.156 20.935 33.418 1.00 0.00 H new ATOM 228 N LEU A 14 35.229 28.062 34.290 1.00 0.00 N ATOM 229 CA LEU A 14 35.730 29.378 34.709 1.00 0.00 C ATOM 230 C LEU A 14 34.958 30.051 35.854 1.00 0.00 C ATOM 231 O LEU A 14 35.533 30.895 36.542 1.00 0.00 O ATOM 232 CB LEU A 14 35.741 30.417 33.570 1.00 0.00 C ATOM 233 CG LEU A 14 34.931 30.119 32.288 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.139 31.355 31.878 1.00 0.00 C ATOM 235 CD2 LEU A 14 35.838 29.651 31.152 1.00 0.00 C ATOM 0 H LEU A 14 34.808 28.065 33.361 1.00 0.00 H new ATOM 0 HA LEU A 14 36.734 29.118 35.044 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.378 31.360 33.979 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.779 30.575 33.276 1.00 0.00 H new ATOM 0 HG LEU A 14 34.235 29.308 32.501 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.570 31.139 30.974 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.455 31.631 32.680 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.825 32.180 31.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 35.237 29.450 30.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.569 30.428 30.926 1.00 0.00 H new ATOM 0 HD23 LEU A 14 36.357 28.741 31.452 1.00 0.00 H new ATOM 247 N LYS A 15 33.677 29.693 36.025 1.00 0.00 N ATOM 248 CA LYS A 15 32.872 30.143 37.175 1.00 0.00 C ATOM 249 C LYS A 15 33.326 29.462 38.492 1.00 0.00 C ATOM 250 O LYS A 15 33.515 30.126 39.511 1.00 0.00 O ATOM 251 CB LYS A 15 31.390 29.862 36.929 1.00 0.00 C ATOM 252 CG LYS A 15 30.502 30.138 38.132 1.00 0.00 C ATOM 253 CD LYS A 15 30.632 31.577 38.602 1.00 0.00 C ATOM 254 CE LYS A 15 29.840 31.819 39.877 1.00 0.00 C ATOM 255 NZ LYS A 15 30.321 30.973 41.004 1.00 0.00 N1+ ATOM 0 H LYS A 15 33.171 29.089 35.377 1.00 0.00 H new ATOM 0 HA LYS A 15 33.023 31.217 37.281 1.00 0.00 H new ATOM 0 HB2 LYS A 15 31.049 30.470 36.091 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.272 28.819 36.634 1.00 0.00 H new ATOM 0 HG2 LYS A 15 29.463 29.931 37.874 1.00 0.00 H new ATOM 0 HG3 LYS A 15 30.769 29.463 38.945 1.00 0.00 H new ATOM 0 HD2 LYS A 15 31.682 31.811 38.775 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.280 32.250 37.820 1.00 0.00 H new ATOM 0 HE2 LYS A 15 29.915 32.870 40.156 1.00 0.00 H new ATOM 0 HE3 LYS A 15 28.786 31.612 39.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 29.968 31.359 41.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 29.971 30.001 40.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 31.361 30.967 41.015 1.00 0.00 H new ATOM 269 N GLU A 16 33.496 28.135 38.445 1.00 0.00 N ATOM 270 CA GLU A 16 34.024 27.344 39.549 1.00 0.00 C ATOM 271 C GLU A 16 35.494 27.687 39.745 1.00 0.00 C ATOM 272 O GLU A 16 35.992 27.766 40.868 1.00 0.00 O ATOM 273 CB GLU A 16 33.863 25.850 39.266 1.00 0.00 C ATOM 274 CG GLU A 16 32.417 25.389 39.187 1.00 0.00 C ATOM 275 CD GLU A 16 31.659 25.630 40.477 1.00 0.00 C ATOM 276 OE1 GLU A 16 32.266 26.148 41.438 1.00 0.00 O ATOM 277 OE2 GLU A 16 30.455 25.302 40.532 1.00 0.00 O ATOM 0 H GLU A 16 33.265 27.577 37.623 1.00 0.00 H new ATOM 0 HA GLU A 16 33.468 27.577 40.457 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.361 25.613 38.326 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.372 25.286 40.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.916 25.912 38.372 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.391 24.326 38.947 1.00 0.00 H new ATOM 284 N ASN A 17 36.178 27.891 38.620 1.00 0.00 N ATOM 285 CA ASN A 17 37.603 28.212 38.600 1.00 0.00 C ATOM 286 C ASN A 17 37.913 29.711 38.662 1.00 0.00 C ATOM 287 O ASN A 17 39.071 30.097 38.518 1.00 0.00 O ATOM 288 CB ASN A 17 38.240 27.668 37.318 1.00 0.00 C ATOM 289 CG ASN A 17 38.192 26.154 37.238 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.910 25.586 36.183 1.00 0.00 O ATOM 291 ND2 ASN A 17 38.467 25.491 38.356 1.00 0.00 N ATOM 0 H ASN A 17 35.756 27.838 37.693 1.00 0.00 H new ATOM 0 HA ASN A 17 38.013 27.749 39.498 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.726 28.090 36.454 1.00 0.00 H new ATOM 0 HB3 ASN A 17 39.277 27.998 37.264 1.00 0.00 H new ATOM 0 HD21 ASN A 17 38.449 24.471 38.362 1.00 0.00 H new ATOM 0 HD22 ASN A 17 38.696 26.002 39.209 1.00 0.00 H new ATOM 298 N GLN A 18 36.887 30.547 38.794 1.00 0.00 N ATOM 299 CA GLN A 18 37.086 31.990 38.949 1.00 0.00 C ATOM 300 C GLN A 18 37.900 32.689 37.860 1.00 0.00 C ATOM 301 O GLN A 18 38.596 33.666 38.139 1.00 0.00 O ATOM 302 CB GLN A 18 37.681 32.285 40.329 1.00 0.00 C ATOM 303 CG GLN A 18 39.175 32.020 40.426 1.00 0.00 C ATOM 304 CD GLN A 18 39.797 32.634 41.664 1.00 0.00 C ATOM 305 OE1 GLN A 18 39.106 33.230 42.491 1.00 0.00 O ATOM 306 NE2 GLN A 18 41.110 32.492 41.799 1.00 0.00 N ATOM 0 H GLN A 18 35.910 30.254 38.797 1.00 0.00 H new ATOM 0 HA GLN A 18 36.088 32.416 38.844 1.00 0.00 H new ATOM 0 HB2 GLN A 18 37.490 33.328 40.581 1.00 0.00 H new ATOM 0 HB3 GLN A 18 37.165 31.678 41.073 1.00 0.00 H new ATOM 0 HG2 GLN A 18 39.350 30.944 40.432 1.00 0.00 H new ATOM 0 HG3 GLN A 18 39.669 32.418 39.540 1.00 0.00 H new ATOM 0 HE21 GLN A 18 41.644 31.990 41.090 1.00 0.00 H new ATOM 0 HE22 GLN A 18 41.584 32.884 42.612 1.00 0.00 H new ATOM 315 N CYS A 19 37.819 32.201 36.630 1.00 0.00 N ATOM 316 CA CYS A 19 38.573 32.791 35.532 1.00 0.00 C ATOM 317 C CYS A 19 37.642 33.333 34.454 1.00 0.00 C ATOM 318 O CYS A 19 37.527 32.787 33.357 1.00 0.00 O ATOM 319 CB CYS A 19 39.483 31.710 34.947 1.00 0.00 C ATOM 320 SG CYS A 19 40.774 31.134 36.073 1.00 0.00 S ATOM 0 H CYS A 19 37.242 31.402 36.368 1.00 0.00 H new ATOM 0 HA CYS A 19 39.164 33.628 35.904 1.00 0.00 H new ATOM 0 HB2 CYS A 19 38.871 30.859 34.649 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.952 32.097 34.043 1.00 0.00 H new ATOM 0 HG CYS A 19 40.227 30.648 37.148 1.00 0.00 H new ATOM 326 N THR A 20 36.917 34.400 34.777 1.00 0.00 N ATOM 327 CA THR A 20 35.972 34.977 33.821 1.00 0.00 C ATOM 328 C THR A 20 36.100 36.490 33.682 1.00 0.00 C ATOM 329 O THR A 20 35.250 37.236 34.169 1.00 0.00 O ATOM 330 CB THR A 20 34.520 34.649 34.216 1.00 0.00 C ATOM 331 OG1 THR A 20 33.619 35.225 33.261 1.00 0.00 O ATOM 332 CG2 THR A 20 34.205 35.194 35.601 1.00 0.00 C ATOM 0 H THR A 20 36.962 34.877 35.677 1.00 0.00 H new ATOM 0 HA THR A 20 36.222 34.526 32.861 1.00 0.00 H new ATOM 0 HB THR A 20 34.401 33.566 34.230 1.00 0.00 H new ATOM 0 HG1 THR A 20 32.812 34.673 33.199 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.175 34.952 35.862 1.00 0.00 H new ATOM 0 HG22 THR A 20 34.879 34.745 36.331 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.335 36.276 35.604 1.00 0.00 H new ATOM 340 N THR A 21 37.181 36.949 33.063 1.00 0.00 N ATOM 341 CA THR A 21 37.407 38.381 32.902 1.00 0.00 C ATOM 342 C THR A 21 38.046 38.709 31.560 1.00 0.00 C ATOM 343 O THR A 21 38.628 37.847 30.916 1.00 0.00 O ATOM 344 CB THR A 21 38.302 38.927 34.031 1.00 0.00 C ATOM 345 OG1 THR A 21 38.337 40.359 33.971 1.00 0.00 O ATOM 346 CG2 THR A 21 39.714 38.379 33.905 1.00 0.00 C ATOM 0 H THR A 21 37.910 36.356 32.667 1.00 0.00 H new ATOM 0 HA THR A 21 36.428 38.858 32.947 1.00 0.00 H new ATOM 0 HB THR A 21 37.886 38.610 34.988 1.00 0.00 H new ATOM 0 HG1 THR A 21 38.906 40.703 34.691 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.331 38.776 34.711 1.00 0.00 H new ATOM 0 HG22 THR A 21 39.689 37.291 33.969 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.135 38.677 32.945 1.00 0.00 H new ATOM 354 N GLU A 22 37.899 39.953 31.120 1.00 0.00 N ATOM 355 CA GLU A 22 38.495 40.390 29.864 1.00 0.00 C ATOM 356 C GLU A 22 40.021 40.323 29.933 1.00 0.00 C ATOM 357 O GLU A 22 40.683 39.937 28.970 1.00 0.00 O ATOM 358 CB GLU A 22 38.056 41.818 29.536 1.00 0.00 C ATOM 359 CG GLU A 22 36.551 41.992 29.413 1.00 0.00 C ATOM 360 CD GLU A 22 36.153 43.424 29.113 1.00 0.00 C ATOM 361 OE1 GLU A 22 34.941 43.689 28.974 1.00 0.00 O ATOM 362 OE2 GLU A 22 37.053 44.284 29.016 1.00 0.00 O ATOM 0 H GLU A 22 37.374 40.675 31.613 1.00 0.00 H new ATOM 0 HA GLU A 22 38.152 39.719 29.076 1.00 0.00 H new ATOM 0 HB2 GLU A 22 38.426 42.488 30.312 1.00 0.00 H new ATOM 0 HB3 GLU A 22 38.524 42.125 28.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 36.177 41.341 28.622 1.00 0.00 H new ATOM 0 HG3 GLU A 22 36.075 41.673 30.340 1.00 0.00 H new ATOM 369 N LEU A 23 40.566 40.704 31.085 1.00 0.00 N ATOM 370 CA LEU A 23 42.011 40.738 31.307 1.00 0.00 C ATOM 371 C LEU A 23 42.731 39.388 31.222 1.00 0.00 C ATOM 372 O LEU A 23 43.827 39.308 30.668 1.00 0.00 O ATOM 373 CB LEU A 23 42.304 41.368 32.671 1.00 0.00 C ATOM 374 CG LEU A 23 42.375 42.896 32.698 1.00 0.00 C ATOM 375 CD1 LEU A 23 41.013 43.496 32.387 1.00 0.00 C ATOM 376 CD2 LEU A 23 42.886 43.387 34.044 1.00 0.00 C ATOM 0 H LEU A 23 40.018 40.999 31.893 1.00 0.00 H new ATOM 0 HA LEU A 23 42.405 41.332 30.482 1.00 0.00 H new ATOM 0 HB2 LEU A 23 41.533 41.047 33.371 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.252 40.973 33.037 1.00 0.00 H new ATOM 0 HG LEU A 23 43.077 43.222 31.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 41.081 44.584 32.410 1.00 0.00 H new ATOM 0 HD12 LEU A 23 40.691 43.174 31.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 40.290 43.162 33.131 1.00 0.00 H new ATOM 0 HD21 LEU A 23 42.929 44.476 34.042 1.00 0.00 H new ATOM 0 HD22 LEU A 23 42.213 43.052 34.833 1.00 0.00 H new ATOM 0 HD23 LEU A 23 43.883 42.985 34.223 1.00 0.00 H new ATOM 388 N LYS A 24 42.130 38.332 31.763 1.00 0.00 N ATOM 389 CA LYS A 24 42.769 37.018 31.752 1.00 0.00 C ATOM 390 C LYS A 24 42.091 36.063 30.760 1.00 0.00 C ATOM 391 O LYS A 24 40.891 35.832 30.850 1.00 0.00 O ATOM 392 CB LYS A 24 42.724 36.401 33.152 1.00 0.00 C ATOM 393 CG LYS A 24 43.325 37.278 34.238 1.00 0.00 C ATOM 394 CD LYS A 24 44.546 38.033 33.738 1.00 0.00 C ATOM 395 CE LYS A 24 45.244 38.769 34.870 1.00 0.00 C ATOM 396 NZ LYS A 24 46.442 39.519 34.399 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.213 38.358 32.209 1.00 0.00 H new ATOM 0 HA LYS A 24 43.803 37.161 31.438 1.00 0.00 H new ATOM 0 HB2 LYS A 24 41.687 36.184 33.408 1.00 0.00 H new ATOM 0 HB3 LYS A 24 43.254 35.449 33.135 1.00 0.00 H new ATOM 0 HG2 LYS A 24 42.576 37.988 34.588 1.00 0.00 H new ATOM 0 HG3 LYS A 24 43.603 36.661 35.092 1.00 0.00 H new ATOM 0 HD2 LYS A 24 45.242 37.335 33.272 1.00 0.00 H new ATOM 0 HD3 LYS A 24 44.246 38.745 32.969 1.00 0.00 H new ATOM 0 HE2 LYS A 24 44.544 39.462 35.337 1.00 0.00 H new ATOM 0 HE3 LYS A 24 45.543 38.054 35.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 46.886 40.005 35.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 47.123 38.856 33.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 46.155 40.220 33.687 1.00 0.00 H new ATOM 410 N SER A 25 42.854 35.463 29.849 1.00 0.00 N ATOM 411 CA SER A 25 42.276 34.566 28.858 1.00 0.00 C ATOM 412 C SER A 25 42.516 33.110 29.231 1.00 0.00 C ATOM 413 O SER A 25 43.616 32.739 29.641 1.00 0.00 O ATOM 414 CB SER A 25 42.868 34.852 27.477 1.00 0.00 C ATOM 415 OG SER A 25 42.507 36.147 27.026 1.00 0.00 O ATOM 0 H SER A 25 43.865 35.582 29.778 1.00 0.00 H new ATOM 0 HA SER A 25 41.201 34.742 28.832 1.00 0.00 H new ATOM 0 HB2 SER A 25 43.954 34.767 27.519 1.00 0.00 H new ATOM 0 HB3 SER A 25 42.517 34.105 26.765 1.00 0.00 H new ATOM 0 HG SER A 25 42.899 36.307 26.142 1.00 0.00 H new ATOM 421 N PHE A 26 41.483 32.286 29.088 1.00 0.00 N ATOM 422 CA PHE A 26 41.617 30.869 29.419 1.00 0.00 C ATOM 423 C PHE A 26 42.260 30.106 28.244 1.00 0.00 C ATOM 424 O PHE A 26 41.792 30.170 27.103 1.00 0.00 O ATOM 425 CB PHE A 26 40.233 30.310 29.810 1.00 0.00 C ATOM 426 CG PHE A 26 40.196 29.471 31.080 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.181 28.499 31.342 1.00 0.00 C ATOM 428 CD2 PHE A 26 39.146 29.647 32.008 1.00 0.00 C ATOM 429 CE1 PHE A 26 41.133 27.744 32.525 1.00 0.00 C ATOM 430 CE2 PHE A 26 39.113 28.898 33.201 1.00 0.00 C ATOM 431 CZ PHE A 26 40.123 27.964 33.472 1.00 0.00 C ATOM 0 H PHE A 26 40.561 32.565 28.752 1.00 0.00 H new ATOM 0 HA PHE A 26 42.281 30.738 30.273 1.00 0.00 H new ATOM 0 HB2 PHE A 26 39.544 31.146 29.928 1.00 0.00 H new ATOM 0 HB3 PHE A 26 39.860 29.704 28.985 1.00 0.00 H new ATOM 0 HD1 PHE A 26 41.976 28.334 30.630 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.362 30.361 31.802 1.00 0.00 H new ATOM 0 HE1 PHE A 26 41.881 26.987 32.707 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.309 29.043 33.907 1.00 0.00 H new ATOM 0 HZ PHE A 26 40.123 27.418 34.404 1.00 0.00 H new ATOM 441 N THR A 27 43.336 29.366 28.512 1.00 0.00 N ATOM 442 CA THR A 27 44.073 28.593 27.498 1.00 0.00 C ATOM 443 C THR A 27 43.389 27.273 27.129 1.00 0.00 C ATOM 444 O THR A 27 42.837 26.572 27.982 1.00 0.00 O ATOM 445 CB THR A 27 45.520 28.346 27.948 1.00 0.00 C ATOM 446 OG1 THR A 27 45.549 27.757 29.230 1.00 0.00 O ATOM 447 CG2 THR A 27 46.306 29.653 27.978 1.00 0.00 C ATOM 0 H THR A 27 43.729 29.282 29.449 1.00 0.00 H new ATOM 0 HA THR A 27 44.079 29.201 26.593 1.00 0.00 H new ATOM 0 HB THR A 27 45.980 27.667 27.230 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.479 27.605 29.499 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.329 29.455 28.299 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.318 30.093 26.981 1.00 0.00 H new ATOM 0 HG23 THR A 27 45.834 30.345 28.675 1.00 0.00 H new ATOM 455 N TYR A 28 43.447 26.908 25.839 1.00 0.00 N ATOM 456 CA TYR A 28 42.725 25.748 25.290 1.00 0.00 C ATOM 457 C TYR A 28 43.075 24.431 25.997 1.00 0.00 C ATOM 458 O TYR A 28 42.163 23.683 26.337 1.00 0.00 O ATOM 459 CB TYR A 28 42.983 25.597 23.771 1.00 0.00 C ATOM 460 CG TYR A 28 41.884 26.000 22.790 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.511 25.915 23.118 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.255 26.351 21.475 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.528 26.237 22.161 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.273 26.649 20.509 1.00 0.00 C ATOM 465 CZ TYR A 28 39.909 26.619 20.858 1.00 0.00 C ATOM 466 OH TYR A 28 38.967 26.950 19.939 1.00 0.00 O ATOM 0 H TYR A 28 43.998 27.411 25.144 1.00 0.00 H new ATOM 0 HA TYR A 28 41.668 25.948 25.467 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.871 26.181 23.528 1.00 0.00 H new ATOM 0 HB3 TYR A 28 43.227 24.552 23.581 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.214 25.601 24.108 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.300 26.392 21.206 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.482 26.191 22.426 1.00 0.00 H new ATOM 0 HE2 TYR A 28 41.567 26.900 19.501 1.00 0.00 H new ATOM 0 HH TYR A 28 39.403 27.189 19.095 1.00 0.00 H new ATOM 476 N THR A 29 44.361 24.149 26.243 1.00 0.00 N ATOM 477 CA THR A 29 44.815 22.886 26.854 1.00 0.00 C ATOM 478 C THR A 29 44.184 22.673 28.229 1.00 0.00 C ATOM 479 O THR A 29 43.540 21.649 28.467 1.00 0.00 O ATOM 480 CB THR A 29 46.347 22.861 26.989 1.00 0.00 C ATOM 481 OG1 THR A 29 46.941 23.253 25.775 1.00 0.00 O ATOM 482 CG2 THR A 29 46.884 21.475 27.337 1.00 0.00 C ATOM 0 H THR A 29 45.122 24.792 26.024 1.00 0.00 H new ATOM 0 HA THR A 29 44.498 22.079 26.194 1.00 0.00 H new ATOM 0 HB THR A 29 46.596 23.548 27.798 1.00 0.00 H new ATOM 0 HG1 THR A 29 47.916 23.237 25.868 1.00 0.00 H new ATOM 0 HG21 THR A 29 47.970 21.516 27.420 1.00 0.00 H new ATOM 0 HG22 THR A 29 46.460 21.148 28.286 1.00 0.00 H new ATOM 0 HG23 THR A 29 46.606 20.770 26.554 1.00 0.00 H new ATOM 490 N LYS A 30 44.287 23.687 29.104 1.00 0.00 N ATOM 491 CA LYS A 30 43.695 23.669 30.444 1.00 0.00 C ATOM 492 C LYS A 30 42.178 23.489 30.363 1.00 0.00 C ATOM 493 O LYS A 30 41.649 22.599 31.023 1.00 0.00 O ATOM 494 CB LYS A 30 44.104 24.936 31.204 1.00 0.00 C ATOM 495 CG LYS A 30 43.737 24.836 32.696 1.00 0.00 C ATOM 496 CD LYS A 30 44.465 25.937 33.472 1.00 0.00 C ATOM 497 CE LYS A 30 44.257 25.892 34.993 1.00 0.00 C ATOM 498 NZ LYS A 30 42.863 26.105 35.443 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.790 24.549 28.895 1.00 0.00 H new ATOM 0 HA LYS A 30 44.075 22.814 31.003 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.178 25.094 31.101 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.611 25.802 30.763 1.00 0.00 H new ATOM 0 HG2 LYS A 30 42.659 24.937 32.825 1.00 0.00 H new ATOM 0 HG3 LYS A 30 44.014 23.857 33.086 1.00 0.00 H new ATOM 0 HD2 LYS A 30 45.532 25.866 33.262 1.00 0.00 H new ATOM 0 HD3 LYS A 30 44.131 26.906 33.101 1.00 0.00 H new ATOM 0 HE2 LYS A 30 44.598 24.925 35.362 1.00 0.00 H new ATOM 0 HE3 LYS A 30 44.891 26.650 35.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 42.822 26.057 36.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 42.535 27.040 35.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 42.251 25.368 35.038 1.00 0.00 H new ATOM 512 N LEU A 31 41.489 24.277 29.526 1.00 0.00 N ATOM 513 CA LEU A 31 40.028 24.206 29.389 1.00 0.00 C ATOM 514 C LEU A 31 39.549 22.842 28.863 1.00 0.00 C ATOM 515 O LEU A 31 38.564 22.306 29.365 1.00 0.00 O ATOM 516 CB LEU A 31 39.501 25.341 28.483 1.00 0.00 C ATOM 517 CG LEU A 31 38.828 26.476 29.275 1.00 0.00 C ATOM 518 CD1 LEU A 31 38.356 27.561 28.308 1.00 0.00 C ATOM 519 CD2 LEU A 31 37.626 25.990 30.093 1.00 0.00 C ATOM 0 H LEU A 31 41.926 24.978 28.928 1.00 0.00 H new ATOM 0 HA LEU A 31 39.618 24.330 30.391 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.328 25.750 27.903 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.786 24.928 27.771 1.00 0.00 H new ATOM 0 HG LEU A 31 39.571 26.866 29.971 1.00 0.00 H new ATOM 0 HD11 LEU A 31 37.879 28.365 28.868 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.211 27.957 27.761 1.00 0.00 H new ATOM 0 HD13 LEU A 31 37.641 27.135 27.604 1.00 0.00 H new ATOM 0 HD21 LEU A 31 37.189 26.831 30.632 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.880 25.561 29.424 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.953 25.233 30.806 1.00 0.00 H new ATOM 531 N CYS A 32 40.242 22.266 27.879 1.00 0.00 N ATOM 532 CA CYS A 32 39.896 20.968 27.298 1.00 0.00 C ATOM 533 C CYS A 32 40.015 19.842 28.335 1.00 0.00 C ATOM 534 O CYS A 32 39.107 19.017 28.466 1.00 0.00 O ATOM 535 CB CYS A 32 40.821 20.722 26.101 1.00 0.00 C ATOM 536 SG CYS A 32 40.172 19.375 25.079 1.00 0.00 S ATOM 0 H CYS A 32 41.068 22.692 27.459 1.00 0.00 H new ATOM 0 HA CYS A 32 38.857 20.976 26.968 1.00 0.00 H new ATOM 0 HB2 CYS A 32 40.908 21.631 25.506 1.00 0.00 H new ATOM 0 HB3 CYS A 32 41.823 20.473 26.451 1.00 0.00 H new ATOM 0 HG CYS A 32 39.405 18.613 25.801 1.00 0.00 H new ATOM 542 N ASN A 33 41.104 19.854 29.117 1.00 0.00 N ATOM 543 CA ASN A 33 41.362 18.874 30.168 1.00 0.00 C ATOM 544 C ASN A 33 40.304 18.959 31.283 1.00 0.00 C ATOM 545 O ASN A 33 39.613 17.969 31.542 1.00 0.00 O ATOM 546 CB ASN A 33 42.804 19.069 30.675 1.00 0.00 C ATOM 547 CG ASN A 33 43.291 17.913 31.534 1.00 0.00 C ATOM 548 OD1 ASN A 33 42.682 17.555 32.534 1.00 0.00 O ATOM 549 ND2 ASN A 33 44.379 17.277 31.181 1.00 0.00 N ATOM 0 H ASN A 33 41.838 20.557 29.031 1.00 0.00 H new ATOM 0 HA ASN A 33 41.277 17.862 29.772 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.471 19.187 29.821 1.00 0.00 H new ATOM 0 HB3 ASN A 33 42.859 19.992 31.252 1.00 0.00 H new ATOM 0 HD21 ASN A 33 44.713 16.490 31.737 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.893 17.568 30.349 1.00 0.00 H new ATOM 556 N ILE A 34 40.110 20.131 31.902 1.00 0.00 N ATOM 557 CA ILE A 34 39.124 20.301 32.989 1.00 0.00 C ATOM 558 C ILE A 34 37.684 20.041 32.505 1.00 0.00 C ATOM 559 O ILE A 34 36.896 19.427 33.220 1.00 0.00 O ATOM 560 CB ILE A 34 39.272 21.677 33.689 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.839 22.837 32.769 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.697 21.865 34.251 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.140 24.233 33.313 1.00 0.00 C ATOM 0 H ILE A 34 40.623 20.982 31.671 1.00 0.00 H new ATOM 0 HA ILE A 34 39.340 19.542 33.741 1.00 0.00 H new ATOM 0 HB ILE A 34 38.591 21.694 34.540 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.336 22.723 31.806 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.767 22.757 32.586 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.771 22.838 34.736 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.908 21.080 34.978 1.00 0.00 H new ATOM 0 HG23 ILE A 34 41.420 21.809 33.437 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.801 24.983 32.599 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.621 24.374 34.261 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.214 24.339 33.468 1.00 0.00 H new ATOM 575 N SER A 35 37.346 20.411 31.261 1.00 0.00 N ATOM 576 CA SER A 35 36.018 20.165 30.679 1.00 0.00 C ATOM 577 C SER A 35 35.771 18.701 30.262 1.00 0.00 C ATOM 578 O SER A 35 34.632 18.358 29.919 1.00 0.00 O ATOM 579 CB SER A 35 35.764 21.132 29.517 1.00 0.00 C ATOM 580 OG SER A 35 34.402 21.104 29.139 1.00 0.00 O ATOM 0 H SER A 35 37.987 20.890 30.629 1.00 0.00 H new ATOM 0 HA SER A 35 35.295 20.355 31.472 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.046 22.144 29.810 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.389 20.860 28.667 1.00 0.00 H new ATOM 0 HG SER A 35 34.053 20.194 29.241 1.00 0.00 H new ATOM 586 N LYS A 36 36.790 17.825 30.326 1.00 0.00 N ATOM 587 CA LYS A 36 36.692 16.364 30.129 1.00 0.00 C ATOM 588 C LYS A 36 36.158 15.927 28.756 1.00 0.00 C ATOM 589 O LYS A 36 35.239 15.111 28.674 1.00 0.00 O ATOM 590 CB LYS A 36 35.884 15.748 31.287 1.00 0.00 C ATOM 591 CG LYS A 36 36.667 15.677 32.605 1.00 0.00 C ATOM 592 CD LYS A 36 35.719 15.269 33.740 1.00 0.00 C ATOM 593 CE LYS A 36 36.417 15.241 35.102 1.00 0.00 C ATOM 594 NZ LYS A 36 37.267 14.045 35.299 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.744 18.126 30.524 1.00 0.00 H new ATOM 0 HA LYS A 36 37.712 15.979 30.140 1.00 0.00 H new ATOM 0 HB2 LYS A 36 34.979 16.335 31.442 1.00 0.00 H new ATOM 0 HB3 LYS A 36 35.568 14.743 31.006 1.00 0.00 H new ATOM 0 HG2 LYS A 36 37.480 14.956 32.519 1.00 0.00 H new ATOM 0 HG3 LYS A 36 37.120 16.644 32.824 1.00 0.00 H new ATOM 0 HD2 LYS A 36 34.882 15.966 33.778 1.00 0.00 H new ATOM 0 HD3 LYS A 36 35.304 14.284 33.527 1.00 0.00 H new ATOM 0 HE2 LYS A 36 37.031 16.136 35.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 35.664 15.277 35.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 37.711 14.086 36.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 36.682 13.188 35.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 38.006 14.020 34.568 1.00 0.00 H new ATOM 608 N LEU A 37 36.670 16.491 27.681 1.00 0.00 N ATOM 609 CA LEU A 37 36.131 16.240 26.349 1.00 0.00 C ATOM 610 C LEU A 37 37.171 16.397 25.232 1.00 0.00 C ATOM 611 O LEU A 37 38.256 16.932 25.460 1.00 0.00 O ATOM 612 CB LEU A 37 34.888 17.129 26.197 1.00 0.00 C ATOM 613 CG LEU A 37 35.031 18.641 26.475 1.00 0.00 C ATOM 614 CD1 LEU A 37 35.632 19.454 25.337 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.652 19.227 26.759 1.00 0.00 C ATOM 0 H LEU A 37 37.464 17.131 27.699 1.00 0.00 H new ATOM 0 HA LEU A 37 35.840 15.195 26.244 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.518 17.012 25.178 1.00 0.00 H new ATOM 0 HB3 LEU A 37 34.118 16.740 26.863 1.00 0.00 H new ATOM 0 HG LEU A 37 35.717 18.710 27.319 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.690 20.502 25.630 1.00 0.00 H new ATOM 0 HD12 LEU A 37 36.632 19.083 25.114 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.004 19.359 24.451 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.744 20.295 26.956 1.00 0.00 H new ATOM 0 HD22 LEU A 37 33.006 19.072 25.895 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.219 18.733 27.629 1.00 0.00 H new ATOM 627 N SER A 38 36.851 15.910 24.012 1.00 0.00 N ATOM 628 CA SER A 38 37.748 16.016 22.856 1.00 0.00 C ATOM 629 C SER A 38 38.030 17.475 22.473 1.00 0.00 C ATOM 630 O SER A 38 37.159 18.350 22.538 1.00 0.00 O ATOM 631 CB SER A 38 37.224 15.214 21.648 1.00 0.00 C ATOM 632 OG SER A 38 36.299 15.951 20.866 1.00 0.00 O ATOM 0 H SER A 38 35.970 15.438 23.809 1.00 0.00 H new ATOM 0 HA SER A 38 38.697 15.573 23.159 1.00 0.00 H new ATOM 0 HB2 SER A 38 38.065 14.914 21.023 1.00 0.00 H new ATOM 0 HB3 SER A 38 36.748 14.300 22.002 1.00 0.00 H new ATOM 0 HG SER A 38 35.997 15.402 20.113 1.00 0.00 H new ATOM 638 N MET A 39 39.247 17.743 21.995 1.00 0.00 N ATOM 639 CA MET A 39 39.622 19.081 21.524 1.00 0.00 C ATOM 640 C MET A 39 38.831 19.524 20.282 1.00 0.00 C ATOM 641 O MET A 39 38.661 20.718 20.058 1.00 0.00 O ATOM 642 CB MET A 39 41.138 19.164 21.316 1.00 0.00 C ATOM 643 CG MET A 39 41.670 18.208 20.243 1.00 0.00 C ATOM 644 SD MET A 39 43.468 18.256 20.073 1.00 0.00 S ATOM 645 CE MET A 39 44.011 17.503 21.632 1.00 0.00 C ATOM 0 H MET A 39 39.992 17.050 21.923 1.00 0.00 H new ATOM 0 HA MET A 39 39.348 19.793 22.302 1.00 0.00 H new ATOM 0 HB2 MET A 39 41.402 20.185 21.042 1.00 0.00 H new ATOM 0 HB3 MET A 39 41.637 18.948 22.261 1.00 0.00 H new ATOM 0 HG2 MET A 39 41.362 17.191 20.487 1.00 0.00 H new ATOM 0 HG3 MET A 39 41.214 18.458 19.285 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.071 17.258 21.568 1.00 0.00 H new ATOM 0 HE2 MET A 39 43.850 18.204 22.451 1.00 0.00 H new ATOM 0 HE3 MET A 39 43.439 16.594 21.815 1.00 0.00 H new ATOM 655 N SER A 40 38.262 18.586 19.520 1.00 0.00 N ATOM 656 CA SER A 40 37.276 18.890 18.477 1.00 0.00 C ATOM 657 C SER A 40 35.990 19.495 19.063 1.00 0.00 C ATOM 658 O SER A 40 35.486 20.497 18.549 1.00 0.00 O ATOM 659 CB SER A 40 36.990 17.610 17.694 1.00 0.00 C ATOM 660 OG SER A 40 36.000 17.821 16.712 1.00 0.00 O ATOM 0 H SER A 40 38.472 17.592 19.608 1.00 0.00 H new ATOM 0 HA SER A 40 37.684 19.645 17.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 37.906 17.259 17.220 1.00 0.00 H new ATOM 0 HB3 SER A 40 36.665 16.827 18.379 1.00 0.00 H new ATOM 0 HG SER A 40 35.838 16.986 16.226 1.00 0.00 H new ATOM 666 N THR A 41 35.465 18.960 20.179 1.00 0.00 N ATOM 667 CA THR A 41 34.293 19.511 20.880 1.00 0.00 C ATOM 668 C THR A 41 34.593 20.880 21.495 1.00 0.00 C ATOM 669 O THR A 41 33.784 21.795 21.344 1.00 0.00 O ATOM 670 CB THR A 41 33.754 18.528 21.935 1.00 0.00 C ATOM 671 OG1 THR A 41 33.357 17.342 21.283 1.00 0.00 O ATOM 672 CG2 THR A 41 32.507 19.052 22.648 1.00 0.00 C ATOM 0 H THR A 41 35.846 18.125 20.624 1.00 0.00 H new ATOM 0 HA THR A 41 33.511 19.655 20.135 1.00 0.00 H new ATOM 0 HB THR A 41 34.552 18.378 22.663 1.00 0.00 H new ATOM 0 HG1 THR A 41 34.148 16.799 21.082 1.00 0.00 H new ATOM 0 HG21 THR A 41 32.171 18.318 23.380 1.00 0.00 H new ATOM 0 HG22 THR A 41 32.744 19.988 23.154 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.716 19.224 21.918 1.00 0.00 H new ATOM 680 N VAL A 42 35.784 21.064 22.118 1.00 0.00 N ATOM 681 CA VAL A 42 36.157 22.376 22.689 1.00 0.00 C ATOM 682 C VAL A 42 36.418 23.437 21.610 1.00 0.00 C ATOM 683 O VAL A 42 36.049 24.597 21.799 1.00 0.00 O ATOM 684 CB VAL A 42 37.311 22.258 23.711 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.709 22.140 23.092 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.338 23.477 24.643 1.00 0.00 C ATOM 0 H VAL A 42 36.488 20.335 22.235 1.00 0.00 H new ATOM 0 HA VAL A 42 35.291 22.732 23.247 1.00 0.00 H new ATOM 0 HB VAL A 42 37.098 21.332 24.245 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.453 22.062 23.885 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.755 21.251 22.463 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.915 23.023 22.487 1.00 0.00 H new ATOM 0 HG21 VAL A 42 38.158 23.373 25.354 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.481 24.383 24.054 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.394 23.542 25.184 1.00 0.00 H new ATOM 696 N ARG A 43 36.975 23.055 20.446 1.00 0.00 N ATOM 697 CA ARG A 43 37.069 23.940 19.274 1.00 0.00 C ATOM 698 C ARG A 43 35.691 24.345 18.754 1.00 0.00 C ATOM 699 O ARG A 43 35.514 25.505 18.391 1.00 0.00 O ATOM 700 CB ARG A 43 37.906 23.308 18.144 1.00 0.00 C ATOM 701 CG ARG A 43 39.418 23.490 18.352 1.00 0.00 C ATOM 702 CD ARG A 43 40.213 23.232 17.062 1.00 0.00 C ATOM 703 NE ARG A 43 40.343 21.802 16.712 1.00 0.00 N ATOM 704 CZ ARG A 43 41.398 21.041 16.962 1.00 0.00 C ATOM 705 NH1 ARG A 43 42.436 21.538 17.565 1.00 0.00 N ATOM 706 NH2 ARG A 43 41.410 19.797 16.594 1.00 0.00 N ATOM 0 H ARG A 43 37.371 22.127 20.293 1.00 0.00 H new ATOM 0 HA ARG A 43 37.581 24.842 19.609 1.00 0.00 H new ATOM 0 HB2 ARG A 43 37.678 22.244 18.080 1.00 0.00 H new ATOM 0 HB3 ARG A 43 37.618 23.754 17.192 1.00 0.00 H new ATOM 0 HG2 ARG A 43 39.616 24.503 18.703 1.00 0.00 H new ATOM 0 HG3 ARG A 43 39.761 22.809 19.131 1.00 0.00 H new ATOM 0 HD2 ARG A 43 39.728 23.755 16.238 1.00 0.00 H new ATOM 0 HD3 ARG A 43 41.209 23.661 17.169 1.00 0.00 H new ATOM 0 HE ARG A 43 39.553 21.364 16.238 1.00 0.00 H new ATOM 0 HH11 ARG A 43 42.441 22.518 17.848 1.00 0.00 H new ATOM 0 HH12 ARG A 43 43.246 20.948 17.755 1.00 0.00 H new ATOM 0 HH21 ARG A 43 40.605 19.401 16.110 1.00 0.00 H new ATOM 0 HH22 ARG A 43 42.225 19.215 16.789 1.00 0.00 H new ATOM 720 N ARG A 44 34.708 23.438 18.727 1.00 0.00 N ATOM 721 CA ARG A 44 33.325 23.762 18.327 1.00 0.00 C ATOM 722 C ARG A 44 32.634 24.696 19.323 1.00 0.00 C ATOM 723 O ARG A 44 32.118 25.732 18.910 1.00 0.00 O ATOM 724 CB ARG A 44 32.525 22.472 18.077 1.00 0.00 C ATOM 725 CG ARG A 44 32.776 21.943 16.655 1.00 0.00 C ATOM 726 CD ARG A 44 32.121 20.577 16.422 1.00 0.00 C ATOM 727 NE ARG A 44 32.955 19.483 16.957 1.00 0.00 N ATOM 728 CZ ARG A 44 32.572 18.442 17.671 1.00 0.00 C ATOM 729 NH1 ARG A 44 31.320 18.287 17.985 1.00 0.00 N ATOM 730 NH2 ARG A 44 33.439 17.563 18.063 1.00 0.00 N ATOM 0 H ARG A 44 34.844 22.459 18.980 1.00 0.00 H new ATOM 0 HA ARG A 44 33.367 24.315 17.389 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.809 21.715 18.807 1.00 0.00 H new ATOM 0 HB3 ARG A 44 31.461 22.665 18.216 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.389 22.658 15.929 1.00 0.00 H new ATOM 0 HG3 ARG A 44 33.849 21.864 16.483 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.141 20.556 16.898 1.00 0.00 H new ATOM 0 HD3 ARG A 44 31.960 20.426 15.355 1.00 0.00 H new ATOM 0 HE ARG A 44 33.952 19.539 16.749 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.629 18.972 17.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 31.029 17.480 18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.423 17.674 17.820 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.137 16.760 18.615 1.00 0.00 H new ATOM 744 N SER A 45 32.646 24.389 20.622 1.00 0.00 N ATOM 745 CA SER A 45 31.934 25.202 21.622 1.00 0.00 C ATOM 746 C SER A 45 32.527 26.611 21.768 1.00 0.00 C ATOM 747 O SER A 45 31.775 27.577 21.685 1.00 0.00 O ATOM 748 CB SER A 45 31.878 24.480 22.973 1.00 0.00 C ATOM 749 OG SER A 45 33.171 24.307 23.517 1.00 0.00 O ATOM 0 H SER A 45 33.139 23.585 21.010 1.00 0.00 H new ATOM 0 HA SER A 45 30.915 25.331 21.258 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.262 25.051 23.668 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.400 23.508 22.849 1.00 0.00 H new ATOM 0 HG SER A 45 33.463 25.142 23.939 1.00 0.00 H new ATOM 755 N ILE A 46 33.853 26.778 21.871 1.00 0.00 N ATOM 756 CA ILE A 46 34.482 28.118 21.911 1.00 0.00 C ATOM 757 C ILE A 46 34.210 28.919 20.626 1.00 0.00 C ATOM 758 O ILE A 46 33.940 30.115 20.717 1.00 0.00 O ATOM 759 CB ILE A 46 35.992 28.003 22.249 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.189 27.620 23.738 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.826 29.245 21.890 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.972 28.713 24.779 1.00 0.00 C ATOM 0 H ILE A 46 34.516 26.005 21.929 1.00 0.00 H new ATOM 0 HA ILE A 46 34.018 28.690 22.715 1.00 0.00 H new ATOM 0 HB ILE A 46 36.374 27.207 21.610 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.511 26.798 23.967 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.203 27.239 23.856 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.868 29.075 22.161 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.756 29.433 20.819 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.446 30.109 22.435 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.143 28.306 25.775 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.668 29.532 24.597 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.949 29.084 24.709 1.00 0.00 H new ATOM 774 N LYS A 47 34.193 28.285 19.442 1.00 0.00 N ATOM 775 CA LYS A 47 33.887 28.982 18.177 1.00 0.00 C ATOM 776 C LYS A 47 32.435 29.448 18.110 1.00 0.00 C ATOM 777 O LYS A 47 32.179 30.530 17.577 1.00 0.00 O ATOM 778 CB LYS A 47 34.229 28.089 16.972 1.00 0.00 C ATOM 779 CG LYS A 47 35.734 28.117 16.637 1.00 0.00 C ATOM 780 CD LYS A 47 36.162 29.388 15.887 1.00 0.00 C ATOM 781 CE LYS A 47 35.626 29.383 14.450 1.00 0.00 C ATOM 782 NZ LYS A 47 35.673 30.735 13.859 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.388 27.290 19.332 1.00 0.00 H new ATOM 0 HA LYS A 47 34.511 29.875 18.142 1.00 0.00 H new ATOM 0 HB2 LYS A 47 33.924 27.064 17.183 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.659 28.419 16.104 1.00 0.00 H new ATOM 0 HG2 LYS A 47 36.307 28.037 17.561 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.982 27.245 16.032 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.793 30.268 16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 37.250 29.458 15.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 36.215 28.696 13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 47 34.600 29.015 14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.305 30.702 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 35.091 31.383 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 36.656 31.074 13.845 1.00 0.00 H new ATOM 796 N LYS A 48 31.513 28.685 18.706 1.00 0.00 N ATOM 797 CA LYS A 48 30.130 29.098 18.960 1.00 0.00 C ATOM 798 C LYS A 48 30.033 30.197 20.027 1.00 0.00 C ATOM 799 O LYS A 48 29.270 31.139 19.865 1.00 0.00 O ATOM 800 CB LYS A 48 29.287 27.861 19.307 1.00 0.00 C ATOM 801 CG LYS A 48 29.008 27.029 18.041 1.00 0.00 C ATOM 802 CD LYS A 48 27.845 26.042 18.188 1.00 0.00 C ATOM 803 CE LYS A 48 28.061 24.915 19.202 1.00 0.00 C ATOM 804 NZ LYS A 48 26.904 23.988 19.176 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.713 27.740 19.033 1.00 0.00 H new ATOM 0 HA LYS A 48 29.727 29.548 18.053 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.811 27.251 20.043 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.346 28.170 19.761 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.794 27.706 17.214 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.909 26.476 17.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.953 26.599 18.474 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.644 25.597 17.214 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.978 24.374 18.968 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.183 25.331 20.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.953 23.348 19.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.020 24.535 19.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.926 23.430 18.299 1.00 0.00 H new ATOM 818 N PHE A 49 30.846 30.183 21.079 1.00 0.00 N ATOM 819 CA PHE A 49 30.825 31.260 22.079 1.00 0.00 C ATOM 820 C PHE A 49 31.327 32.625 21.576 1.00 0.00 C ATOM 821 O PHE A 49 30.990 33.636 22.191 1.00 0.00 O ATOM 822 CB PHE A 49 31.522 30.810 23.363 1.00 0.00 C ATOM 823 CG PHE A 49 30.901 29.613 24.063 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.500 29.473 24.133 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.722 28.644 24.672 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.924 28.372 24.782 1.00 0.00 C ATOM 827 CE2 PHE A 49 31.147 27.532 25.310 1.00 0.00 C ATOM 828 CZ PHE A 49 29.748 27.402 25.366 1.00 0.00 C ATOM 0 H PHE A 49 31.525 29.446 21.266 1.00 0.00 H new ATOM 0 HA PHE A 49 29.774 31.445 22.300 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.559 30.573 23.128 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.537 31.648 24.060 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.864 30.221 23.682 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.796 28.756 24.649 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.850 28.272 24.831 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.779 26.778 25.757 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.307 26.550 25.862 1.00 0.00 H new ATOM 838 N LEU A 50 32.029 32.678 20.437 1.00 0.00 N ATOM 839 CA LEU A 50 32.297 33.928 19.710 1.00 0.00 C ATOM 840 C LEU A 50 31.028 34.556 19.102 1.00 0.00 C ATOM 841 O LEU A 50 30.883 35.778 19.115 1.00 0.00 O ATOM 842 CB LEU A 50 33.312 33.678 18.584 1.00 0.00 C ATOM 843 CG LEU A 50 34.696 33.133 19.021 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.693 33.220 17.870 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.312 33.887 20.200 1.00 0.00 C ATOM 0 H LEU A 50 32.429 31.853 19.991 1.00 0.00 H new ATOM 0 HA LEU A 50 32.697 34.629 20.443 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.874 32.973 17.877 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.466 34.614 18.047 1.00 0.00 H new ATOM 0 HG LEU A 50 34.509 32.103 19.324 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.659 32.833 18.195 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.330 32.629 17.029 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.804 34.260 17.562 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.279 33.448 20.448 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.447 34.935 19.931 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.650 33.817 21.063 1.00 0.00 H new ATOM 857 N GLU A 51 30.111 33.741 18.564 1.00 0.00 N ATOM 858 CA GLU A 51 28.833 34.227 18.010 1.00 0.00 C ATOM 859 C GLU A 51 27.763 34.445 19.094 1.00 0.00 C ATOM 860 O GLU A 51 26.917 35.327 18.948 1.00 0.00 O ATOM 861 CB GLU A 51 28.321 33.334 16.864 1.00 0.00 C ATOM 862 CG GLU A 51 28.161 31.862 17.228 1.00 0.00 C ATOM 863 CD GLU A 51 27.434 31.036 16.157 1.00 0.00 C ATOM 864 OE1 GLU A 51 27.904 30.983 14.998 1.00 0.00 O ATOM 865 OE2 GLU A 51 26.388 30.414 16.452 1.00 0.00 O ATOM 0 H GLU A 51 30.230 32.730 18.499 1.00 0.00 H new ATOM 0 HA GLU A 51 29.039 35.207 17.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.359 33.717 16.525 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.010 33.414 16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.147 31.430 17.400 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.612 31.787 18.167 1.00 0.00 H new ATOM 872 N LEU A 52 27.837 33.699 20.205 1.00 0.00 N ATOM 873 CA LEU A 52 27.043 33.944 21.426 1.00 0.00 C ATOM 874 C LEU A 52 27.516 35.154 22.257 1.00 0.00 C ATOM 875 O LEU A 52 26.954 35.403 23.318 1.00 0.00 O ATOM 876 CB LEU A 52 26.923 32.679 22.314 1.00 0.00 C ATOM 877 CG LEU A 52 26.307 31.434 21.634 1.00 0.00 C ATOM 878 CD1 LEU A 52 25.828 30.452 22.702 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.094 31.738 20.749 1.00 0.00 C ATOM 0 H LEU A 52 28.459 32.895 20.286 1.00 0.00 H new ATOM 0 HA LEU A 52 26.050 34.200 21.057 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.917 32.417 22.676 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.321 32.928 23.188 1.00 0.00 H new ATOM 0 HG LEU A 52 27.100 31.029 21.005 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.394 29.575 22.222 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.672 30.147 23.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.076 30.933 23.327 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.723 30.812 20.310 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.309 32.194 21.352 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.386 32.424 19.954 1.00 0.00 H new ATOM 891 N GLN A 53 28.538 35.900 21.817 1.00 0.00 N ATOM 892 CA GLN A 53 29.191 37.014 22.539 1.00 0.00 C ATOM 893 C GLN A 53 29.896 36.644 23.859 1.00 0.00 C ATOM 894 O GLN A 53 30.603 37.477 24.429 1.00 0.00 O ATOM 895 CB GLN A 53 28.210 38.164 22.838 1.00 0.00 C ATOM 896 CG GLN A 53 27.214 38.546 21.734 1.00 0.00 C ATOM 897 CD GLN A 53 26.291 39.672 22.200 1.00 0.00 C ATOM 898 OE1 GLN A 53 26.097 39.917 23.386 1.00 0.00 O ATOM 899 NE2 GLN A 53 25.685 40.403 21.297 1.00 0.00 N ATOM 0 H GLN A 53 28.957 35.739 20.901 1.00 0.00 H new ATOM 0 HA GLN A 53 29.966 37.322 21.837 1.00 0.00 H new ATOM 0 HB2 GLN A 53 27.641 37.898 23.729 1.00 0.00 H new ATOM 0 HB3 GLN A 53 28.795 39.050 23.086 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.756 38.860 20.842 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.621 37.675 21.456 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.833 40.215 20.305 1.00 0.00 H new ATOM 0 HE22 GLN A 53 25.065 41.160 21.586 1.00 0.00 H new ATOM 908 N TYR A 54 29.688 35.437 24.389 1.00 0.00 N ATOM 909 CA TYR A 54 30.181 35.020 25.702 1.00 0.00 C ATOM 910 C TYR A 54 31.717 34.962 25.782 1.00 0.00 C ATOM 911 O TYR A 54 32.276 35.164 26.858 1.00 0.00 O ATOM 912 CB TYR A 54 29.568 33.652 26.049 1.00 0.00 C ATOM 913 CG TYR A 54 28.046 33.564 26.073 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.255 34.676 26.425 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.412 32.340 25.773 1.00 0.00 C ATOM 916 CE1 TYR A 54 25.856 34.568 26.484 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.011 32.223 25.843 1.00 0.00 C ATOM 918 CZ TYR A 54 25.225 33.341 26.193 1.00 0.00 C ATOM 919 OH TYR A 54 23.873 33.224 26.266 1.00 0.00 O ATOM 0 H TYR A 54 29.162 34.708 23.907 1.00 0.00 H new ATOM 0 HA TYR A 54 29.873 35.772 26.428 1.00 0.00 H new ATOM 0 HB2 TYR A 54 29.939 32.922 25.330 1.00 0.00 H new ATOM 0 HB3 TYR A 54 29.941 33.352 27.028 1.00 0.00 H new ATOM 0 HD1 TYR A 54 27.729 35.620 26.651 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.007 31.485 25.487 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.261 35.428 26.753 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.537 31.276 25.629 1.00 0.00 H new ATOM 0 HH TYR A 54 23.611 32.309 26.032 1.00 0.00 H new ATOM 929 N VAL A 55 32.404 34.698 24.664 1.00 0.00 N ATOM 930 CA VAL A 55 33.867 34.526 24.583 1.00 0.00 C ATOM 931 C VAL A 55 34.445 35.380 23.449 1.00 0.00 C ATOM 932 O VAL A 55 33.751 35.764 22.507 1.00 0.00 O ATOM 933 CB VAL A 55 34.247 33.034 24.432 1.00 0.00 C ATOM 934 CG1 VAL A 55 35.735 32.714 24.325 1.00 0.00 C ATOM 935 CG2 VAL A 55 33.708 32.189 25.600 1.00 0.00 C ATOM 0 H VAL A 55 31.945 34.594 23.759 1.00 0.00 H new ATOM 0 HA VAL A 55 34.308 34.873 25.518 1.00 0.00 H new ATOM 0 HB VAL A 55 33.786 32.784 23.476 1.00 0.00 H new ATOM 0 HG11 VAL A 55 35.869 31.637 24.223 1.00 0.00 H new ATOM 0 HG12 VAL A 55 36.153 33.216 23.452 1.00 0.00 H new ATOM 0 HG13 VAL A 55 36.247 33.060 25.223 1.00 0.00 H new ATOM 0 HG21 VAL A 55 33.995 31.147 25.458 1.00 0.00 H new ATOM 0 HG22 VAL A 55 34.125 32.556 26.538 1.00 0.00 H new ATOM 0 HG23 VAL A 55 32.621 32.265 25.633 1.00 0.00 H new ATOM 945 N LYS A 56 35.743 35.646 23.549 1.00 0.00 N ATOM 946 CA LYS A 56 36.572 36.464 22.645 1.00 0.00 C ATOM 947 C LYS A 56 37.999 35.922 22.528 1.00 0.00 C ATOM 948 O LYS A 56 38.470 35.189 23.394 1.00 0.00 O ATOM 949 CB LYS A 56 36.576 37.928 23.124 1.00 0.00 C ATOM 950 CG LYS A 56 35.420 38.768 22.563 1.00 0.00 C ATOM 951 CD LYS A 56 35.641 39.117 21.083 1.00 0.00 C ATOM 952 CE LYS A 56 34.361 39.694 20.483 1.00 0.00 C ATOM 953 NZ LYS A 56 34.548 40.061 19.062 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.294 35.270 24.321 1.00 0.00 H new ATOM 0 HA LYS A 56 36.134 36.415 21.648 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.529 37.944 24.213 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.521 38.391 22.839 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.484 38.220 22.672 1.00 0.00 H new ATOM 0 HG3 LYS A 56 35.321 39.686 23.143 1.00 0.00 H new ATOM 0 HD2 LYS A 56 36.453 39.838 20.989 1.00 0.00 H new ATOM 0 HD3 LYS A 56 35.940 38.226 20.532 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.556 38.964 20.569 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.056 40.573 21.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.660 40.450 18.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.300 40.775 18.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 34.815 39.216 18.518 1.00 0.00 H new ATOM 967 N GLU A 57 38.669 36.252 21.425 1.00 0.00 N ATOM 968 CA GLU A 57 39.912 35.615 20.979 1.00 0.00 C ATOM 969 C GLU A 57 41.178 36.456 21.245 1.00 0.00 C ATOM 970 O GLU A 57 41.281 37.617 20.839 1.00 0.00 O ATOM 971 CB GLU A 57 39.753 35.293 19.485 1.00 0.00 C ATOM 972 CG GLU A 57 40.869 34.387 18.955 1.00 0.00 C ATOM 973 CD GLU A 57 40.733 34.060 17.462 1.00 0.00 C ATOM 974 OE1 GLU A 57 41.502 33.200 16.966 1.00 0.00 O ATOM 975 OE2 GLU A 57 39.857 34.639 16.777 1.00 0.00 O ATOM 0 H GLU A 57 38.355 36.992 20.797 1.00 0.00 H new ATOM 0 HA GLU A 57 40.066 34.708 21.563 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.790 34.810 19.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.744 36.223 18.916 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.831 34.870 19.127 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.873 33.457 19.524 1.00 0.00 H new ATOM 982 N GLY A 58 42.171 35.839 21.887 1.00 0.00 N ATOM 983 CA GLY A 58 43.543 36.322 22.022 1.00 0.00 C ATOM 984 C GLY A 58 44.417 35.874 20.849 1.00 0.00 C ATOM 985 O GLY A 58 44.495 34.686 20.541 1.00 0.00 O ATOM 0 H GLY A 58 42.031 34.941 22.351 1.00 0.00 H new ATOM 0 HA2 GLY A 58 43.542 37.410 22.080 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.969 35.953 22.955 1.00 0.00 H new ATOM 989 N CYS A 59 45.012 36.861 20.181 1.00 0.00 N ATOM 990 CA CYS A 59 45.827 36.653 18.986 1.00 0.00 C ATOM 991 C CYS A 59 47.137 35.906 19.234 1.00 0.00 C ATOM 992 O CYS A 59 47.716 35.995 20.316 1.00 0.00 O ATOM 993 CB CYS A 59 46.137 38.002 18.332 1.00 0.00 C ATOM 994 SG CYS A 59 44.678 38.909 17.768 1.00 0.00 S ATOM 0 H CYS A 59 44.940 37.840 20.458 1.00 0.00 H new ATOM 0 HA CYS A 59 45.231 36.018 18.330 1.00 0.00 H new ATOM 0 HB2 CYS A 59 46.682 38.621 19.044 1.00 0.00 H new ATOM 0 HB3 CYS A 59 46.799 37.837 17.482 1.00 0.00 H new ATOM 0 HG CYS A 59 45.047 40.035 17.233 1.00 0.00 H new ATOM 1000 N LYS A 60 47.599 35.169 18.224 1.00 0.00 N ATOM 1001 CA LYS A 60 48.832 34.402 18.333 1.00 0.00 C ATOM 1002 C LYS A 60 50.084 35.218 18.008 1.00 0.00 C ATOM 1003 O LYS A 60 50.727 34.997 16.982 1.00 0.00 O ATOM 1004 CB LYS A 60 48.768 33.189 17.402 1.00 0.00 C ATOM 1005 CG LYS A 60 49.978 32.274 17.488 1.00 0.00 C ATOM 1006 CD LYS A 60 49.827 31.067 16.575 1.00 0.00 C ATOM 1007 CE LYS A 60 51.044 30.159 16.637 1.00 0.00 C ATOM 1008 NZ LYS A 60 50.911 28.972 15.748 1.00 0.00 N1+ ATOM 0 H LYS A 60 47.134 35.089 17.320 1.00 0.00 H new ATOM 0 HA LYS A 60 48.913 34.091 19.374 1.00 0.00 H new ATOM 0 HB2 LYS A 60 47.873 32.612 17.636 1.00 0.00 H new ATOM 0 HB3 LYS A 60 48.663 33.538 16.375 1.00 0.00 H new ATOM 0 HG2 LYS A 60 50.876 32.829 17.215 1.00 0.00 H new ATOM 0 HG3 LYS A 60 50.111 31.940 18.517 1.00 0.00 H new ATOM 0 HD2 LYS A 60 48.938 30.504 16.860 1.00 0.00 H new ATOM 0 HD3 LYS A 60 49.676 31.403 15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 60 51.931 30.725 16.353 1.00 0.00 H new ATOM 0 HE3 LYS A 60 51.194 29.826 17.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 51.765 28.383 15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 50.080 28.416 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 50.795 29.287 14.764 1.00 0.00 H new ATOM 1022 N GLN A 61 50.427 36.156 18.884 1.00 0.00 N ATOM 1023 CA GLN A 61 51.633 36.957 18.723 1.00 0.00 C ATOM 1024 C GLN A 61 52.453 36.588 19.949 1.00 0.00 C ATOM 1025 O GLN A 61 51.965 36.739 21.069 1.00 0.00 O ATOM 1026 CB GLN A 61 51.306 38.448 18.721 1.00 0.00 C ATOM 1027 CG GLN A 61 52.528 39.348 18.808 1.00 0.00 C ATOM 1028 CD GLN A 61 53.495 39.134 17.660 1.00 0.00 C ATOM 1029 OE1 GLN A 61 53.247 38.324 16.767 1.00 0.00 O ATOM 1030 NE2 GLN A 61 54.604 39.864 17.676 1.00 0.00 N ATOM 0 H GLN A 61 49.883 36.380 19.717 1.00 0.00 H new ATOM 0 HA GLN A 61 52.150 36.768 17.782 1.00 0.00 H new ATOM 0 HB2 GLN A 61 50.755 38.688 17.812 1.00 0.00 H new ATOM 0 HB3 GLN A 61 50.646 38.666 19.561 1.00 0.00 H new ATOM 0 HG2 GLN A 61 52.207 40.390 18.818 1.00 0.00 H new ATOM 0 HG3 GLN A 61 53.043 39.164 19.751 1.00 0.00 H new ATOM 0 HE21 GLN A 61 54.769 40.524 18.436 1.00 0.00 H new ATOM 0 HE22 GLN A 61 55.291 39.765 16.928 1.00 0.00 H new ATOM 1039 N GLY A 62 53.685 36.107 19.780 1.00 0.00 N ATOM 1040 CA GLY A 62 54.509 35.664 20.903 1.00 0.00 C ATOM 1041 C GLY A 62 54.160 34.281 21.470 1.00 0.00 C ATOM 1042 O GLY A 62 55.011 33.392 21.461 1.00 0.00 O ATOM 0 H GLY A 62 54.136 36.014 18.870 1.00 0.00 H new ATOM 0 HA2 GLY A 62 55.552 35.655 20.585 1.00 0.00 H new ATOM 0 HA3 GLY A 62 54.426 36.398 21.704 1.00 0.00 H new ATOM 1046 N ILE A 63 52.908 34.121 21.880 1.00 0.00 N ATOM 1047 CA ILE A 63 52.422 32.893 22.486 1.00 0.00 C ATOM 1048 C ILE A 63 51.193 32.384 21.746 1.00 0.00 C ATOM 1049 O ILE A 63 50.608 33.090 20.925 1.00 0.00 O ATOM 1050 CB ILE A 63 52.066 33.104 23.970 1.00 0.00 C ATOM 1051 CG1 ILE A 63 50.878 34.058 24.101 1.00 0.00 C ATOM 1052 CG2 ILE A 63 53.266 33.646 24.731 1.00 0.00 C ATOM 1053 CD1 ILE A 63 50.440 34.289 25.531 1.00 0.00 C ATOM 0 H ILE A 63 52.197 34.848 21.799 1.00 0.00 H new ATOM 0 HA ILE A 63 53.223 32.156 22.418 1.00 0.00 H new ATOM 0 HB ILE A 63 51.788 32.142 24.400 1.00 0.00 H new ATOM 0 HG12 ILE A 63 51.141 35.016 23.651 1.00 0.00 H new ATOM 0 HG13 ILE A 63 50.038 33.659 23.533 1.00 0.00 H new ATOM 0 HG21 ILE A 63 52.998 33.790 25.778 1.00 0.00 H new ATOM 0 HG22 ILE A 63 54.091 32.937 24.661 1.00 0.00 H new ATOM 0 HG23 ILE A 63 53.570 34.600 24.300 1.00 0.00 H new ATOM 0 HD11 ILE A 63 49.594 34.976 25.546 1.00 0.00 H new ATOM 0 HD12 ILE A 63 50.145 33.340 25.979 1.00 0.00 H new ATOM 0 HD13 ILE A 63 51.265 34.718 26.099 1.00 0.00 H new ATOM 1065 N SER A 64 50.810 31.148 22.048 1.00 0.00 N ATOM 1066 CA SER A 64 49.669 30.496 21.411 1.00 0.00 C ATOM 1067 C SER A 64 48.339 31.184 21.736 1.00 0.00 C ATOM 1068 O SER A 64 48.193 31.849 22.763 1.00 0.00 O ATOM 1069 CB SER A 64 49.603 29.026 21.831 1.00 0.00 C ATOM 1070 OG SER A 64 49.464 28.903 23.236 1.00 0.00 O ATOM 0 H SER A 64 51.282 30.568 22.742 1.00 0.00 H new ATOM 0 HA SER A 64 49.820 30.572 20.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 48.762 28.540 21.335 1.00 0.00 H new ATOM 0 HB3 SER A 64 50.506 28.510 21.505 1.00 0.00 H new ATOM 0 HG SER A 64 49.422 27.954 23.479 1.00 0.00 H new ATOM 1076 N LYS A 65 47.350 30.940 20.885 1.00 0.00 N ATOM 1077 CA LYS A 65 46.045 31.579 21.005 1.00 0.00 C ATOM 1078 C LYS A 65 45.367 31.245 22.322 1.00 0.00 C ATOM 1079 O LYS A 65 45.565 30.169 22.886 1.00 0.00 O ATOM 1080 CB LYS A 65 45.145 31.163 19.839 1.00 0.00 C ATOM 1081 CG LYS A 65 44.903 29.665 19.746 1.00 0.00 C ATOM 1082 CD LYS A 65 44.012 29.322 18.563 1.00 0.00 C ATOM 1083 CE LYS A 65 44.620 29.799 17.254 1.00 0.00 C ATOM 1084 NZ LYS A 65 43.746 29.497 16.087 1.00 0.00 N1+ ATOM 0 H LYS A 65 47.429 30.298 20.097 1.00 0.00 H new ATOM 0 HA LYS A 65 46.207 32.657 20.978 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.185 31.670 19.936 1.00 0.00 H new ATOM 0 HB3 LYS A 65 45.594 31.506 18.907 1.00 0.00 H new ATOM 0 HG2 LYS A 65 45.856 29.146 19.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 44.440 29.311 20.667 1.00 0.00 H new ATOM 0 HD2 LYS A 65 43.857 28.244 18.523 1.00 0.00 H new ATOM 0 HD3 LYS A 65 43.032 29.780 18.699 1.00 0.00 H new ATOM 0 HE2 LYS A 65 44.795 30.874 17.307 1.00 0.00 H new ATOM 0 HE3 LYS A 65 45.591 29.324 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 44.199 29.839 15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 43.599 28.470 16.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 42.828 29.971 16.209 1.00 0.00 H new ATOM 1098 N THR A 66 44.564 32.187 22.806 1.00 0.00 N ATOM 1099 CA THR A 66 43.877 32.004 24.100 1.00 0.00 C ATOM 1100 C THR A 66 42.487 32.654 24.048 1.00 0.00 C ATOM 1101 O THR A 66 42.211 33.369 23.088 1.00 0.00 O ATOM 1102 CB THR A 66 44.771 32.562 25.217 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.202 32.341 26.484 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.084 34.051 25.071 1.00 0.00 C ATOM 0 H THR A 66 44.369 33.073 22.339 1.00 0.00 H new ATOM 0 HA THR A 66 43.712 30.948 24.312 1.00 0.00 H new ATOM 0 HB THR A 66 45.710 32.017 25.123 1.00 0.00 H new ATOM 0 HG1 THR A 66 44.793 32.705 27.176 1.00 0.00 H new ATOM 0 HG21 THR A 66 45.719 34.372 25.896 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.601 34.223 24.127 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.155 34.621 25.085 1.00 0.00 H new ATOM 1112 N PHE A 67 41.587 32.412 25.007 1.00 0.00 N ATOM 1113 CA PHE A 67 40.192 32.895 24.919 1.00 0.00 C ATOM 1114 C PHE A 67 39.658 33.482 26.235 1.00 0.00 C ATOM 1115 O PHE A 67 39.485 32.758 27.213 1.00 0.00 O ATOM 1116 CB PHE A 67 39.277 31.778 24.384 1.00 0.00 C ATOM 1117 CG PHE A 67 39.559 31.353 22.954 1.00 0.00 C ATOM 1118 CD1 PHE A 67 40.500 30.338 22.702 1.00 0.00 C ATOM 1119 CD2 PHE A 67 38.889 31.966 21.875 1.00 0.00 C ATOM 1120 CE1 PHE A 67 40.787 29.955 21.382 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.160 31.563 20.556 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.115 30.562 20.307 1.00 0.00 C ATOM 0 H PHE A 67 41.793 31.885 25.856 1.00 0.00 H new ATOM 0 HA PHE A 67 40.190 33.726 24.214 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.373 30.907 25.032 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.242 32.113 24.451 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.003 29.852 23.525 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.166 32.746 22.063 1.00 0.00 H new ATOM 0 HE1 PHE A 67 41.527 29.191 21.192 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.634 32.023 19.733 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.332 30.260 19.293 1.00 0.00 H new ATOM 1132 N TYR A 68 39.383 34.793 26.276 1.00 0.00 N ATOM 1133 CA TYR A 68 38.765 35.451 27.441 1.00 0.00 C ATOM 1134 C TYR A 68 37.240 35.499 27.345 1.00 0.00 C ATOM 1135 O TYR A 68 36.647 35.249 26.295 1.00 0.00 O ATOM 1136 CB TYR A 68 39.349 36.844 27.711 1.00 0.00 C ATOM 1137 CG TYR A 68 38.952 37.928 26.734 1.00 0.00 C ATOM 1138 CD1 TYR A 68 37.732 38.621 26.892 1.00 0.00 C ATOM 1139 CD2 TYR A 68 39.844 38.272 25.701 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.413 39.674 26.012 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.528 39.328 24.828 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.313 40.029 24.985 1.00 0.00 C ATOM 1143 OH TYR A 68 38.021 41.054 24.145 1.00 0.00 O ATOM 0 H TYR A 68 39.582 35.429 25.504 1.00 0.00 H new ATOM 0 HA TYR A 68 39.015 34.827 28.299 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.048 37.155 28.711 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.436 36.766 27.715 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.048 38.346 27.682 1.00 0.00 H new ATOM 0 HD2 TYR A 68 40.768 37.727 25.579 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.481 40.209 26.123 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.213 39.602 24.039 1.00 0.00 H new ATOM 0 HH TYR A 68 38.749 41.164 23.498 1.00 0.00 H new ATOM 1153 N ILE A 69 36.606 35.818 28.473 1.00 0.00 N ATOM 1154 CA ILE A 69 35.163 35.701 28.677 1.00 0.00 C ATOM 1155 C ILE A 69 34.596 37.067 29.066 1.00 0.00 C ATOM 1156 O ILE A 69 35.152 37.773 29.910 1.00 0.00 O ATOM 1157 CB ILE A 69 34.869 34.565 29.682 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.470 33.231 29.162 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.357 34.401 29.910 1.00 0.00 C ATOM 1160 CD1 ILE A 69 36.844 32.888 29.758 1.00 0.00 C ATOM 0 H ILE A 69 37.096 36.175 29.293 1.00 0.00 H new ATOM 0 HA ILE A 69 34.651 35.415 27.758 1.00 0.00 H new ATOM 0 HB ILE A 69 35.331 34.827 30.634 1.00 0.00 H new ATOM 0 HG12 ILE A 69 34.776 32.421 29.386 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.559 33.284 28.077 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.182 33.594 30.622 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.946 35.330 30.306 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.870 34.163 28.964 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.194 31.942 29.344 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.555 33.677 29.512 1.00 0.00 H new ATOM 0 HD13 ILE A 69 36.759 32.801 30.841 1.00 0.00 H new ATOM 1172 N THR A 70 33.531 37.470 28.377 1.00 0.00 N ATOM 1173 CA THR A 70 32.952 38.811 28.428 1.00 0.00 C ATOM 1174 C THR A 70 31.972 38.958 29.607 1.00 0.00 C ATOM 1175 O THR A 70 31.452 37.954 30.111 1.00 0.00 O ATOM 1176 CB THR A 70 32.224 39.079 27.096 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.110 38.228 26.964 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.124 38.897 25.872 1.00 0.00 C ATOM 0 H THR A 70 33.028 36.848 27.744 1.00 0.00 H new ATOM 0 HA THR A 70 33.751 39.538 28.578 1.00 0.00 H new ATOM 0 HB THR A 70 31.911 40.122 27.130 1.00 0.00 H new ATOM 0 HG1 THR A 70 30.985 37.997 26.020 1.00 0.00 H new ATOM 0 HG21 THR A 70 32.552 39.100 24.967 1.00 0.00 H new ATOM 0 HG22 THR A 70 33.965 39.588 25.933 1.00 0.00 H new ATOM 0 HG23 THR A 70 33.497 37.873 25.844 1.00 0.00 H new ATOM 1186 N PRO A 71 31.621 40.191 30.037 1.00 0.00 N ATOM 1187 CA PRO A 71 30.533 40.391 31.004 1.00 0.00 C ATOM 1188 C PRO A 71 29.198 39.813 30.505 1.00 0.00 C ATOM 1189 O PRO A 71 28.431 39.273 31.300 1.00 0.00 O ATOM 1190 CB PRO A 71 30.449 41.906 31.221 1.00 0.00 C ATOM 1191 CG PRO A 71 30.989 42.470 29.908 1.00 0.00 C ATOM 1192 CD PRO A 71 32.110 41.485 29.575 1.00 0.00 C ATOM 0 HA PRO A 71 30.735 39.863 31.936 1.00 0.00 H new ATOM 0 HB2 PRO A 71 29.426 42.231 31.410 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.047 42.226 32.074 1.00 0.00 H new ATOM 0 HG2 PRO A 71 30.225 42.497 29.131 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.361 43.488 30.024 1.00 0.00 H new ATOM 0 HD2 PRO A 71 32.318 41.470 28.505 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.038 41.759 30.076 1.00 0.00 H new ATOM 1200 N ASN A 72 28.955 39.834 29.188 1.00 0.00 N ATOM 1201 CA ASN A 72 27.763 39.259 28.562 1.00 0.00 C ATOM 1202 C ASN A 72 27.647 37.743 28.841 1.00 0.00 C ATOM 1203 O ASN A 72 26.540 37.223 28.973 1.00 0.00 O ATOM 1204 CB ASN A 72 27.763 39.539 27.038 1.00 0.00 C ATOM 1205 CG ASN A 72 27.510 40.984 26.621 1.00 0.00 C ATOM 1206 OD1 ASN A 72 26.929 41.788 27.335 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.942 41.380 25.450 1.00 0.00 N ATOM 0 H ASN A 72 29.595 40.260 28.517 1.00 0.00 H new ATOM 0 HA ASN A 72 26.891 39.740 29.005 1.00 0.00 H new ATOM 0 HB2 ASN A 72 28.726 39.228 26.632 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.004 38.910 26.574 1.00 0.00 H new ATOM 0 HD21 ASN A 72 27.791 42.343 25.150 1.00 0.00 H new ATOM 0 HD22 ASN A 72 28.429 40.725 24.838 1.00 0.00 H new ATOM 1214 N GLY A 73 28.782 37.038 28.964 1.00 0.00 N ATOM 1215 CA GLY A 73 28.836 35.643 29.411 1.00 0.00 C ATOM 1216 C GLY A 73 28.687 35.476 30.927 1.00 0.00 C ATOM 1217 O GLY A 73 27.985 34.564 31.362 1.00 0.00 O ATOM 0 H GLY A 73 29.700 37.429 28.752 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.046 35.080 28.913 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.784 35.207 29.098 1.00 0.00 H new ATOM 1221 N ILE A 74 29.279 36.365 31.738 1.00 0.00 N ATOM 1222 CA ILE A 74 29.180 36.330 33.215 1.00 0.00 C ATOM 1223 C ILE A 74 27.724 36.355 33.696 1.00 0.00 C ATOM 1224 O ILE A 74 27.390 35.646 34.647 1.00 0.00 O ATOM 1225 CB ILE A 74 29.998 37.475 33.859 1.00 0.00 C ATOM 1226 CG1 ILE A 74 31.488 37.141 33.668 1.00 0.00 C ATOM 1227 CG2 ILE A 74 29.698 37.668 35.361 1.00 0.00 C ATOM 1228 CD1 ILE A 74 32.449 38.252 34.089 1.00 0.00 C ATOM 0 H ILE A 74 29.846 37.138 31.390 1.00 0.00 H new ATOM 0 HA ILE A 74 29.610 35.383 33.540 1.00 0.00 H new ATOM 0 HB ILE A 74 29.722 38.411 33.372 1.00 0.00 H new ATOM 0 HG12 ILE A 74 31.721 36.242 34.238 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.662 36.907 32.618 1.00 0.00 H new ATOM 0 HG21 ILE A 74 30.304 38.486 35.751 1.00 0.00 H new ATOM 0 HG22 ILE A 74 28.642 37.904 35.494 1.00 0.00 H new ATOM 0 HG23 ILE A 74 29.936 36.751 35.900 1.00 0.00 H new ATOM 0 HD11 ILE A 74 33.476 37.929 33.919 1.00 0.00 H new ATOM 0 HD12 ILE A 74 32.249 39.148 33.502 1.00 0.00 H new ATOM 0 HD13 ILE A 74 32.309 38.473 35.147 1.00 0.00 H new ATOM 1240 N GLU A 75 26.852 37.104 33.014 1.00 0.00 N ATOM 1241 CA GLU A 75 25.412 37.189 33.309 1.00 0.00 C ATOM 1242 C GLU A 75 24.747 35.807 33.374 1.00 0.00 C ATOM 1243 O GLU A 75 23.947 35.537 34.269 1.00 0.00 O ATOM 1244 CB GLU A 75 24.709 38.014 32.218 1.00 0.00 C ATOM 1245 CG GLU A 75 25.114 39.499 32.211 1.00 0.00 C ATOM 1246 CD GLU A 75 24.481 40.320 31.088 1.00 0.00 C ATOM 1247 OE1 GLU A 75 23.858 39.744 30.165 1.00 0.00 O ATOM 1248 OE2 GLU A 75 24.498 41.569 31.197 1.00 0.00 O ATOM 0 H GLU A 75 27.131 37.683 32.222 1.00 0.00 H new ATOM 0 HA GLU A 75 25.313 37.664 34.285 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.935 37.580 31.244 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.630 37.941 32.357 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.840 39.943 33.168 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.199 39.567 32.127 1.00 0.00 H new ATOM 1255 N LYS A 76 25.125 34.902 32.464 1.00 0.00 N ATOM 1256 CA LYS A 76 24.604 33.527 32.399 1.00 0.00 C ATOM 1257 C LYS A 76 25.023 32.717 33.622 1.00 0.00 C ATOM 1258 O LYS A 76 24.253 31.922 34.156 1.00 0.00 O ATOM 1259 CB LYS A 76 25.121 32.837 31.122 1.00 0.00 C ATOM 1260 CG LYS A 76 25.031 33.681 29.839 1.00 0.00 C ATOM 1261 CD LYS A 76 23.639 34.243 29.526 1.00 0.00 C ATOM 1262 CE LYS A 76 22.644 33.101 29.309 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.385 33.578 28.700 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.813 35.106 31.739 1.00 0.00 H new ATOM 0 HA LYS A 76 23.515 33.577 32.380 1.00 0.00 H new ATOM 0 HB2 LYS A 76 26.161 32.552 31.278 1.00 0.00 H new ATOM 0 HB3 LYS A 76 24.557 31.916 30.972 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.732 34.512 29.920 1.00 0.00 H new ATOM 0 HG3 LYS A 76 25.357 33.070 28.997 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.302 34.877 30.346 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.684 34.870 28.636 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.094 32.344 28.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.427 32.622 30.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.593 32.997 29.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.225 34.571 28.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.450 33.503 27.665 1.00 0.00 H new ATOM 1277 N LEU A 77 26.244 32.950 34.103 1.00 0.00 N ATOM 1278 CA LEU A 77 26.825 32.234 35.240 1.00 0.00 C ATOM 1279 C LEU A 77 26.088 32.568 36.553 1.00 0.00 C ATOM 1280 O LEU A 77 26.212 31.833 37.532 1.00 0.00 O ATOM 1281 CB LEU A 77 28.346 32.495 35.330 1.00 0.00 C ATOM 1282 CG LEU A 77 29.094 32.617 33.984 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.580 32.904 34.196 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.964 31.412 33.056 1.00 0.00 C ATOM 0 H LEU A 77 26.868 33.653 33.707 1.00 0.00 H new ATOM 0 HA LEU A 77 26.691 31.164 35.078 1.00 0.00 H new ATOM 0 HB2 LEU A 77 28.504 33.414 35.895 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.800 31.686 35.903 1.00 0.00 H new ATOM 0 HG LEU A 77 28.599 33.453 33.490 1.00 0.00 H new ATOM 0 HD11 LEU A 77 31.077 32.984 33.229 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.695 33.840 34.742 1.00 0.00 H new ATOM 0 HD13 LEU A 77 31.029 32.093 34.769 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.524 31.597 32.139 1.00 0.00 H new ATOM 0 HD22 LEU A 77 29.361 30.526 33.552 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.914 31.251 32.813 1.00 0.00 H new ATOM 1296 N LYS A 78 25.312 33.666 36.576 1.00 0.00 N ATOM 1297 CA LYS A 78 24.381 34.055 37.642 1.00 0.00 C ATOM 1298 C LYS A 78 23.005 33.363 37.578 1.00 0.00 C ATOM 1299 O LYS A 78 22.220 33.512 38.511 1.00 0.00 O ATOM 1300 CB LYS A 78 24.161 35.581 37.629 1.00 0.00 C ATOM 1301 CG LYS A 78 25.398 36.452 37.360 1.00 0.00 C ATOM 1302 CD LYS A 78 26.555 36.228 38.347 1.00 0.00 C ATOM 1303 CE LYS A 78 27.887 36.772 37.825 1.00 0.00 C ATOM 1304 NZ LYS A 78 28.992 36.525 38.780 1.00 0.00 N1+ ATOM 0 H LYS A 78 25.320 34.339 35.810 1.00 0.00 H new ATOM 0 HA LYS A 78 24.858 33.727 38.565 1.00 0.00 H new ATOM 0 HB2 LYS A 78 23.411 35.811 36.872 1.00 0.00 H new ATOM 0 HB3 LYS A 78 23.742 35.873 38.592 1.00 0.00 H new ATOM 0 HG2 LYS A 78 25.755 36.254 36.349 1.00 0.00 H new ATOM 0 HG3 LYS A 78 25.104 37.501 37.395 1.00 0.00 H new ATOM 0 HD2 LYS A 78 26.317 36.709 39.296 1.00 0.00 H new ATOM 0 HD3 LYS A 78 26.656 35.161 38.547 1.00 0.00 H new ATOM 0 HE2 LYS A 78 28.121 36.304 36.869 1.00 0.00 H new ATOM 0 HE3 LYS A 78 27.796 37.843 37.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 29.878 36.907 38.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 28.780 36.992 39.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 29.095 35.502 38.935 1.00 0.00 H new ATOM 1318 N SER A 79 22.742 32.635 36.498 1.00 0.00 N ATOM 1319 CA SER A 79 21.472 31.939 36.330 1.00 0.00 C ATOM 1320 C SER A 79 21.464 30.544 36.944 1.00 0.00 C ATOM 1321 O SER A 79 20.531 29.769 36.735 1.00 0.00 O ATOM 1322 CB SER A 79 21.042 31.969 34.862 1.00 0.00 C ATOM 1323 OG SER A 79 21.909 31.184 34.061 1.00 0.00 O ATOM 0 H SER A 79 23.394 32.512 35.724 1.00 0.00 H new ATOM 0 HA SER A 79 20.716 32.479 36.900 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.021 31.597 34.771 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.040 32.998 34.501 1.00 0.00 H new ATOM 0 HG SER A 79 22.670 31.729 33.772 1.00 0.00 H new ATOM 1329 N ILE A 80 22.486 30.224 37.732 1.00 0.00 N ATOM 1330 CA ILE A 80 22.594 28.896 38.343 1.00 0.00 C ATOM 1331 C ILE A 80 22.229 28.899 39.826 1.00 0.00 C ATOM 1332 O ILE A 80 22.682 29.759 40.581 1.00 0.00 O ATOM 1333 CB ILE A 80 24.019 28.333 38.193 1.00 0.00 C ATOM 1334 CG1 ILE A 80 24.429 28.311 36.719 1.00 0.00 C ATOM 1335 CG2 ILE A 80 24.103 26.936 38.788 1.00 0.00 C ATOM 1336 CD1 ILE A 80 25.832 27.795 36.486 1.00 0.00 C ATOM 0 H ILE A 80 23.249 30.860 37.964 1.00 0.00 H new ATOM 0 HA ILE A 80 21.881 28.265 37.812 1.00 0.00 H new ATOM 0 HB ILE A 80 24.707 28.981 38.735 1.00 0.00 H new ATOM 0 HG12 ILE A 80 23.726 27.689 36.165 1.00 0.00 H new ATOM 0 HG13 ILE A 80 24.350 29.320 36.314 1.00 0.00 H new ATOM 0 HG21 ILE A 80 25.117 26.552 38.674 1.00 0.00 H new ATOM 0 HG22 ILE A 80 23.847 26.975 39.847 1.00 0.00 H new ATOM 0 HG23 ILE A 80 23.405 26.278 38.270 1.00 0.00 H new ATOM 0 HD11 ILE A 80 26.052 27.808 35.419 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.545 28.430 37.012 1.00 0.00 H new ATOM 0 HD13 ILE A 80 25.911 26.774 36.860 1.00 0.00 H new ATOM 1348 N MET A 81 21.408 27.934 40.240 1.00 0.00 N ATOM 1349 CA MET A 81 20.977 27.846 41.629 1.00 0.00 C ATOM 1350 C MET A 81 20.505 26.434 41.955 1.00 0.00 C ATOM 1351 O MET A 81 20.542 26.004 43.108 1.00 0.00 O ATOM 1352 CB MET A 81 19.850 28.845 41.899 1.00 0.00 C ATOM 1353 CG MET A 81 18.617 28.633 41.036 1.00 0.00 C ATOM 1354 SD MET A 81 17.319 29.840 41.369 1.00 0.00 S ATOM 1355 CE MET A 81 16.999 29.523 43.102 1.00 0.00 C ATOM 1356 OXT MET A 81 20.074 25.691 41.074 1.00 0.00 O ATOM 0 H MET A 81 21.031 27.206 39.633 1.00 0.00 H new ATOM 0 HA MET A 81 21.827 28.087 42.267 1.00 0.00 H new ATOM 0 HB2 MET A 81 19.563 28.778 42.948 1.00 0.00 H new ATOM 0 HB3 MET A 81 20.226 29.855 41.735 1.00 0.00 H new ATOM 0 HG2 MET A 81 18.900 28.690 39.985 1.00 0.00 H new ATOM 0 HG3 MET A 81 18.227 27.630 41.207 1.00 0.00 H new ATOM 0 HE1 MET A 81 16.016 29.912 43.368 1.00 0.00 H new ATOM 0 HE2 MET A 81 17.026 28.449 43.287 1.00 0.00 H new ATOM 0 HE3 MET A 81 17.760 30.015 43.708 1.00 0.00 H new TER 1366 MET A 81