USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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: B 49 THR OG1 : rot -35:sc= 0.388 USER MOD Set 1.2: B 51 THR OG1 : rot 63:sc= 1.26 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.00429 USER MOD Set 2.2: B 33 TYR OH : rot 150:sc= 0 USER MOD Set 3.1: B 8 ASN : amide:sc= 0.745 K(o=0.75,f=0) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 49 THR OG1 : rot -36:sc= 0.587 USER MOD Set 4.2: A 51 THR OG1 : rot 59:sc= 1.11 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.603 (180deg=0.584) USER MOD Single : A 2 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 3 TYR OH : rot 165:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0.918) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 1.15 (180deg=0.599) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 48:sc= 1.28 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.975) USER MOD Single : A 32 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -176:sc= 0 (180deg=-0.0222) USER MOD Single : B 1 MET N :NH3+ 174:sc= 0.598 (180deg=0.582) USER MOD Single : B 2 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : B 3 TYR OH : rot 80:sc= 0.275 USER MOD Single : B 4 LYS NZ :NH3+ 173:sc= 1.13 (180deg=1.08) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot -170:sc= -0.0361 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 86:sc= 1.23 USER MOD Single : B 25 THR OG1 : rot -130:sc= -0.0013 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -139:sc= 0.317 (180deg=0.0484) USER MOD Single : B 32 GLN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : B 35 ASN : amide:sc= 0.85 K(o=0.85,f=-0.082) USER MOD Single : B 37 ASN : amide:sc= 0.543 K(o=0.54,f=-0.012) USER MOD Single : B 44 THR OG1 : rot 73:sc= 0.301 USER MOD Single : B 45 TYR OH : rot -159:sc= 1.26 USER MOD Single : B 50 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.87) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.458 9.171 -16.984 1.00 0.00 N ATOM 2 CA MET A 1 -5.468 8.126 -16.671 1.00 0.00 C ATOM 3 C MET A 1 -5.219 7.545 -15.282 1.00 0.00 C ATOM 4 O MET A 1 -4.068 7.373 -14.883 1.00 0.00 O ATOM 5 CB MET A 1 -5.472 7.040 -17.768 1.00 0.00 C ATOM 6 CG MET A 1 -6.439 5.870 -17.528 1.00 0.00 C ATOM 7 SD MET A 1 -8.185 6.300 -17.256 1.00 0.00 S ATOM 8 CE MET A 1 -8.638 6.944 -18.890 1.00 0.00 C ATOM 0 H1 MET A 1 -4.566 9.473 -17.973 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.597 9.988 -16.356 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.503 8.784 -16.842 1.00 0.00 H new ATOM 0 HA MET A 1 -6.460 8.577 -16.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.723 7.509 -18.720 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.462 6.641 -17.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.383 5.200 -18.386 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.087 5.309 -16.662 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.684 7.250 -18.883 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.010 7.802 -19.130 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.492 6.167 -19.640 1.00 0.00 H new ATOM 20 N GLN A 2 -6.291 7.269 -14.532 1.00 0.00 N ATOM 21 CA GLN A 2 -6.237 6.569 -13.234 1.00 0.00 C ATOM 22 C GLN A 2 -5.940 5.067 -13.425 1.00 0.00 C ATOM 23 O GLN A 2 -6.568 4.406 -14.255 1.00 0.00 O ATOM 24 CB GLN A 2 -7.576 6.742 -12.489 1.00 0.00 C ATOM 25 CG GLN A 2 -7.469 6.459 -10.981 1.00 0.00 C ATOM 26 CD GLN A 2 -7.113 7.701 -10.196 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.976 8.439 -9.738 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.841 7.970 -10.014 1.00 0.00 N ATOM 0 H GLN A 2 -7.238 7.528 -14.810 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.431 7.007 -12.645 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.938 7.759 -12.637 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.317 6.073 -12.926 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.417 6.060 -10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.714 5.692 -10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.128 7.350 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.565 8.799 -9.488 1.00 0.00 H new ATOM 37 N TYR A 3 -4.996 4.532 -12.653 1.00 0.00 N ATOM 38 CA TYR A 3 -4.696 3.097 -12.526 1.00 0.00 C ATOM 39 C TYR A 3 -4.754 2.630 -11.057 1.00 0.00 C ATOM 40 O TYR A 3 -4.615 3.447 -10.144 1.00 0.00 O ATOM 41 CB TYR A 3 -3.334 2.814 -13.164 1.00 0.00 C ATOM 42 CG TYR A 3 -3.279 3.112 -14.654 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.683 2.134 -15.583 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.860 4.375 -15.113 1.00 0.00 C ATOM 45 CE1 TYR A 3 -3.701 2.433 -16.959 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.852 4.662 -16.490 1.00 0.00 C ATOM 47 CZ TYR A 3 -3.288 3.697 -17.410 1.00 0.00 C ATOM 48 OH TYR A 3 -3.315 3.990 -18.739 1.00 0.00 O ATOM 0 H TYR A 3 -4.389 5.109 -12.070 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.458 2.524 -13.054 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.575 3.409 -12.656 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.079 1.767 -13.003 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.979 1.154 -15.240 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.543 5.127 -14.405 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.033 1.689 -17.668 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.510 5.625 -16.839 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.233 4.959 -18.862 1.00 0.00 H new ATOM 58 N LYS A 4 -4.906 1.326 -10.817 1.00 0.00 N ATOM 59 CA LYS A 4 -5.118 0.723 -9.487 1.00 0.00 C ATOM 60 C LYS A 4 -4.243 -0.532 -9.250 1.00 0.00 C ATOM 61 O LYS A 4 -3.865 -1.213 -10.198 1.00 0.00 O ATOM 62 CB LYS A 4 -6.621 0.408 -9.362 1.00 0.00 C ATOM 63 CG LYS A 4 -7.040 -0.036 -7.953 1.00 0.00 C ATOM 64 CD LYS A 4 -8.535 -0.360 -7.873 1.00 0.00 C ATOM 65 CE LYS A 4 -8.827 -0.876 -6.463 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.220 -1.335 -6.307 1.00 0.00 N ATOM 0 H LYS A 4 -4.885 0.632 -11.564 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.809 1.426 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.194 1.293 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.880 -0.376 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.463 -0.914 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.801 0.752 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.130 0.528 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.804 -1.110 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.149 -1.698 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.626 -0.085 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.319 -1.843 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.859 -0.514 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.465 -1.972 -7.091 1.00 0.00 H new ATOM 80 N LEU A 5 -3.956 -0.862 -7.987 1.00 0.00 N ATOM 81 CA LEU A 5 -3.123 -1.968 -7.498 1.00 0.00 C ATOM 82 C LEU A 5 -3.828 -2.703 -6.339 1.00 0.00 C ATOM 83 O LEU A 5 -4.346 -2.062 -5.424 1.00 0.00 O ATOM 84 CB LEU A 5 -1.793 -1.338 -7.037 1.00 0.00 C ATOM 85 CG LEU A 5 -0.609 -2.212 -6.583 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.760 -2.795 -5.179 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.292 -3.333 -7.568 1.00 0.00 C ATOM 0 H LEU A 5 -4.333 -0.315 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.948 -2.711 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.434 -0.718 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.028 -0.668 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 5 0.229 -1.515 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.117 -3.397 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.853 -1.984 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.652 -3.421 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.551 -3.916 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.162 -3.980 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.037 -2.904 -8.537 1.00 0.00 H new ATOM 99 N ILE A 6 -3.812 -4.038 -6.349 1.00 0.00 N ATOM 100 CA ILE A 6 -4.351 -4.912 -5.290 1.00 0.00 C ATOM 101 C ILE A 6 -3.220 -5.760 -4.694 1.00 0.00 C ATOM 102 O ILE A 6 -2.485 -6.428 -5.424 1.00 0.00 O ATOM 103 CB ILE A 6 -5.478 -5.824 -5.836 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.588 -4.983 -6.506 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.037 -6.719 -4.706 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.708 -5.807 -7.152 1.00 0.00 C ATOM 0 H ILE A 6 -3.409 -4.566 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.780 -4.284 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.062 -6.478 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.026 -4.321 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.135 -4.348 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.828 -7.355 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.237 -7.342 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.440 -6.092 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.443 -5.136 -7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.287 -6.450 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.191 -6.422 -6.393 1.00 0.00 H new ATOM 118 N LEU A 7 -3.105 -5.756 -3.368 1.00 0.00 N ATOM 119 CA LEU A 7 -2.080 -6.457 -2.600 1.00 0.00 C ATOM 120 C LEU A 7 -2.676 -7.654 -1.829 1.00 0.00 C ATOM 121 O LEU A 7 -3.545 -7.504 -0.969 1.00 0.00 O ATOM 122 CB LEU A 7 -1.353 -5.447 -1.692 1.00 0.00 C ATOM 123 CG LEU A 7 -0.212 -6.061 -0.857 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.954 -6.534 -1.727 1.00 0.00 C ATOM 125 CD2 LEU A 7 0.321 -5.034 0.138 1.00 0.00 C ATOM 0 H LEU A 7 -3.754 -5.240 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.341 -6.889 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.947 -4.646 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.079 -4.993 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.632 -6.923 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.732 -6.959 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.602 -7.292 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.360 -5.689 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.127 -5.478 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.700 -4.167 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.483 -4.723 0.805 1.00 0.00 H new ATOM 137 N ASN A 8 -2.158 -8.832 -2.165 1.00 0.00 N ATOM 138 CA ASN A 8 -2.379 -10.089 -1.463 1.00 0.00 C ATOM 139 C ASN A 8 -1.041 -10.661 -0.955 1.00 0.00 C ATOM 140 O ASN A 8 -0.048 -10.724 -1.688 1.00 0.00 O ATOM 141 CB ASN A 8 -3.133 -11.092 -2.349 1.00 0.00 C ATOM 142 CG ASN A 8 -4.297 -10.519 -3.134 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.448 -10.544 -2.713 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.009 -10.037 -4.320 1.00 0.00 N ATOM 0 H ASN A 8 -1.544 -8.939 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.009 -9.897 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.426 -11.534 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.504 -11.900 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.752 -9.671 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.043 -10.028 -4.646 1.00 0.00 H new ATOM 151 N GLY A 9 -1.025 -11.090 0.302 1.00 0.00 N ATOM 152 CA GLY A 9 0.158 -11.634 0.984 1.00 0.00 C ATOM 153 C GLY A 9 -0.066 -11.974 2.463 1.00 0.00 C ATOM 154 O GLY A 9 -1.107 -11.663 3.047 1.00 0.00 O ATOM 0 H GLY A 9 -1.854 -11.071 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.482 -12.534 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.971 -10.911 0.909 1.00 0.00 H new ATOM 158 N LYS A 10 0.917 -12.638 3.068 1.00 0.00 N ATOM 159 CA LYS A 10 0.858 -13.151 4.446 1.00 0.00 C ATOM 160 C LYS A 10 1.090 -12.068 5.526 1.00 0.00 C ATOM 161 O LYS A 10 0.461 -12.104 6.586 1.00 0.00 O ATOM 162 CB LYS A 10 1.906 -14.267 4.603 1.00 0.00 C ATOM 163 CG LYS A 10 1.631 -15.489 3.707 1.00 0.00 C ATOM 164 CD LYS A 10 2.786 -16.498 3.830 1.00 0.00 C ATOM 165 CE LYS A 10 2.615 -17.745 2.951 1.00 0.00 C ATOM 166 NZ LYS A 10 2.606 -17.423 1.509 1.00 0.00 N ATOM 0 H LYS A 10 1.803 -12.842 2.605 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.153 -13.526 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.892 -13.866 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.933 -14.587 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.692 -15.960 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.521 -15.173 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.719 -16.002 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.876 -16.808 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.424 -18.446 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.684 -18.246 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.943 -18.245 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.638 -17.186 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.231 -16.611 1.331 1.00 0.00 H new ATOM 180 N THR A 11 1.972 -11.096 5.267 1.00 0.00 N ATOM 181 CA THR A 11 2.355 -10.026 6.220 1.00 0.00 C ATOM 182 C THR A 11 1.558 -8.723 6.056 1.00 0.00 C ATOM 183 O THR A 11 1.397 -7.953 7.009 1.00 0.00 O ATOM 184 CB THR A 11 3.839 -9.658 6.045 1.00 0.00 C ATOM 185 OG1 THR A 11 4.173 -9.428 4.690 1.00 0.00 O ATOM 186 CG2 THR A 11 4.765 -10.754 6.573 1.00 0.00 C ATOM 0 H THR A 11 2.455 -11.022 4.372 1.00 0.00 H new ATOM 0 HA THR A 11 2.141 -10.443 7.204 1.00 0.00 H new ATOM 0 HB THR A 11 3.980 -8.743 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.123 -9.196 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.803 -10.454 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.576 -10.910 7.635 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.578 -11.681 6.031 1.00 0.00 H new ATOM 194 N LEU A 12 1.040 -8.482 4.851 1.00 0.00 N ATOM 195 CA LEU A 12 0.194 -7.336 4.511 1.00 0.00 C ATOM 196 C LEU A 12 -0.775 -7.660 3.356 1.00 0.00 C ATOM 197 O LEU A 12 -0.446 -8.431 2.451 1.00 0.00 O ATOM 198 CB LEU A 12 1.111 -6.142 4.151 1.00 0.00 C ATOM 199 CG LEU A 12 0.431 -4.761 4.200 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.110 -4.340 5.630 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.344 -3.684 3.625 1.00 0.00 C ATOM 0 H LEU A 12 1.203 -9.101 4.057 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.427 -7.082 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.960 -6.137 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.509 -6.299 3.149 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.485 -4.856 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.369 -3.361 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.563 -5.069 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.032 -4.289 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.841 -2.718 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.266 -3.641 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.579 -3.922 2.587 1.00 0.00 H new ATOM 213 N LYS A 13 -1.944 -7.025 3.365 1.00 0.00 N ATOM 214 CA LYS A 13 -2.922 -7.017 2.267 1.00 0.00 C ATOM 215 C LYS A 13 -3.429 -5.578 2.060 1.00 0.00 C ATOM 216 O LYS A 13 -3.306 -4.758 2.969 1.00 0.00 O ATOM 217 CB LYS A 13 -4.093 -7.968 2.574 1.00 0.00 C ATOM 218 CG LYS A 13 -3.645 -9.435 2.682 1.00 0.00 C ATOM 219 CD LYS A 13 -4.819 -10.424 2.734 1.00 0.00 C ATOM 220 CE LYS A 13 -5.700 -10.217 3.974 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.808 -11.192 4.028 1.00 0.00 N ATOM 0 H LYS A 13 -2.254 -6.478 4.168 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.443 -7.368 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.567 -7.666 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.846 -7.878 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.011 -9.678 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.036 -9.557 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.427 -10.311 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.433 -11.443 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.090 -10.309 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.106 -9.205 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.380 -11.020 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.404 -11.087 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.420 -12.157 4.060 1.00 0.00 H new ATOM 235 N GLY A 14 -3.981 -5.226 0.898 1.00 0.00 N ATOM 236 CA GLY A 14 -4.407 -3.836 0.647 1.00 0.00 C ATOM 237 C GLY A 14 -4.814 -3.482 -0.785 1.00 0.00 C ATOM 238 O GLY A 14 -4.874 -4.341 -1.667 1.00 0.00 O ATOM 0 H GLY A 14 -4.145 -5.868 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.249 -3.616 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.593 -3.174 0.941 1.00 0.00 H new ATOM 242 N GLU A 15 -5.079 -2.190 -1.009 1.00 0.00 N ATOM 243 CA GLU A 15 -5.461 -1.577 -2.299 1.00 0.00 C ATOM 244 C GLU A 15 -4.918 -0.150 -2.426 1.00 0.00 C ATOM 245 O GLU A 15 -5.077 0.660 -1.513 1.00 0.00 O ATOM 246 CB GLU A 15 -6.991 -1.506 -2.456 1.00 0.00 C ATOM 247 CG GLU A 15 -7.661 -2.875 -2.569 1.00 0.00 C ATOM 248 CD GLU A 15 -9.168 -2.711 -2.696 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.655 -2.530 -3.834 1.00 0.00 O ATOM 250 OE2 GLU A 15 -9.863 -2.769 -1.657 1.00 0.00 O ATOM 0 H GLU A 15 -5.032 -1.501 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.032 -2.212 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.411 -0.975 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.230 -0.920 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.271 -3.409 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.426 -3.477 -1.691 1.00 0.00 H new ATOM 257 N THR A 16 -4.302 0.159 -3.566 1.00 0.00 N ATOM 258 CA THR A 16 -3.761 1.501 -3.874 1.00 0.00 C ATOM 259 C THR A 16 -4.076 1.986 -5.298 1.00 0.00 C ATOM 260 O THR A 16 -4.412 1.198 -6.182 1.00 0.00 O ATOM 261 CB THR A 16 -2.245 1.637 -3.594 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.450 1.209 -4.669 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.727 0.885 -2.365 1.00 0.00 C ATOM 0 H THR A 16 -4.158 -0.517 -4.317 1.00 0.00 H new ATOM 0 HA THR A 16 -4.290 2.153 -3.179 1.00 0.00 H new ATOM 0 HB THR A 16 -2.154 2.709 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.503 1.318 -4.440 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.654 1.049 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.236 1.251 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.921 -0.181 -2.482 1.00 0.00 H new ATOM 271 N THR A 17 -3.993 3.297 -5.524 1.00 0.00 N ATOM 272 CA THR A 17 -4.423 3.969 -6.765 1.00 0.00 C ATOM 273 C THR A 17 -3.498 5.151 -7.093 1.00 0.00 C ATOM 274 O THR A 17 -3.057 5.873 -6.191 1.00 0.00 O ATOM 275 CB THR A 17 -5.876 4.497 -6.637 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.707 3.651 -5.865 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.575 4.661 -7.982 1.00 0.00 C ATOM 0 H THR A 17 -3.615 3.945 -4.833 1.00 0.00 H new ATOM 0 HA THR A 17 -4.374 3.231 -7.566 1.00 0.00 H new ATOM 0 HB THR A 17 -5.749 5.464 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.608 4.033 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.587 5.033 -7.823 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.020 5.370 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.618 3.697 -8.489 1.00 0.00 H new ATOM 285 N THR A 18 -3.199 5.379 -8.376 1.00 0.00 N ATOM 286 CA THR A 18 -2.329 6.461 -8.879 1.00 0.00 C ATOM 287 C THR A 18 -2.827 6.956 -10.250 1.00 0.00 C ATOM 288 O THR A 18 -3.595 6.265 -10.923 1.00 0.00 O ATOM 289 CB THR A 18 -0.869 5.955 -9.012 1.00 0.00 C ATOM 290 OG1 THR A 18 0.041 7.000 -9.263 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.660 4.942 -10.146 1.00 0.00 C ATOM 0 H THR A 18 -3.568 4.795 -9.126 1.00 0.00 H new ATOM 0 HA THR A 18 -2.361 7.287 -8.168 1.00 0.00 H new ATOM 0 HB THR A 18 -0.685 5.481 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.122 7.734 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.386 4.637 -10.173 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.288 4.068 -9.974 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.929 5.400 -11.098 1.00 0.00 H new ATOM 299 N GLU A 19 -2.424 8.154 -10.678 1.00 0.00 N ATOM 300 CA GLU A 19 -2.672 8.709 -12.030 1.00 0.00 C ATOM 301 C GLU A 19 -1.357 8.810 -12.798 1.00 0.00 C ATOM 302 O GLU A 19 -0.387 9.381 -12.296 1.00 0.00 O ATOM 303 CB GLU A 19 -3.382 10.069 -11.948 1.00 0.00 C ATOM 304 CG GLU A 19 -3.833 10.583 -13.313 1.00 0.00 C ATOM 305 CD GLU A 19 -4.535 11.924 -13.155 1.00 0.00 C ATOM 306 OE1 GLU A 19 -3.848 12.968 -13.222 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.776 11.930 -12.987 1.00 0.00 O ATOM 0 H GLU A 19 -1.898 8.793 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.335 8.034 -12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.249 9.983 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.711 10.798 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.973 10.689 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.506 9.863 -13.778 1.00 0.00 H new ATOM 314 N ALA A 20 -1.301 8.217 -13.991 1.00 0.00 N ATOM 315 CA ALA A 20 -0.106 8.095 -14.814 1.00 0.00 C ATOM 316 C ALA A 20 -0.403 8.407 -16.291 1.00 0.00 C ATOM 317 O ALA A 20 -1.563 8.436 -16.723 1.00 0.00 O ATOM 318 CB ALA A 20 0.420 6.668 -14.667 1.00 0.00 C ATOM 0 H ALA A 20 -2.121 7.793 -14.424 1.00 0.00 H new ATOM 0 HA ALA A 20 0.640 8.817 -14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.317 6.547 -15.274 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.660 6.475 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.342 5.963 -15.001 1.00 0.00 H new ATOM 324 N VAL A 21 0.664 8.594 -17.071 1.00 0.00 N ATOM 325 CA VAL A 21 0.537 8.757 -18.538 1.00 0.00 C ATOM 326 C VAL A 21 -0.019 7.475 -19.179 1.00 0.00 C ATOM 327 O VAL A 21 -0.957 7.532 -19.980 1.00 0.00 O ATOM 328 CB VAL A 21 1.844 9.227 -19.198 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.025 8.312 -18.874 1.00 0.00 C ATOM 330 CG2 VAL A 21 1.712 9.373 -20.719 1.00 0.00 C ATOM 0 H VAL A 21 1.622 8.638 -16.724 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.182 9.556 -18.718 1.00 0.00 H new ATOM 0 HB VAL A 21 2.043 10.210 -18.772 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.923 8.689 -19.364 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.183 8.290 -17.796 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.813 7.304 -19.231 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.662 9.707 -21.136 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.442 8.411 -21.155 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.938 10.105 -20.948 1.00 0.00 H new ATOM 340 N ASP A 22 0.500 6.315 -18.760 1.00 0.00 N ATOM 341 CA ASP A 22 0.104 4.982 -19.224 1.00 0.00 C ATOM 342 C ASP A 22 0.291 3.926 -18.134 1.00 0.00 C ATOM 343 O ASP A 22 0.970 4.130 -17.126 1.00 0.00 O ATOM 344 CB ASP A 22 0.964 4.614 -20.454 1.00 0.00 C ATOM 345 CG ASP A 22 0.633 3.268 -21.134 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.459 3.145 -21.737 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.459 2.333 -21.022 1.00 0.00 O ATOM 0 H ASP A 22 1.239 6.279 -18.058 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.954 5.004 -19.484 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.861 5.407 -21.195 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.010 4.596 -20.149 1.00 0.00 H new ATOM 352 N ALA A 23 -0.270 2.768 -18.432 1.00 0.00 N ATOM 353 CA ALA A 23 -0.184 1.532 -17.665 1.00 0.00 C ATOM 354 C ALA A 23 1.264 1.138 -17.313 1.00 0.00 C ATOM 355 O ALA A 23 1.488 0.547 -16.266 1.00 0.00 O ATOM 356 CB ALA A 23 -0.881 0.420 -18.456 1.00 0.00 C ATOM 0 H ALA A 23 -0.837 2.656 -19.273 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.684 1.688 -16.709 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.826 -0.514 -17.896 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.926 0.687 -18.615 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.387 0.295 -19.420 1.00 0.00 H new ATOM 362 N ALA A 24 2.258 1.505 -18.126 1.00 0.00 N ATOM 363 CA ALA A 24 3.669 1.250 -17.886 1.00 0.00 C ATOM 364 C ALA A 24 4.270 2.235 -16.867 1.00 0.00 C ATOM 365 O ALA A 24 5.051 1.820 -16.014 1.00 0.00 O ATOM 366 CB ALA A 24 4.420 1.289 -19.223 1.00 0.00 C ATOM 0 H ALA A 24 2.090 2.005 -18.999 1.00 0.00 H new ATOM 0 HA ALA A 24 3.776 0.259 -17.444 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.479 1.099 -19.051 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.018 0.526 -19.889 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.298 2.271 -19.681 1.00 0.00 H new ATOM 372 N THR A 25 3.886 3.521 -16.865 1.00 0.00 N ATOM 373 CA THR A 25 4.256 4.463 -15.787 1.00 0.00 C ATOM 374 C THR A 25 3.536 4.140 -14.473 1.00 0.00 C ATOM 375 O THR A 25 4.174 4.098 -13.424 1.00 0.00 O ATOM 376 CB THR A 25 4.011 5.916 -16.202 1.00 0.00 C ATOM 377 OG1 THR A 25 4.872 6.242 -17.274 1.00 0.00 O ATOM 378 CG2 THR A 25 4.296 6.946 -15.106 1.00 0.00 C ATOM 0 H THR A 25 3.316 3.938 -17.601 1.00 0.00 H new ATOM 0 HA THR A 25 5.325 4.340 -15.613 1.00 0.00 H new ATOM 0 HB THR A 25 2.952 5.967 -16.455 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.087 7.198 -17.242 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.096 7.947 -15.487 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.655 6.750 -14.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.341 6.875 -14.803 1.00 0.00 H new ATOM 386 N ALA A 26 2.241 3.816 -14.500 1.00 0.00 N ATOM 387 CA ALA A 26 1.533 3.342 -13.303 1.00 0.00 C ATOM 388 C ALA A 26 2.108 2.023 -12.745 1.00 0.00 C ATOM 389 O ALA A 26 2.277 1.892 -11.534 1.00 0.00 O ATOM 390 CB ALA A 26 0.051 3.187 -13.623 1.00 0.00 C ATOM 0 H ALA A 26 1.659 3.872 -15.336 1.00 0.00 H new ATOM 0 HA ALA A 26 1.672 4.089 -12.521 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.478 2.835 -12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.357 4.150 -13.931 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.073 2.465 -14.430 1.00 0.00 H new ATOM 396 N GLU A 27 2.515 1.112 -13.640 1.00 0.00 N ATOM 397 CA GLU A 27 3.278 -0.102 -13.274 1.00 0.00 C ATOM 398 C GLU A 27 4.625 0.267 -12.672 1.00 0.00 C ATOM 399 O GLU A 27 5.028 -0.335 -11.684 1.00 0.00 O ATOM 400 CB GLU A 27 3.508 -1.079 -14.443 1.00 0.00 C ATOM 401 CG GLU A 27 3.981 -2.453 -13.958 1.00 0.00 C ATOM 402 CD GLU A 27 4.431 -3.318 -15.127 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.580 -3.723 -15.949 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.644 -3.622 -15.193 1.00 0.00 O ATOM 0 H GLU A 27 2.327 1.191 -14.639 1.00 0.00 H new ATOM 0 HA GLU A 27 2.655 -0.616 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.583 -1.193 -15.008 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.248 -0.661 -15.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.804 -2.331 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.173 -2.951 -13.422 1.00 0.00 H new ATOM 411 N LYS A 28 5.313 1.284 -13.194 1.00 0.00 N ATOM 412 CA LYS A 28 6.586 1.756 -12.623 1.00 0.00 C ATOM 413 C LYS A 28 6.424 2.401 -11.228 1.00 0.00 C ATOM 414 O LYS A 28 7.187 2.072 -10.316 1.00 0.00 O ATOM 415 CB LYS A 28 7.227 2.702 -13.656 1.00 0.00 C ATOM 416 CG LYS A 28 8.546 3.367 -13.237 1.00 0.00 C ATOM 417 CD LYS A 28 9.162 4.189 -14.386 1.00 0.00 C ATOM 418 CE LYS A 28 8.243 5.317 -14.885 1.00 0.00 C ATOM 419 NZ LYS A 28 8.850 6.082 -15.994 1.00 0.00 N ATOM 0 H LYS A 28 5.011 1.803 -14.018 1.00 0.00 H new ATOM 0 HA LYS A 28 7.245 0.908 -12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.403 2.140 -14.573 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.509 3.486 -13.895 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.370 4.016 -12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.253 2.602 -12.917 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.106 4.620 -14.051 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.393 3.523 -15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.295 4.892 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.019 5.993 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.196 6.831 -16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.742 6.510 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.040 5.444 -16.793 1.00 0.00 H new ATOM 433 N VAL A 29 5.438 3.278 -11.002 1.00 0.00 N ATOM 434 CA VAL A 29 5.122 3.814 -9.654 1.00 0.00 C ATOM 435 C VAL A 29 4.740 2.688 -8.688 1.00 0.00 C ATOM 436 O VAL A 29 5.326 2.568 -7.612 1.00 0.00 O ATOM 437 CB VAL A 29 3.984 4.856 -9.733 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.541 5.377 -8.358 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.411 6.079 -10.557 1.00 0.00 C ATOM 0 H VAL A 29 4.834 3.641 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 29 6.019 4.303 -9.273 1.00 0.00 H new ATOM 0 HB VAL A 29 3.153 4.328 -10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.740 6.105 -8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.182 4.545 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.386 5.851 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.591 6.796 -10.596 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.279 6.546 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.666 5.765 -11.569 1.00 0.00 H new ATOM 449 N PHE A 30 3.819 1.810 -9.082 1.00 0.00 N ATOM 450 CA PHE A 30 3.449 0.671 -8.242 1.00 0.00 C ATOM 451 C PHE A 30 4.638 -0.258 -7.924 1.00 0.00 C ATOM 452 O PHE A 30 4.813 -0.655 -6.772 1.00 0.00 O ATOM 453 CB PHE A 30 2.307 -0.128 -8.879 1.00 0.00 C ATOM 454 CG PHE A 30 0.952 0.566 -8.962 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.462 1.325 -7.880 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.153 0.417 -10.115 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.803 1.936 -7.950 1.00 0.00 C ATOM 458 CE2 PHE A 30 -1.117 1.022 -10.183 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.595 1.773 -9.096 1.00 0.00 C ATOM 0 H PHE A 30 3.319 1.864 -9.969 1.00 0.00 H new ATOM 0 HA PHE A 30 3.112 1.089 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.609 -0.408 -9.888 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.182 -1.053 -8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.063 1.438 -6.990 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.517 -0.164 -10.950 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.164 2.529 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.723 0.909 -11.070 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.574 2.226 -9.143 1.00 0.00 H new ATOM 469 N LYS A 31 5.504 -0.548 -8.898 1.00 0.00 N ATOM 470 CA LYS A 31 6.711 -1.352 -8.667 1.00 0.00 C ATOM 471 C LYS A 31 7.769 -0.646 -7.809 1.00 0.00 C ATOM 472 O LYS A 31 8.604 -1.318 -7.204 1.00 0.00 O ATOM 473 CB LYS A 31 7.328 -1.828 -9.988 1.00 0.00 C ATOM 474 CG LYS A 31 6.563 -3.055 -10.494 1.00 0.00 C ATOM 475 CD LYS A 31 7.168 -3.598 -11.786 1.00 0.00 C ATOM 476 CE LYS A 31 6.458 -4.908 -12.145 1.00 0.00 C ATOM 477 NZ LYS A 31 6.915 -5.444 -13.440 1.00 0.00 N ATOM 0 H LYS A 31 5.392 -0.236 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 31 6.376 -2.218 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.288 -1.030 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.379 -2.076 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.575 -3.833 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.519 -2.790 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.054 -2.873 -12.591 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.237 -3.769 -11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.639 -5.645 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.382 -4.739 -12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.599 -6.430 -13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.515 -4.874 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.953 -5.407 -13.484 1.00 0.00 H new ATOM 491 N GLN A 32 7.753 0.683 -7.691 1.00 0.00 N ATOM 492 CA GLN A 32 8.602 1.418 -6.742 1.00 0.00 C ATOM 493 C GLN A 32 8.144 1.266 -5.277 1.00 0.00 C ATOM 494 O GLN A 32 8.962 0.923 -4.420 1.00 0.00 O ATOM 495 CB GLN A 32 8.627 2.895 -7.182 1.00 0.00 C ATOM 496 CG GLN A 32 9.745 3.158 -8.194 1.00 0.00 C ATOM 497 CD GLN A 32 9.607 4.539 -8.791 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.301 5.478 -8.420 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.694 4.700 -9.724 1.00 0.00 N ATOM 0 H GLN A 32 7.150 1.285 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 32 9.607 0.997 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.666 3.161 -7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.766 3.534 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.715 3.062 -7.706 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.711 2.409 -8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.124 3.908 -10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.556 5.617 -10.150 1.00 0.00 H new ATOM 508 N TYR A 33 6.848 1.432 -4.975 1.00 0.00 N ATOM 509 CA TYR A 33 6.289 1.170 -3.626 1.00 0.00 C ATOM 510 C TYR A 33 6.322 -0.330 -3.246 1.00 0.00 C ATOM 511 O TYR A 33 6.540 -0.692 -2.089 1.00 0.00 O ATOM 512 CB TYR A 33 4.836 1.675 -3.546 1.00 0.00 C ATOM 513 CG TYR A 33 4.658 3.179 -3.380 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.861 4.045 -4.472 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.230 3.713 -2.145 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.634 5.427 -4.337 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.015 5.099 -2.009 1.00 0.00 C ATOM 518 CZ TYR A 33 4.211 5.953 -3.108 1.00 0.00 C ATOM 519 OH TYR A 33 3.981 7.289 -2.998 1.00 0.00 O ATOM 0 H TYR A 33 6.154 1.750 -5.651 1.00 0.00 H new ATOM 0 HA TYR A 33 6.920 1.708 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.315 1.366 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.345 1.177 -2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.193 3.646 -5.419 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.067 3.057 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.786 6.083 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.699 5.505 -1.059 1.00 0.00 H new ATOM 0 HH TYR A 33 3.284 7.447 -2.328 1.00 0.00 H new ATOM 529 N PHE A 34 6.139 -1.183 -4.256 1.00 0.00 N ATOM 530 CA PHE A 34 5.944 -2.639 -4.128 1.00 0.00 C ATOM 531 C PHE A 34 7.089 -3.488 -4.721 1.00 0.00 C ATOM 532 O PHE A 34 6.875 -4.595 -5.218 1.00 0.00 O ATOM 533 CB PHE A 34 4.524 -3.042 -4.559 1.00 0.00 C ATOM 534 CG PHE A 34 3.446 -2.360 -3.732 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.323 -2.671 -2.363 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.601 -1.387 -4.301 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.375 -2.008 -1.566 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.649 -0.726 -3.503 1.00 0.00 C ATOM 539 CZ PHE A 34 1.537 -1.036 -2.136 1.00 0.00 C ATOM 0 H PHE A 34 6.121 -0.871 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 34 6.014 -2.886 -3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.383 -2.792 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.415 -4.123 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.961 -3.423 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.684 -1.148 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.291 -2.246 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.003 0.021 -3.941 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.807 -0.527 -1.525 1.00 0.00 H new ATOM 549 N ASN A 35 8.321 -2.971 -4.651 1.00 0.00 N ATOM 550 CA ASN A 35 9.525 -3.603 -5.206 1.00 0.00 C ATOM 551 C ASN A 35 9.787 -5.038 -4.681 1.00 0.00 C ATOM 552 O ASN A 35 10.086 -5.936 -5.474 1.00 0.00 O ATOM 553 CB ASN A 35 10.714 -2.655 -4.970 1.00 0.00 C ATOM 554 CG ASN A 35 11.756 -2.797 -6.064 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.805 -3.405 -5.888 1.00 0.00 O ATOM 556 ND2 ASN A 35 11.484 -2.232 -7.223 1.00 0.00 N ATOM 0 H ASN A 35 8.514 -2.079 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 35 9.375 -3.751 -6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.359 -1.625 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.167 -2.870 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.152 -2.297 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.606 -1.730 -7.352 1.00 0.00 H new ATOM 563 N ASP A 36 9.641 -5.258 -3.363 1.00 0.00 N ATOM 564 CA ASP A 36 9.633 -6.588 -2.714 1.00 0.00 C ATOM 565 C ASP A 36 8.886 -6.573 -1.366 1.00 0.00 C ATOM 566 O ASP A 36 7.884 -7.269 -1.234 1.00 0.00 O ATOM 567 CB ASP A 36 11.049 -7.221 -2.624 1.00 0.00 C ATOM 568 CG ASP A 36 12.053 -6.567 -1.654 1.00 0.00 C ATOM 569 OD1 ASP A 36 11.933 -6.817 -0.431 1.00 0.00 O ATOM 570 OD2 ASP A 36 12.952 -5.820 -2.107 1.00 0.00 O ATOM 0 H ASP A 36 9.521 -4.495 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 36 9.063 -7.249 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.934 -8.266 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.488 -7.211 -3.622 1.00 0.00 H new ATOM 575 N ASN A 37 9.351 -5.781 -0.394 1.00 0.00 N ATOM 576 CA ASN A 37 8.808 -5.690 0.980 1.00 0.00 C ATOM 577 C ASN A 37 8.614 -7.067 1.679 1.00 0.00 C ATOM 578 O ASN A 37 7.703 -7.267 2.487 1.00 0.00 O ATOM 579 CB ASN A 37 7.535 -4.828 0.991 1.00 0.00 C ATOM 580 CG ASN A 37 7.737 -3.455 0.382 1.00 0.00 C ATOM 581 OD1 ASN A 37 8.494 -2.630 0.879 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.059 -3.182 -0.711 1.00 0.00 N ATOM 0 H ASN A 37 10.146 -5.159 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 37 9.563 -5.193 1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.748 -5.348 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.190 -4.715 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.159 -2.271 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.433 -3.881 -1.111 1.00 0.00 H new ATOM 589 N GLY A 38 9.460 -8.036 1.321 1.00 0.00 N ATOM 590 CA GLY A 38 9.398 -9.436 1.769 1.00 0.00 C ATOM 591 C GLY A 38 8.106 -10.188 1.395 1.00 0.00 C ATOM 592 O GLY A 38 7.775 -11.187 2.039 1.00 0.00 O ATOM 0 H GLY A 38 10.239 -7.863 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.247 -9.974 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.512 -9.459 2.853 1.00 0.00 H new ATOM 596 N VAL A 39 7.379 -9.720 0.373 1.00 0.00 N ATOM 597 CA VAL A 39 6.165 -10.344 -0.185 1.00 0.00 C ATOM 598 C VAL A 39 6.354 -10.715 -1.668 1.00 0.00 C ATOM 599 O VAL A 39 5.917 -11.791 -2.078 1.00 0.00 O ATOM 600 CB VAL A 39 4.922 -9.465 0.088 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.926 -8.083 -0.572 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.617 -10.158 -0.303 1.00 0.00 C ATOM 0 H VAL A 39 7.629 -8.858 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 39 5.986 -11.289 0.328 1.00 0.00 H new ATOM 0 HB VAL A 39 4.981 -9.316 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.009 -7.554 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.785 -7.513 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.987 -8.197 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.776 -9.497 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.634 -10.393 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.508 -11.079 0.270 1.00 0.00 H new ATOM 612 N ASP A 40 7.086 -9.888 -2.440 1.00 0.00 N ATOM 613 CA ASP A 40 7.582 -10.122 -3.818 1.00 0.00 C ATOM 614 C ASP A 40 6.681 -10.967 -4.748 1.00 0.00 C ATOM 615 O ASP A 40 7.140 -11.876 -5.445 1.00 0.00 O ATOM 616 CB ASP A 40 9.047 -10.621 -3.761 1.00 0.00 C ATOM 617 CG ASP A 40 9.276 -11.990 -3.072 1.00 0.00 C ATOM 618 OD1 ASP A 40 9.316 -12.039 -1.818 1.00 0.00 O ATOM 619 OD2 ASP A 40 9.508 -13.002 -3.777 1.00 0.00 O ATOM 0 H ASP A 40 7.369 -8.971 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 40 7.543 -9.153 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.428 -10.682 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.644 -9.872 -3.242 1.00 0.00 H new ATOM 624 N GLY A 41 5.378 -10.679 -4.738 1.00 0.00 N ATOM 625 CA GLY A 41 4.356 -11.506 -5.387 1.00 0.00 C ATOM 626 C GLY A 41 4.393 -11.531 -6.924 1.00 0.00 C ATOM 627 O GLY A 41 5.026 -10.698 -7.578 1.00 0.00 O ATOM 0 H GLY A 41 4.997 -9.855 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.458 -12.528 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.375 -11.152 -5.072 1.00 0.00 H new ATOM 631 N GLU A 42 3.661 -12.485 -7.507 1.00 0.00 N ATOM 632 CA GLU A 42 3.364 -12.594 -8.947 1.00 0.00 C ATOM 633 C GLU A 42 2.484 -11.431 -9.409 1.00 0.00 C ATOM 634 O GLU A 42 1.341 -11.299 -8.968 1.00 0.00 O ATOM 635 CB GLU A 42 2.671 -13.935 -9.243 1.00 0.00 C ATOM 636 CG GLU A 42 2.399 -14.149 -10.732 1.00 0.00 C ATOM 637 CD GLU A 42 1.846 -15.549 -10.963 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.616 -15.735 -10.835 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.645 -16.458 -11.283 1.00 0.00 O ATOM 0 H GLU A 42 3.238 -13.240 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 42 4.304 -12.551 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.293 -14.749 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.729 -13.980 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.689 -13.404 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.318 -14.013 -11.302 1.00 0.00 H new ATOM 646 N TRP A 43 3.008 -10.602 -10.310 1.00 0.00 N ATOM 647 CA TRP A 43 2.276 -9.461 -10.871 1.00 0.00 C ATOM 648 C TRP A 43 1.314 -9.914 -11.987 1.00 0.00 C ATOM 649 O TRP A 43 1.631 -10.782 -12.807 1.00 0.00 O ATOM 650 CB TRP A 43 3.266 -8.409 -11.392 1.00 0.00 C ATOM 651 CG TRP A 43 3.975 -7.628 -10.324 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.973 -8.093 -9.539 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.725 -6.259 -9.872 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.339 -7.129 -8.623 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.588 -5.985 -8.768 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.848 -5.224 -10.271 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.561 -4.767 -8.075 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.821 -3.992 -9.590 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.667 -3.768 -8.487 1.00 0.00 C ATOM 0 H TRP A 43 3.955 -10.701 -10.675 1.00 0.00 H new ATOM 0 HA TRP A 43 1.673 -9.013 -10.081 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.011 -8.907 -12.013 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.729 -7.712 -12.036 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.418 -9.074 -9.618 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.074 -7.249 -7.926 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.188 -5.381 -11.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.219 -4.600 -7.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.147 -3.214 -9.916 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.627 -2.827 -7.958 1.00 0.00 H new ATOM 670 N THR A 44 0.122 -9.322 -11.996 1.00 0.00 N ATOM 671 CA THR A 44 -0.973 -9.560 -12.957 1.00 0.00 C ATOM 672 C THR A 44 -1.622 -8.218 -13.332 1.00 0.00 C ATOM 673 O THR A 44 -1.604 -7.291 -12.516 1.00 0.00 O ATOM 674 CB THR A 44 -2.039 -10.489 -12.333 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.458 -11.611 -11.697 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.055 -11.033 -13.339 1.00 0.00 C ATOM 0 H THR A 44 -0.128 -8.623 -11.297 1.00 0.00 H new ATOM 0 HA THR A 44 -0.566 -10.036 -13.849 1.00 0.00 H new ATOM 0 HB THR A 44 -2.550 -9.847 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.164 -12.172 -11.314 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.769 -11.676 -12.824 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.585 -10.203 -13.806 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.536 -11.609 -14.105 1.00 0.00 H new ATOM 684 N TYR A 45 -2.212 -8.083 -14.526 1.00 0.00 N ATOM 685 CA TYR A 45 -2.894 -6.855 -14.973 1.00 0.00 C ATOM 686 C TYR A 45 -4.134 -7.126 -15.846 1.00 0.00 C ATOM 687 O TYR A 45 -4.097 -7.961 -16.756 1.00 0.00 O ATOM 688 CB TYR A 45 -1.896 -5.993 -15.760 1.00 0.00 C ATOM 689 CG TYR A 45 -2.466 -4.685 -16.286 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.891 -3.694 -15.382 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.573 -4.450 -17.671 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.404 -2.472 -15.849 1.00 0.00 C ATOM 693 CE2 TYR A 45 -3.079 -3.222 -18.138 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.490 -2.235 -17.229 1.00 0.00 C ATOM 695 OH TYR A 45 -3.965 -1.045 -17.685 1.00 0.00 O ATOM 0 H TYR A 45 -2.231 -8.831 -15.220 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.248 -6.340 -14.080 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.043 -5.771 -15.118 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.519 -6.574 -16.601 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.822 -3.874 -14.319 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.267 -5.211 -18.374 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.731 -1.718 -15.148 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.151 -3.039 -19.200 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.958 -1.044 -18.665 1.00 0.00 H new ATOM 705 N ASP A 46 -5.216 -6.382 -15.589 1.00 0.00 N ATOM 706 CA ASP A 46 -6.460 -6.326 -16.371 1.00 0.00 C ATOM 707 C ASP A 46 -6.695 -4.912 -16.926 1.00 0.00 C ATOM 708 O ASP A 46 -7.152 -4.017 -16.204 1.00 0.00 O ATOM 709 CB ASP A 46 -7.646 -6.796 -15.506 1.00 0.00 C ATOM 710 CG ASP A 46 -7.601 -8.299 -15.159 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.994 -9.126 -16.018 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.204 -8.653 -14.022 1.00 0.00 O ATOM 0 H ASP A 46 -5.250 -5.763 -14.779 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.371 -6.998 -17.224 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.662 -6.219 -14.582 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.576 -6.581 -16.032 1.00 0.00 H new ATOM 717 N ASP A 47 -6.393 -4.701 -18.212 1.00 0.00 N ATOM 718 CA ASP A 47 -6.555 -3.419 -18.926 1.00 0.00 C ATOM 719 C ASP A 47 -7.984 -2.867 -18.888 1.00 0.00 C ATOM 720 O ASP A 47 -8.183 -1.676 -18.658 1.00 0.00 O ATOM 721 CB ASP A 47 -6.102 -3.619 -20.386 1.00 0.00 C ATOM 722 CG ASP A 47 -6.252 -2.359 -21.267 1.00 0.00 C ATOM 723 OD1 ASP A 47 -7.329 -2.188 -21.890 1.00 0.00 O ATOM 724 OD2 ASP A 47 -5.287 -1.564 -21.361 1.00 0.00 O ATOM 0 H ASP A 47 -6.017 -5.438 -18.808 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.940 -2.677 -18.416 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.058 -3.932 -20.392 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.681 -4.430 -20.828 1.00 0.00 H new ATOM 729 N ALA A 48 -8.974 -3.746 -19.047 1.00 0.00 N ATOM 730 CA ALA A 48 -10.405 -3.411 -19.120 1.00 0.00 C ATOM 731 C ALA A 48 -10.960 -2.657 -17.888 1.00 0.00 C ATOM 732 O ALA A 48 -12.003 -2.000 -17.967 1.00 0.00 O ATOM 733 CB ALA A 48 -11.186 -4.708 -19.362 1.00 0.00 C ATOM 0 H ALA A 48 -8.800 -4.747 -19.132 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.530 -2.709 -19.944 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.252 -4.486 -19.420 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.858 -5.161 -20.298 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.004 -5.401 -18.540 1.00 0.00 H new ATOM 739 N THR A 49 -10.250 -2.729 -16.760 1.00 0.00 N ATOM 740 CA THR A 49 -10.563 -2.071 -15.479 1.00 0.00 C ATOM 741 C THR A 49 -9.367 -1.271 -14.913 1.00 0.00 C ATOM 742 O THR A 49 -9.362 -0.918 -13.731 1.00 0.00 O ATOM 743 CB THR A 49 -11.142 -3.099 -14.482 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.603 -2.503 -13.286 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.167 -4.228 -14.139 1.00 0.00 C ATOM 0 H THR A 49 -9.392 -3.278 -16.708 1.00 0.00 H new ATOM 0 HA THR A 49 -11.334 -1.321 -15.658 1.00 0.00 H new ATOM 0 HB THR A 49 -11.992 -3.532 -15.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.012 -1.760 -13.042 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.638 -4.914 -13.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.901 -4.768 -15.048 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.267 -3.808 -13.690 1.00 0.00 H new ATOM 753 N LYS A 50 -8.317 -1.035 -15.714 1.00 0.00 N ATOM 754 CA LYS A 50 -7.076 -0.322 -15.348 1.00 0.00 C ATOM 755 C LYS A 50 -6.474 -0.778 -13.995 1.00 0.00 C ATOM 756 O LYS A 50 -6.030 0.035 -13.183 1.00 0.00 O ATOM 757 CB LYS A 50 -7.282 1.210 -15.414 1.00 0.00 C ATOM 758 CG LYS A 50 -7.544 1.826 -16.800 1.00 0.00 C ATOM 759 CD LYS A 50 -8.935 1.518 -17.369 1.00 0.00 C ATOM 760 CE LYS A 50 -9.279 2.479 -18.514 1.00 0.00 C ATOM 761 NZ LYS A 50 -10.570 2.136 -19.146 1.00 0.00 N ATOM 0 H LYS A 50 -8.306 -1.351 -16.684 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.329 -0.595 -16.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.121 1.466 -14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.397 1.688 -14.994 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.421 2.907 -16.734 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.789 1.461 -17.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.966 0.490 -17.729 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.683 1.602 -16.580 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.320 3.499 -18.133 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.488 2.450 -19.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.769 2.807 -19.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.522 1.171 -19.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.329 2.188 -18.436 1.00 0.00 H new ATOM 775 N THR A 51 -6.491 -2.087 -13.734 1.00 0.00 N ATOM 776 CA THR A 51 -6.123 -2.651 -12.413 1.00 0.00 C ATOM 777 C THR A 51 -5.026 -3.722 -12.484 1.00 0.00 C ATOM 778 O THR A 51 -5.068 -4.643 -13.299 1.00 0.00 O ATOM 779 CB THR A 51 -7.353 -3.193 -11.660 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.335 -2.190 -11.495 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.037 -3.692 -10.247 1.00 0.00 C ATOM 0 H THR A 51 -6.757 -2.791 -14.422 1.00 0.00 H new ATOM 0 HA THR A 51 -5.708 -1.814 -11.852 1.00 0.00 H new ATOM 0 HB THR A 51 -7.701 -4.020 -12.279 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.617 -1.860 -12.374 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.950 -4.059 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.307 -4.500 -10.301 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.628 -2.873 -9.655 1.00 0.00 H new ATOM 789 N PHE A 52 -4.062 -3.600 -11.573 1.00 0.00 N ATOM 790 CA PHE A 52 -2.945 -4.496 -11.278 1.00 0.00 C ATOM 791 C PHE A 52 -3.249 -5.326 -10.018 1.00 0.00 C ATOM 792 O PHE A 52 -3.895 -4.841 -9.088 1.00 0.00 O ATOM 793 CB PHE A 52 -1.653 -3.691 -11.059 1.00 0.00 C ATOM 794 CG PHE A 52 -1.074 -3.080 -12.317 1.00 0.00 C ATOM 795 CD1 PHE A 52 -0.194 -3.836 -13.116 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.427 -1.773 -12.709 1.00 0.00 C ATOM 797 CE1 PHE A 52 0.306 -3.298 -14.313 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.919 -1.232 -13.903 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.067 -2.003 -14.711 1.00 0.00 C ATOM 0 H PHE A 52 -4.042 -2.786 -10.959 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.809 -5.164 -12.128 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.853 -2.895 -10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.905 -4.344 -10.610 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.096 -4.830 -12.808 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.089 -1.186 -12.091 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.977 -3.880 -14.928 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.183 -0.227 -14.198 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.303 -1.599 -15.642 1.00 0.00 H new ATOM 809 N THR A 53 -2.777 -6.567 -9.983 1.00 0.00 N ATOM 810 CA THR A 53 -2.879 -7.452 -8.808 1.00 0.00 C ATOM 811 C THR A 53 -1.504 -8.043 -8.463 1.00 0.00 C ATOM 812 O THR A 53 -0.690 -8.298 -9.354 1.00 0.00 O ATOM 813 CB THR A 53 -3.923 -8.566 -9.042 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.168 -8.024 -9.431 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.194 -9.427 -7.805 1.00 0.00 C ATOM 0 H THR A 53 -2.305 -7.001 -10.776 1.00 0.00 H new ATOM 0 HA THR A 53 -3.218 -6.858 -7.959 1.00 0.00 H new ATOM 0 HB THR A 53 -3.486 -9.187 -9.824 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.810 -8.750 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.937 -10.187 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.270 -9.911 -7.489 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.568 -8.797 -6.998 1.00 0.00 H new ATOM 823 N VAL A 54 -1.248 -8.252 -7.168 1.00 0.00 N ATOM 824 CA VAL A 54 -0.026 -8.870 -6.612 1.00 0.00 C ATOM 825 C VAL A 54 -0.409 -9.931 -5.570 1.00 0.00 C ATOM 826 O VAL A 54 -1.171 -9.649 -4.648 1.00 0.00 O ATOM 827 CB VAL A 54 0.935 -7.820 -6.016 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.239 -8.473 -5.536 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.326 -6.766 -7.060 1.00 0.00 C ATOM 0 H VAL A 54 -1.912 -7.986 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 54 0.511 -9.353 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 54 0.404 -7.358 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.897 -7.709 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.014 -9.214 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.733 -8.960 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.003 -6.041 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.822 -7.252 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.431 -6.255 -7.414 1.00 0.00 H new ATOM 839 N THR A 55 0.083 -11.151 -5.780 1.00 0.00 N ATOM 840 CA THR A 55 -0.211 -12.354 -4.965 1.00 0.00 C ATOM 841 C THR A 55 1.042 -13.183 -4.626 1.00 0.00 C ATOM 842 O THR A 55 1.899 -13.338 -5.499 1.00 0.00 O ATOM 843 CB THR A 55 -1.312 -13.202 -5.638 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.475 -12.430 -5.853 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.756 -14.414 -4.819 1.00 0.00 C ATOM 0 H THR A 55 0.723 -11.348 -6.549 1.00 0.00 H new ATOM 0 HA THR A 55 -0.587 -12.007 -4.002 1.00 0.00 H new ATOM 0 HB THR A 55 -0.857 -13.546 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.161 -12.984 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.531 -14.956 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.903 -15.072 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.151 -14.080 -3.860 1.00 0.00 H new ATOM 853 N GLU A 56 1.184 -13.727 -3.400 1.00 0.00 N ATOM 854 CA GLU A 56 2.253 -14.709 -3.086 1.00 0.00 C ATOM 855 C GLU A 56 1.969 -16.072 -3.726 1.00 0.00 C ATOM 856 O GLU A 56 2.838 -16.563 -4.477 1.00 0.00 O ATOM 857 CB GLU A 56 2.436 -14.911 -1.576 1.00 0.00 C ATOM 858 CG GLU A 56 3.276 -13.808 -0.934 1.00 0.00 C ATOM 859 CD GLU A 56 3.538 -14.132 0.527 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.182 -15.170 0.803 1.00 0.00 O ATOM 861 OE2 GLU A 56 3.068 -13.368 1.394 1.00 0.00 O ATOM 862 OXT GLU A 56 0.892 -16.647 -3.456 1.00 0.00 O ATOM 0 H GLU A 56 0.576 -13.507 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 56 3.170 -14.289 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.458 -14.944 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.911 -15.875 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.221 -13.704 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.758 -12.852 -1.015 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.294 -9.159 16.813 1.00 0.00 N ATOM 871 CA MET B 1 -5.342 -8.151 16.510 1.00 0.00 C ATOM 872 C MET B 1 -5.139 -7.587 15.105 1.00 0.00 C ATOM 873 O MET B 1 -4.003 -7.379 14.683 1.00 0.00 O ATOM 874 CB MET B 1 -5.357 -7.048 17.587 1.00 0.00 C ATOM 875 CG MET B 1 -6.397 -5.949 17.343 1.00 0.00 C ATOM 876 SD MET B 1 -6.522 -4.735 18.686 1.00 0.00 S ATOM 877 CE MET B 1 -7.422 -5.692 19.938 1.00 0.00 C ATOM 0 H1 MET B 1 -4.380 -9.461 17.804 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.413 -9.982 16.188 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.355 -8.740 16.659 1.00 0.00 H new ATOM 0 HA MET B 1 -6.321 -8.630 16.530 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.549 -7.506 18.558 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.368 -6.592 17.639 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.149 -5.428 16.419 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.372 -6.413 17.195 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.637 -5.056 20.797 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.357 -6.058 19.514 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.813 -6.538 20.257 1.00 0.00 H new ATOM 889 N GLN B 2 -6.230 -7.359 14.365 1.00 0.00 N ATOM 890 CA GLN B 2 -6.197 -6.699 13.047 1.00 0.00 C ATOM 891 C GLN B 2 -5.962 -5.180 13.191 1.00 0.00 C ATOM 892 O GLN B 2 -6.683 -4.506 13.931 1.00 0.00 O ATOM 893 CB GLN B 2 -7.517 -6.949 12.288 1.00 0.00 C ATOM 894 CG GLN B 2 -7.425 -6.623 10.786 1.00 0.00 C ATOM 895 CD GLN B 2 -7.156 -7.855 9.950 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.068 -8.557 9.531 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.908 -8.148 9.672 1.00 0.00 N ATOM 0 H GLN B 2 -7.168 -7.627 14.662 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.369 -7.126 12.482 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.806 -7.993 12.409 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.306 -6.345 12.736 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.356 -6.160 10.459 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.631 -5.894 10.622 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.155 -7.558 10.025 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.691 -8.966 9.103 1.00 0.00 H new ATOM 906 N TYR B 3 -4.983 -4.645 12.464 1.00 0.00 N ATOM 907 CA TYR B 3 -4.695 -3.205 12.337 1.00 0.00 C ATOM 908 C TYR B 3 -4.684 -2.752 10.865 1.00 0.00 C ATOM 909 O TYR B 3 -4.453 -3.570 9.969 1.00 0.00 O ATOM 910 CB TYR B 3 -3.355 -2.893 13.011 1.00 0.00 C ATOM 911 CG TYR B 3 -3.309 -3.181 14.503 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.759 -2.217 15.424 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.804 -4.410 14.973 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.713 -2.485 16.805 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.742 -4.669 16.353 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.208 -3.711 17.268 1.00 0.00 C ATOM 917 OH TYR B 3 -3.161 -3.972 18.603 1.00 0.00 O ATOM 0 H TYR B 3 -4.338 -5.221 11.922 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.490 -2.650 12.835 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.574 -3.472 12.519 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.120 -1.841 12.851 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.140 -1.270 15.071 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.463 -5.156 14.270 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.067 -1.747 17.510 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.336 -5.604 16.710 1.00 0.00 H new ATOM 0 HH TYR B 3 -4.048 -4.248 18.914 1.00 0.00 H new ATOM 927 N LYS B 4 -4.874 -1.456 10.599 1.00 0.00 N ATOM 928 CA LYS B 4 -4.978 -0.883 9.245 1.00 0.00 C ATOM 929 C LYS B 4 -4.154 0.421 9.080 1.00 0.00 C ATOM 930 O LYS B 4 -3.914 1.132 10.055 1.00 0.00 O ATOM 931 CB LYS B 4 -6.473 -0.665 8.935 1.00 0.00 C ATOM 932 CG LYS B 4 -6.773 -0.504 7.433 1.00 0.00 C ATOM 933 CD LYS B 4 -8.254 -0.287 7.105 1.00 0.00 C ATOM 934 CE LYS B 4 -8.792 0.991 7.757 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.046 1.443 7.123 1.00 0.00 N ATOM 0 H LYS B 4 -4.963 -0.755 11.335 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.546 -1.580 8.527 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.043 -1.509 9.323 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.820 0.223 9.464 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.200 0.340 7.049 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.423 -1.392 6.907 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -8.384 -0.228 6.024 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.833 -1.144 7.449 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.965 0.813 8.818 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.043 1.779 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.441 2.238 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.851 1.750 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.730 0.660 7.109 1.00 0.00 H new ATOM 949 N LEU B 5 -3.754 0.754 7.849 1.00 0.00 N ATOM 950 CA LEU B 5 -2.940 1.912 7.454 1.00 0.00 C ATOM 951 C LEU B 5 -3.571 2.629 6.245 1.00 0.00 C ATOM 952 O LEU B 5 -3.575 2.083 5.141 1.00 0.00 O ATOM 953 CB LEU B 5 -1.525 1.394 7.117 1.00 0.00 C ATOM 954 CG LEU B 5 -0.370 2.400 6.964 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.513 3.363 5.788 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.143 3.216 8.230 1.00 0.00 C ATOM 0 H LEU B 5 -4.008 0.182 7.044 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.888 2.639 8.265 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.241 0.686 7.896 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.595 0.832 6.186 1.00 0.00 H new ATOM 0 HG LEU B 5 0.492 1.764 6.765 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.346 4.033 5.760 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.562 2.797 4.858 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.425 3.948 5.905 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.682 3.911 8.072 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.048 3.775 8.470 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.100 2.547 9.056 1.00 0.00 H new ATOM 968 N ILE B 6 -4.090 3.842 6.439 1.00 0.00 N ATOM 969 CA ILE B 6 -4.578 4.739 5.374 1.00 0.00 C ATOM 970 C ILE B 6 -3.416 5.604 4.863 1.00 0.00 C ATOM 971 O ILE B 6 -2.748 6.270 5.660 1.00 0.00 O ATOM 972 CB ILE B 6 -5.708 5.658 5.905 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.838 4.838 6.570 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.252 6.554 4.771 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.979 5.675 7.160 1.00 0.00 C ATOM 0 H ILE B 6 -4.188 4.247 7.370 1.00 0.00 H new ATOM 0 HA ILE B 6 -4.976 4.131 4.562 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.286 6.304 6.675 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.254 4.153 5.831 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.406 4.228 7.363 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.045 7.193 5.161 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.446 7.174 4.379 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.650 5.928 3.972 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.723 5.014 7.604 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.583 6.342 7.926 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.443 6.265 6.370 1.00 0.00 H new ATOM 987 N LEU B 7 -3.178 5.654 3.551 1.00 0.00 N ATOM 988 CA LEU B 7 -2.101 6.390 2.892 1.00 0.00 C ATOM 989 C LEU B 7 -2.667 7.580 2.088 1.00 0.00 C ATOM 990 O LEU B 7 -3.468 7.391 1.168 1.00 0.00 O ATOM 991 CB LEU B 7 -1.352 5.407 1.974 1.00 0.00 C ATOM 992 CG LEU B 7 -0.184 6.052 1.206 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.949 6.515 2.123 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.378 5.054 0.203 1.00 0.00 C ATOM 0 H LEU B 7 -3.765 5.154 2.884 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.415 6.802 3.632 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.970 4.581 2.574 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.056 4.982 1.259 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.585 6.933 0.704 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.743 6.961 1.524 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.568 7.254 2.828 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.345 5.661 2.672 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.205 5.511 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.735 4.170 0.731 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.403 4.766 -0.500 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.243 8.792 2.442 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.571 10.024 1.726 1.00 0.00 C ATOM 1008 C ASN B 8 -1.289 10.669 1.157 1.00 0.00 C ATOM 1009 O ASN B 8 -0.271 10.795 1.843 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.310 11.011 2.644 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.418 10.403 3.482 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.591 10.417 3.126 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.059 9.898 4.639 1.00 0.00 N ATOM 0 H ASN B 8 -1.647 8.948 3.255 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.233 9.773 0.897 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.584 11.476 3.311 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.734 11.806 2.031 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.763 9.505 5.265 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.076 9.898 4.913 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.359 11.098 -0.099 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.256 11.723 -0.844 1.00 0.00 C ATOM 1022 C GLY B 9 -0.670 12.338 -2.188 1.00 0.00 C ATOM 1023 O GLY B 9 -1.848 12.338 -2.553 1.00 0.00 O ATOM 0 H GLY B 9 -2.213 11.020 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY B 9 0.191 12.500 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.516 10.975 -1.023 1.00 0.00 H new ATOM 1027 N LYS B 10 0.307 12.867 -2.926 1.00 0.00 N ATOM 1028 CA LYS B 10 0.126 13.661 -4.156 1.00 0.00 C ATOM 1029 C LYS B 10 0.522 12.907 -5.447 1.00 0.00 C ATOM 1030 O LYS B 10 0.467 13.465 -6.546 1.00 0.00 O ATOM 1031 CB LYS B 10 0.916 14.980 -4.022 1.00 0.00 C ATOM 1032 CG LYS B 10 0.524 15.860 -2.821 1.00 0.00 C ATOM 1033 CD LYS B 10 -0.950 16.296 -2.846 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.236 17.273 -1.701 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.645 17.717 -1.700 1.00 0.00 N ATOM 0 H LYS B 10 1.290 12.753 -2.678 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.940 13.866 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.977 14.743 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.782 15.559 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.719 15.313 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.158 16.746 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.180 16.768 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.596 15.423 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.004 16.796 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.581 18.140 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.800 18.377 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.859 18.195 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.269 16.892 -1.589 1.00 0.00 H new ATOM 1049 N THR B 11 0.882 11.628 -5.318 1.00 0.00 N ATOM 1050 CA THR B 11 1.329 10.742 -6.413 1.00 0.00 C ATOM 1051 C THR B 11 0.619 9.380 -6.360 1.00 0.00 C ATOM 1052 O THR B 11 0.137 8.882 -7.379 1.00 0.00 O ATOM 1053 CB THR B 11 2.857 10.535 -6.335 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.542 11.771 -6.356 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.422 9.691 -7.476 1.00 0.00 C ATOM 0 H THR B 11 0.872 11.155 -4.414 1.00 0.00 H new ATOM 0 HA THR B 11 1.072 11.223 -7.357 1.00 0.00 H new ATOM 0 HB THR B 11 3.013 10.007 -5.394 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.507 11.611 -6.304 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.500 9.589 -7.354 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.960 8.704 -7.462 1.00 0.00 H new ATOM 0 HG23 THR B 11 3.209 10.177 -8.428 1.00 0.00 H new ATOM 1063 N LEU B 12 0.478 8.799 -5.164 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.242 7.547 -4.911 1.00 0.00 C ATOM 1065 C LEU B 12 -1.006 7.620 -3.571 1.00 0.00 C ATOM 1066 O LEU B 12 -0.545 8.240 -2.609 1.00 0.00 O ATOM 1067 CB LEU B 12 0.793 6.405 -4.994 1.00 0.00 C ATOM 1068 CG LEU B 12 0.262 4.981 -4.729 1.00 0.00 C ATOM 1069 CD1 LEU B 12 1.084 3.960 -5.510 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.369 4.597 -3.255 1.00 0.00 C ATOM 0 H LEU B 12 0.876 9.202 -4.316 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.016 7.360 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.244 6.423 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.589 6.612 -4.279 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.783 4.978 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.700 2.958 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.013 4.175 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.127 4.016 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.016 3.587 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.413 4.634 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.214 5.295 -2.654 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.174 6.979 -3.522 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.050 6.893 -2.340 1.00 0.00 C ATOM 1084 C LYS B 13 -3.610 5.472 -2.161 1.00 0.00 C ATOM 1085 O LYS B 13 -3.684 4.712 -3.128 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.209 7.900 -2.469 1.00 0.00 C ATOM 1087 CG LYS B 13 -3.733 9.361 -2.466 1.00 0.00 C ATOM 1088 CD LYS B 13 -4.887 10.370 -2.374 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.805 10.313 -3.602 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.887 11.316 -3.526 1.00 0.00 N ATOM 0 H LYS B 13 -2.555 6.486 -4.330 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.453 7.135 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.755 7.703 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -4.908 7.749 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.056 9.515 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.162 9.553 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.471 10.170 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.481 11.376 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.216 10.481 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.239 9.316 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -7.486 11.246 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -7.464 11.140 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.474 12.269 -3.472 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.017 5.091 -0.948 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.517 3.734 -0.685 1.00 0.00 C ATOM 1106 C GLY B 14 -4.803 3.392 0.780 1.00 0.00 C ATOM 1107 O GLY B 14 -4.785 4.256 1.658 1.00 0.00 O ATOM 0 H GLY B 14 -4.011 5.701 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.434 3.590 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.788 3.020 -1.068 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.048 2.104 1.030 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.279 1.483 2.352 1.00 0.00 C ATOM 1113 C GLU B 15 -4.690 0.073 2.409 1.00 0.00 C ATOM 1114 O GLU B 15 -4.843 -0.702 1.465 1.00 0.00 O ATOM 1115 CB GLU B 15 -6.776 1.358 2.679 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.466 2.699 2.916 1.00 0.00 C ATOM 1117 CD GLU B 15 -8.907 2.468 3.350 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.134 2.214 4.554 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -9.808 2.546 2.485 1.00 0.00 O ATOM 0 H GLU B 15 -5.095 1.419 0.275 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.793 2.138 3.075 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.276 0.842 1.859 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.894 0.737 3.567 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -6.932 3.263 3.681 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.442 3.297 2.005 1.00 0.00 H new ATOM 1126 N THR B 16 -4.052 -0.274 3.523 1.00 0.00 N ATOM 1127 CA THR B 16 -3.470 -1.613 3.761 1.00 0.00 C ATOM 1128 C THR B 16 -3.787 -2.145 5.165 1.00 0.00 C ATOM 1129 O THR B 16 -4.079 -1.362 6.068 1.00 0.00 O ATOM 1130 CB THR B 16 -1.942 -1.641 3.535 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.235 -1.086 4.615 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.463 -0.876 2.302 1.00 0.00 C ATOM 0 H THR B 16 -3.917 0.368 4.304 1.00 0.00 H new ATOM 0 HA THR B 16 -3.940 -2.266 3.026 1.00 0.00 H new ATOM 0 HB THR B 16 -1.741 -2.705 3.409 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.293 -0.978 4.368 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.378 -0.952 2.225 1.00 0.00 H new ATOM 0 HG22 THR B 16 -1.920 -1.302 1.409 1.00 0.00 H new ATOM 0 HG23 THR B 16 -1.748 0.172 2.391 1.00 0.00 H new ATOM 1140 N THR B 17 -3.732 -3.459 5.375 1.00 0.00 N ATOM 1141 CA THR B 17 -4.207 -4.139 6.594 1.00 0.00 C ATOM 1142 C THR B 17 -3.311 -5.338 6.951 1.00 0.00 C ATOM 1143 O THR B 17 -2.851 -6.071 6.070 1.00 0.00 O ATOM 1144 CB THR B 17 -5.669 -4.639 6.443 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.440 -3.857 5.551 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.430 -4.645 7.766 1.00 0.00 C ATOM 0 H THR B 17 -3.346 -4.105 4.686 1.00 0.00 H new ATOM 0 HA THR B 17 -4.164 -3.399 7.394 1.00 0.00 H new ATOM 0 HB THR B 17 -5.551 -5.651 6.055 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.348 -4.222 5.497 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.446 -5.004 7.600 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.924 -5.302 8.474 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.464 -3.634 8.171 1.00 0.00 H new ATOM 1154 N THR B 18 -3.070 -5.535 8.250 1.00 0.00 N ATOM 1155 CA THR B 18 -2.191 -6.574 8.830 1.00 0.00 C ATOM 1156 C THR B 18 -2.780 -7.149 10.130 1.00 0.00 C ATOM 1157 O THR B 18 -3.712 -6.575 10.700 1.00 0.00 O ATOM 1158 CB THR B 18 -0.772 -6.016 9.093 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.157 -7.059 9.295 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.680 -5.078 10.302 1.00 0.00 C ATOM 0 H THR B 18 -3.500 -4.950 8.967 1.00 0.00 H new ATOM 0 HA THR B 18 -2.121 -7.381 8.101 1.00 0.00 H new ATOM 0 HB THR B 18 -0.538 -5.442 8.196 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.502 -7.362 8.429 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.347 -4.732 10.416 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.337 -4.222 10.149 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.985 -5.613 11.202 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.255 -8.277 10.618 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.609 -8.890 11.916 1.00 0.00 C ATOM 1170 C GLU B 19 -1.343 -9.191 12.714 1.00 0.00 C ATOM 1171 O GLU B 19 -0.554 -10.065 12.350 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.464 -10.153 11.726 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.920 -10.760 13.053 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.830 -11.954 12.801 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.307 -13.046 12.484 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.063 -11.802 12.950 1.00 0.00 O ATOM 0 H GLU B 19 -1.549 -8.810 10.110 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.212 -8.178 12.480 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.339 -9.908 11.123 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.891 -10.895 11.169 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.053 -11.071 13.636 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.447 -10.010 13.642 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.148 -8.434 13.791 1.00 0.00 N ATOM 1184 CA ALA B 20 0.067 -8.388 14.586 1.00 0.00 C ATOM 1185 C ALA B 20 -0.243 -8.522 16.085 1.00 0.00 C ATOM 1186 O ALA B 20 -1.404 -8.458 16.514 1.00 0.00 O ATOM 1187 CB ALA B 20 0.773 -7.066 14.264 1.00 0.00 C ATOM 0 H ALA B 20 -1.870 -7.808 14.146 1.00 0.00 H new ATOM 0 HA ALA B 20 0.718 -9.227 14.340 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.693 -6.994 14.844 1.00 0.00 H new ATOM 0 HB2 ALA B 20 1.010 -7.030 13.201 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.118 -6.233 14.518 1.00 0.00 H new ATOM 1193 N VAL B 21 0.798 -8.726 16.890 1.00 0.00 N ATOM 1194 CA VAL B 21 0.642 -8.943 18.342 1.00 0.00 C ATOM 1195 C VAL B 21 0.153 -7.677 19.057 1.00 0.00 C ATOM 1196 O VAL B 21 -0.738 -7.771 19.906 1.00 0.00 O ATOM 1197 CB VAL B 21 1.924 -9.516 18.974 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.139 -8.648 18.663 1.00 0.00 C ATOM 1199 CG2 VAL B 21 1.814 -9.721 20.489 1.00 0.00 C ATOM 0 H VAL B 21 1.765 -8.747 16.567 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.135 -9.696 18.476 1.00 0.00 H new ATOM 0 HB VAL B 21 2.055 -10.498 18.519 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.025 -9.083 19.125 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.282 -8.595 17.584 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.980 -7.644 19.058 1.00 0.00 H new ATOM 0 HG21 VAL B 21 2.751 -10.127 20.870 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.609 -8.765 20.972 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.003 -10.417 20.704 1.00 0.00 H new ATOM 1209 N ASP B 22 0.636 -6.485 18.676 1.00 0.00 N ATOM 1210 CA ASP B 22 0.198 -5.184 19.193 1.00 0.00 C ATOM 1211 C ASP B 22 0.374 -4.095 18.124 1.00 0.00 C ATOM 1212 O ASP B 22 1.047 -4.268 17.102 1.00 0.00 O ATOM 1213 CB ASP B 22 1.050 -4.836 20.436 1.00 0.00 C ATOM 1214 CG ASP B 22 0.740 -3.488 21.119 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.312 -3.377 21.793 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.541 -2.539 20.945 1.00 0.00 O ATOM 0 H ASP B 22 1.370 -6.400 17.973 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.857 -5.235 19.461 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.923 -5.630 21.172 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.100 -4.838 20.143 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.209 -2.953 18.438 1.00 0.00 N ATOM 1222 CA ALA B 23 -0.187 -1.713 17.667 1.00 0.00 C ATOM 1223 C ALA B 23 1.238 -1.276 17.268 1.00 0.00 C ATOM 1224 O ALA B 23 1.429 -0.723 16.190 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.903 -0.623 18.471 1.00 0.00 C ATOM 0 H ALA B 23 -0.749 -2.855 19.298 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.710 -1.885 16.726 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.894 0.310 17.907 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.934 -0.925 18.657 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.391 -0.477 19.422 1.00 0.00 H new ATOM 1231 N ALA B 24 2.254 -1.574 18.084 1.00 0.00 N ATOM 1232 CA ALA B 24 3.654 -1.273 17.814 1.00 0.00 C ATOM 1233 C ALA B 24 4.289 -2.242 16.798 1.00 0.00 C ATOM 1234 O ALA B 24 5.169 -1.849 16.036 1.00 0.00 O ATOM 1235 CB ALA B 24 4.429 -1.294 19.136 1.00 0.00 C ATOM 0 H ALA B 24 2.115 -2.046 18.977 1.00 0.00 H new ATOM 0 HA ALA B 24 3.704 -0.283 17.361 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.479 -1.070 18.946 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.015 -0.546 19.812 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.345 -2.281 19.591 1.00 0.00 H new ATOM 1241 N THR B 25 3.833 -3.496 16.730 1.00 0.00 N ATOM 1242 CA THR B 25 4.243 -4.472 15.705 1.00 0.00 C ATOM 1243 C THR B 25 3.551 -4.189 14.367 1.00 0.00 C ATOM 1244 O THR B 25 4.207 -4.162 13.328 1.00 0.00 O ATOM 1245 CB THR B 25 3.937 -5.903 16.159 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.432 -6.106 17.463 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.562 -6.965 15.251 1.00 0.00 C ATOM 0 H THR B 25 3.157 -3.872 17.395 1.00 0.00 H new ATOM 0 HA THR B 25 5.320 -4.371 15.567 1.00 0.00 H new ATOM 0 HB THR B 25 2.853 -6.012 16.119 1.00 0.00 H new ATOM 0 HG1 THR B 25 4.962 -6.930 17.487 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.310 -7.957 15.625 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.177 -6.850 14.238 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.645 -6.845 15.243 1.00 0.00 H new ATOM 1255 N ALA B 26 2.254 -3.867 14.371 1.00 0.00 N ATOM 1256 CA ALA B 26 1.565 -3.371 13.171 1.00 0.00 C ATOM 1257 C ALA B 26 2.182 -2.064 12.627 1.00 0.00 C ATOM 1258 O ALA B 26 2.431 -1.942 11.428 1.00 0.00 O ATOM 1259 CB ALA B 26 0.091 -3.172 13.505 1.00 0.00 C ATOM 0 H ALA B 26 1.656 -3.941 15.194 1.00 0.00 H new ATOM 0 HA ALA B 26 1.679 -4.112 12.380 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.435 -2.804 12.624 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.343 -4.122 13.816 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.004 -2.447 14.314 1.00 0.00 H new ATOM 1265 N GLU B 27 2.539 -1.154 13.545 1.00 0.00 N ATOM 1266 CA GLU B 27 3.334 0.057 13.245 1.00 0.00 C ATOM 1267 C GLU B 27 4.702 -0.300 12.668 1.00 0.00 C ATOM 1268 O GLU B 27 5.134 0.326 11.706 1.00 0.00 O ATOM 1269 CB GLU B 27 3.495 0.994 14.456 1.00 0.00 C ATOM 1270 CG GLU B 27 4.142 2.325 14.071 1.00 0.00 C ATOM 1271 CD GLU B 27 4.277 3.232 15.285 1.00 0.00 C ATOM 1272 OE1 GLU B 27 5.174 2.976 16.118 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.520 4.224 15.379 1.00 0.00 O ATOM 0 H GLU B 27 2.283 -1.234 14.529 1.00 0.00 H new ATOM 0 HA GLU B 27 2.764 0.603 12.493 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.518 1.182 14.901 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.102 0.502 15.216 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.125 2.144 13.636 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.541 2.819 13.307 1.00 0.00 H new ATOM 1280 N LYS B 28 5.362 -1.343 13.176 1.00 0.00 N ATOM 1281 CA LYS B 28 6.627 -1.830 12.594 1.00 0.00 C ATOM 1282 C LYS B 28 6.472 -2.413 11.169 1.00 0.00 C ATOM 1283 O LYS B 28 7.280 -2.096 10.294 1.00 0.00 O ATOM 1284 CB LYS B 28 7.284 -2.824 13.569 1.00 0.00 C ATOM 1285 CG LYS B 28 8.724 -3.198 13.189 1.00 0.00 C ATOM 1286 CD LYS B 28 9.342 -4.091 14.276 1.00 0.00 C ATOM 1287 CE LYS B 28 10.764 -4.513 13.890 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.396 -5.336 14.942 1.00 0.00 N ATOM 0 H LYS B 28 5.046 -1.871 13.990 1.00 0.00 H new ATOM 0 HA LYS B 28 7.285 -0.972 12.461 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.282 -2.393 14.570 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.681 -3.731 13.611 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.732 -3.719 12.232 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.322 -2.295 13.066 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.362 -3.555 15.225 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.722 -4.976 14.422 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.736 -5.075 12.957 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.370 -3.625 13.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.356 -5.602 14.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.446 -4.791 15.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.831 -6.195 15.097 1.00 0.00 H new ATOM 1302 N VAL B 29 5.443 -3.220 10.879 1.00 0.00 N ATOM 1303 CA VAL B 29 5.134 -3.679 9.499 1.00 0.00 C ATOM 1304 C VAL B 29 4.810 -2.498 8.572 1.00 0.00 C ATOM 1305 O VAL B 29 5.400 -2.365 7.498 1.00 0.00 O ATOM 1306 CB VAL B 29 3.967 -4.695 9.491 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.567 -5.129 8.074 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.346 -5.972 10.255 1.00 0.00 C ATOM 0 H VAL B 29 4.798 -3.577 11.584 1.00 0.00 H new ATOM 0 HA VAL B 29 6.028 -4.176 9.122 1.00 0.00 H new ATOM 0 HB VAL B 29 3.132 -4.179 9.965 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.744 -5.842 8.130 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.253 -4.256 7.501 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.420 -5.598 7.583 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.509 -6.670 10.235 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.215 -6.433 9.785 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.584 -5.721 11.289 1.00 0.00 H new ATOM 1318 N PHE B 30 3.931 -1.592 8.997 1.00 0.00 N ATOM 1319 CA PHE B 30 3.590 -0.403 8.210 1.00 0.00 C ATOM 1320 C PHE B 30 4.807 0.503 7.935 1.00 0.00 C ATOM 1321 O PHE B 30 4.991 0.955 6.807 1.00 0.00 O ATOM 1322 CB PHE B 30 2.469 0.389 8.896 1.00 0.00 C ATOM 1323 CG PHE B 30 1.152 -0.342 9.125 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.662 -1.286 8.196 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.394 -0.053 10.279 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.564 -1.936 8.427 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.826 -0.712 10.511 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.306 -1.646 9.582 1.00 0.00 C ATOM 0 H PHE B 30 3.438 -1.658 9.888 1.00 0.00 H new ATOM 0 HA PHE B 30 3.239 -0.755 7.240 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.839 0.734 9.862 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.265 1.277 8.297 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.230 -1.510 7.305 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.753 0.678 10.988 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -0.934 -2.659 7.715 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.393 -0.499 11.405 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.249 -2.143 9.756 1.00 0.00 H new ATOM 1338 N LYS B 31 5.688 0.712 8.917 1.00 0.00 N ATOM 1339 CA LYS B 31 6.929 1.478 8.728 1.00 0.00 C ATOM 1340 C LYS B 31 7.987 0.748 7.876 1.00 0.00 C ATOM 1341 O LYS B 31 8.856 1.399 7.300 1.00 0.00 O ATOM 1342 CB LYS B 31 7.518 1.905 10.081 1.00 0.00 C ATOM 1343 CG LYS B 31 6.717 3.073 10.676 1.00 0.00 C ATOM 1344 CD LYS B 31 7.324 3.547 12.005 1.00 0.00 C ATOM 1345 CE LYS B 31 6.537 4.716 12.612 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.715 5.975 11.858 1.00 0.00 N ATOM 0 H LYS B 31 5.564 0.357 9.865 1.00 0.00 H new ATOM 0 HA LYS B 31 6.649 2.366 8.162 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.507 1.061 10.771 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.560 2.199 9.953 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.697 3.901 9.967 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.684 2.764 10.835 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.343 2.717 12.711 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.358 3.851 11.843 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.478 4.460 12.640 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.856 4.867 13.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.814 6.768 12.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.569 5.909 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.887 6.135 11.250 1.00 0.00 H new ATOM 1360 N GLN B 32 7.915 -0.580 7.740 1.00 0.00 N ATOM 1361 CA GLN B 32 8.731 -1.353 6.791 1.00 0.00 C ATOM 1362 C GLN B 32 8.296 -1.144 5.324 1.00 0.00 C ATOM 1363 O GLN B 32 9.144 -0.835 4.485 1.00 0.00 O ATOM 1364 CB GLN B 32 8.703 -2.839 7.191 1.00 0.00 C ATOM 1365 CG GLN B 32 9.793 -3.153 8.220 1.00 0.00 C ATOM 1366 CD GLN B 32 9.639 -4.555 8.760 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.350 -5.477 8.380 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.697 -4.752 9.657 1.00 0.00 N ATOM 0 H GLN B 32 7.281 -1.158 8.292 1.00 0.00 H new ATOM 0 HA GLN B 32 9.756 -0.987 6.845 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.726 -3.089 7.604 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.844 -3.460 6.306 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.775 -3.042 7.760 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.742 -2.436 9.039 1.00 0.00 H new ATOM 0 HE21 GLN B 32 8.113 -3.973 9.963 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.550 -5.683 10.046 1.00 0.00 H new ATOM 1377 N TYR B 33 6.997 -1.220 5.002 1.00 0.00 N ATOM 1378 CA TYR B 33 6.485 -0.918 3.642 1.00 0.00 C ATOM 1379 C TYR B 33 6.572 0.586 3.289 1.00 0.00 C ATOM 1380 O TYR B 33 6.939 0.962 2.174 1.00 0.00 O ATOM 1381 CB TYR B 33 5.026 -1.391 3.505 1.00 0.00 C ATOM 1382 CG TYR B 33 4.841 -2.874 3.215 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.079 -3.834 4.220 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.377 -3.295 1.951 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.845 -5.200 3.969 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.150 -4.664 1.700 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.376 -5.613 2.711 1.00 0.00 C ATOM 1388 OH TYR B 33 4.115 -6.929 2.478 1.00 0.00 O ATOM 0 H TYR B 33 6.270 -1.490 5.665 1.00 0.00 H new ATOM 0 HA TYR B 33 7.123 -1.457 2.942 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.497 -1.150 4.427 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.551 -0.821 2.707 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.443 -3.520 5.187 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.195 -2.567 1.174 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.026 -5.930 4.744 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.802 -4.983 0.729 1.00 0.00 H new ATOM 0 HH TYR B 33 3.396 -7.008 1.816 1.00 0.00 H new ATOM 1398 N PHE B 34 6.273 1.434 4.273 1.00 0.00 N ATOM 1399 CA PHE B 34 6.182 2.899 4.148 1.00 0.00 C ATOM 1400 C PHE B 34 7.407 3.640 4.728 1.00 0.00 C ATOM 1401 O PHE B 34 7.307 4.770 5.214 1.00 0.00 O ATOM 1402 CB PHE B 34 4.812 3.400 4.640 1.00 0.00 C ATOM 1403 CG PHE B 34 3.649 2.736 3.919 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.509 2.898 2.525 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.742 1.910 4.613 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.492 2.224 1.830 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.719 1.240 3.917 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.596 1.396 2.526 1.00 0.00 C ATOM 0 H PHE B 34 6.078 1.111 5.221 1.00 0.00 H new ATOM 0 HA PHE B 34 6.230 3.156 3.090 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.725 3.213 5.710 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.753 4.479 4.499 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.188 3.544 1.989 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.833 1.791 5.683 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.399 2.342 0.761 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.028 0.606 4.452 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.812 0.879 1.992 1.00 0.00 H new ATOM 1418 N ASN B 35 8.579 2.997 4.657 1.00 0.00 N ATOM 1419 CA ASN B 35 9.870 3.527 5.111 1.00 0.00 C ATOM 1420 C ASN B 35 10.264 4.897 4.500 1.00 0.00 C ATOM 1421 O ASN B 35 10.879 5.715 5.191 1.00 0.00 O ATOM 1422 CB ASN B 35 10.961 2.459 4.889 1.00 0.00 C ATOM 1423 CG ASN B 35 11.235 2.141 3.426 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.921 2.877 2.727 1.00 0.00 O ATOM 1425 ND2 ASN B 35 10.722 1.039 2.917 1.00 0.00 N ATOM 0 H ASN B 35 8.657 2.058 4.267 1.00 0.00 H new ATOM 0 HA ASN B 35 9.768 3.741 6.175 1.00 0.00 H new ATOM 0 HB2 ASN B 35 11.886 2.799 5.355 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.665 1.542 5.399 1.00 0.00 H new ATOM 0 HD21 ASN B 35 10.896 0.799 1.941 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.151 0.426 3.499 1.00 0.00 H new ATOM 1432 N ASP B 36 9.894 5.161 3.235 1.00 0.00 N ATOM 1433 CA ASP B 36 10.136 6.435 2.532 1.00 0.00 C ATOM 1434 C ASP B 36 9.198 6.634 1.327 1.00 0.00 C ATOM 1435 O ASP B 36 8.282 7.452 1.403 1.00 0.00 O ATOM 1436 CB ASP B 36 11.624 6.510 2.117 1.00 0.00 C ATOM 1437 CG ASP B 36 12.006 7.843 1.448 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.403 8.794 2.162 1.00 0.00 O ATOM 1439 OD2 ASP B 36 11.912 7.922 0.201 1.00 0.00 O ATOM 0 H ASP B 36 9.405 4.477 2.657 1.00 0.00 H new ATOM 0 HA ASP B 36 9.911 7.253 3.217 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.247 6.363 2.999 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.844 5.692 1.431 1.00 0.00 H new ATOM 1444 N ASN B 37 9.395 5.878 0.236 1.00 0.00 N ATOM 1445 CA ASN B 37 8.699 5.988 -1.068 1.00 0.00 C ATOM 1446 C ASN B 37 8.552 7.435 -1.629 1.00 0.00 C ATOM 1447 O ASN B 37 7.647 7.746 -2.405 1.00 0.00 O ATOM 1448 CB ASN B 37 7.368 5.222 -0.994 1.00 0.00 C ATOM 1449 CG ASN B 37 7.542 3.782 -0.541 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.348 3.028 -1.071 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.806 3.376 0.472 1.00 0.00 N ATOM 0 H ASN B 37 10.085 5.127 0.234 1.00 0.00 H new ATOM 0 HA ASN B 37 9.343 5.521 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.696 5.736 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.892 5.235 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.904 2.424 0.824 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.138 4.014 0.905 1.00 0.00 H new ATOM 1458 N GLY B 38 9.440 8.325 -1.184 1.00 0.00 N ATOM 1459 CA GLY B 38 9.407 9.784 -1.382 1.00 0.00 C ATOM 1460 C GLY B 38 8.161 10.486 -0.796 1.00 0.00 C ATOM 1461 O GLY B 38 7.923 11.661 -1.083 1.00 0.00 O ATOM 0 H GLY B 38 10.253 8.034 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY B 38 10.299 10.219 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY B 38 9.457 9.993 -2.451 1.00 0.00 H new ATOM 1465 N VAL B 39 7.358 9.771 0.002 1.00 0.00 N ATOM 1466 CA VAL B 39 6.219 10.293 0.779 1.00 0.00 C ATOM 1467 C VAL B 39 6.730 10.936 2.075 1.00 0.00 C ATOM 1468 O VAL B 39 6.396 12.089 2.361 1.00 0.00 O ATOM 1469 CB VAL B 39 5.222 9.162 1.138 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.992 9.663 1.908 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.690 8.452 -0.113 1.00 0.00 C ATOM 0 H VAL B 39 7.488 8.768 0.132 1.00 0.00 H new ATOM 0 HA VAL B 39 5.704 11.034 0.167 1.00 0.00 H new ATOM 0 HB VAL B 39 5.801 8.482 1.763 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.334 8.823 2.129 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.311 10.129 2.840 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.456 10.394 1.302 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.995 7.666 0.183 1.00 0.00 H new ATOM 0 HG22 VAL B 39 4.175 9.172 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.522 8.012 -0.663 1.00 0.00 H new ATOM 1481 N ASP B 40 7.555 10.193 2.838 1.00 0.00 N ATOM 1482 CA ASP B 40 8.143 10.556 4.149 1.00 0.00 C ATOM 1483 C ASP B 40 7.220 11.405 5.058 1.00 0.00 C ATOM 1484 O ASP B 40 7.634 12.385 5.683 1.00 0.00 O ATOM 1485 CB ASP B 40 9.570 11.120 3.957 1.00 0.00 C ATOM 1486 CG ASP B 40 9.686 12.433 3.147 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.711 12.374 1.893 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.840 13.520 3.758 1.00 0.00 O ATOM 0 H ASP B 40 7.849 9.263 2.539 1.00 0.00 H new ATOM 0 HA ASP B 40 8.239 9.638 4.729 1.00 0.00 H new ATOM 0 HB2 ASP B 40 10.007 11.286 4.942 1.00 0.00 H new ATOM 0 HB3 ASP B 40 10.175 10.359 3.464 1.00 0.00 H new ATOM 1493 N GLY B 41 5.941 11.022 5.098 1.00 0.00 N ATOM 1494 CA GLY B 41 4.846 11.783 5.710 1.00 0.00 C ATOM 1495 C GLY B 41 4.768 11.749 7.244 1.00 0.00 C ATOM 1496 O GLY B 41 5.510 11.030 7.920 1.00 0.00 O ATOM 0 H GLY B 41 5.627 10.141 4.690 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.934 12.823 5.395 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.904 11.408 5.311 1.00 0.00 H new ATOM 1500 N GLU B 42 3.830 12.529 7.788 1.00 0.00 N ATOM 1501 CA GLU B 42 3.423 12.526 9.208 1.00 0.00 C ATOM 1502 C GLU B 42 2.535 11.321 9.532 1.00 0.00 C ATOM 1503 O GLU B 42 1.709 10.923 8.711 1.00 0.00 O ATOM 1504 CB GLU B 42 2.665 13.827 9.532 1.00 0.00 C ATOM 1505 CG GLU B 42 2.283 14.020 11.002 1.00 0.00 C ATOM 1506 CD GLU B 42 3.516 14.106 11.895 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.011 13.045 12.334 1.00 0.00 O ATOM 1508 OE2 GLU B 42 3.976 15.240 12.162 1.00 0.00 O ATOM 0 H GLU B 42 3.309 13.209 7.235 1.00 0.00 H new ATOM 0 HA GLU B 42 4.324 12.458 9.818 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.279 14.672 9.221 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.756 13.856 8.932 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.692 14.929 11.109 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.654 13.191 11.327 1.00 0.00 H new ATOM 1515 N TRP B 43 2.688 10.773 10.737 1.00 0.00 N ATOM 1516 CA TRP B 43 1.967 9.590 11.231 1.00 0.00 C ATOM 1517 C TRP B 43 0.931 9.937 12.321 1.00 0.00 C ATOM 1518 O TRP B 43 1.153 10.801 13.175 1.00 0.00 O ATOM 1519 CB TRP B 43 2.975 8.537 11.724 1.00 0.00 C ATOM 1520 CG TRP B 43 3.767 7.860 10.640 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.712 8.449 9.872 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.676 6.481 10.159 1.00 0.00 C ATOM 1523 NE1 TRP B 43 5.178 7.555 8.930 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.556 6.333 9.043 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.932 5.343 10.542 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.669 5.135 8.325 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.046 4.130 9.836 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.898 4.030 8.722 1.00 0.00 C ATOM 0 H TRP B 43 3.340 11.151 11.424 1.00 0.00 H new ATOM 0 HA TRP B 43 1.397 9.175 10.400 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.669 9.015 12.415 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.436 7.776 12.289 1.00 0.00 H new ATOM 0 HD1 TRP B 43 5.052 9.468 9.980 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.894 7.773 8.237 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.265 5.404 11.389 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.338 5.062 7.480 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.475 3.270 10.153 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.960 3.103 8.171 1.00 0.00 H new ATOM 1539 N THR B 44 -0.213 9.254 12.281 1.00 0.00 N ATOM 1540 CA THR B 44 -1.372 9.416 13.185 1.00 0.00 C ATOM 1541 C THR B 44 -1.950 8.040 13.556 1.00 0.00 C ATOM 1542 O THR B 44 -1.804 7.103 12.766 1.00 0.00 O ATOM 1543 CB THR B 44 -2.505 10.223 12.508 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.043 11.115 11.513 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.323 11.024 13.521 1.00 0.00 C ATOM 0 H THR B 44 -0.374 8.530 11.581 1.00 0.00 H new ATOM 0 HA THR B 44 -1.017 9.945 14.070 1.00 0.00 H new ATOM 0 HB THR B 44 -3.131 9.467 12.034 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.769 10.608 10.720 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.107 11.575 13.001 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.775 10.344 14.243 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.671 11.725 14.042 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.665 7.896 14.680 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.369 6.658 15.063 1.00 0.00 C ATOM 1555 C TYR B 45 -4.677 6.929 15.834 1.00 0.00 C ATOM 1556 O TYR B 45 -4.707 7.757 16.751 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.430 5.810 15.934 1.00 0.00 C ATOM 1558 CG TYR B 45 -3.035 4.516 16.460 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.395 3.492 15.565 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -3.236 4.325 17.842 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.947 2.289 16.038 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.785 3.117 18.316 1.00 0.00 C ATOM 1563 CZ TYR B 45 -4.143 2.101 17.415 1.00 0.00 C ATOM 1564 OH TYR B 45 -4.681 0.935 17.869 1.00 0.00 O ATOM 0 H TYR B 45 -2.774 8.647 15.362 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.642 6.133 14.148 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.540 5.568 15.353 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.103 6.412 16.782 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.246 3.632 14.504 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.969 5.106 18.539 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -4.220 1.510 15.342 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.931 2.972 19.376 1.00 0.00 H new ATOM 0 HH TYR B 45 -5.058 1.075 18.763 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.745 6.208 15.476 1.00 0.00 N ATOM 1575 CA ASP B 46 -7.037 6.128 16.180 1.00 0.00 C ATOM 1576 C ASP B 46 -7.309 4.691 16.646 1.00 0.00 C ATOM 1577 O ASP B 46 -7.502 3.793 15.818 1.00 0.00 O ATOM 1578 CB ASP B 46 -8.172 6.628 15.267 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.112 8.141 14.975 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.558 8.938 15.837 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.650 8.534 13.876 1.00 0.00 O ATOM 0 H ASP B 46 -5.734 5.628 14.637 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.994 6.768 17.061 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -8.134 6.083 14.324 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -9.130 6.394 15.732 1.00 0.00 H new ATOM 1586 N ASP B 47 -7.342 4.447 17.961 1.00 0.00 N ATOM 1587 CA ASP B 47 -7.553 3.107 18.539 1.00 0.00 C ATOM 1588 C ASP B 47 -9.013 2.636 18.467 1.00 0.00 C ATOM 1589 O ASP B 47 -9.281 1.460 18.236 1.00 0.00 O ATOM 1590 CB ASP B 47 -7.057 3.112 19.995 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.913 1.690 20.561 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.863 1.052 20.315 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -7.870 1.203 21.209 1.00 0.00 O ATOM 0 H ASP B 47 -7.222 5.177 18.663 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.983 2.395 17.942 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -6.095 3.622 20.048 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -7.753 3.679 20.613 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.969 3.561 18.545 1.00 0.00 N ATOM 1599 CA ALA B 48 -11.415 3.301 18.392 1.00 0.00 C ATOM 1600 C ALA B 48 -11.824 2.715 17.012 1.00 0.00 C ATOM 1601 O ALA B 48 -12.959 2.274 16.813 1.00 0.00 O ATOM 1602 CB ALA B 48 -12.168 4.604 18.687 1.00 0.00 C ATOM 0 H ALA B 48 -9.761 4.544 18.721 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.685 2.521 19.104 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -13.240 4.437 18.580 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.951 4.927 19.705 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.849 5.375 17.986 1.00 0.00 H new ATOM 1608 N THR B 49 -10.884 2.739 16.068 1.00 0.00 N ATOM 1609 CA THR B 49 -10.949 2.062 14.762 1.00 0.00 C ATOM 1610 C THR B 49 -9.701 1.201 14.444 1.00 0.00 C ATOM 1611 O THR B 49 -9.507 0.773 13.306 1.00 0.00 O ATOM 1612 CB THR B 49 -11.355 3.075 13.667 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.622 2.482 12.415 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.356 4.218 13.491 1.00 0.00 C ATOM 0 H THR B 49 -10.013 3.254 16.194 1.00 0.00 H new ATOM 0 HA THR B 49 -11.738 1.311 14.798 1.00 0.00 H new ATOM 0 HB THR B 49 -12.287 3.495 14.044 1.00 0.00 H new ATOM 0 HG1 THR B 49 -11.020 1.721 12.278 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.706 4.889 12.707 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.265 4.769 14.427 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.383 3.812 13.214 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.818 0.938 15.425 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.518 0.258 15.278 1.00 0.00 C ATOM 1624 C LYS B 50 -6.750 0.612 13.979 1.00 0.00 C ATOM 1625 O LYS B 50 -6.193 -0.256 13.302 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.713 -1.258 15.489 1.00 0.00 C ATOM 1627 CG LYS B 50 -8.324 -1.640 16.852 1.00 0.00 C ATOM 1628 CD LYS B 50 -7.445 -1.191 18.030 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.911 -1.770 19.371 1.00 0.00 C ATOM 1630 NZ LYS B 50 -9.046 -1.028 19.952 1.00 0.00 N ATOM 0 H LYS B 50 -9.002 1.208 16.391 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.855 0.637 16.056 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -8.355 -1.643 14.697 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.748 -1.754 15.386 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.311 -1.188 16.945 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -8.463 -2.720 16.896 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -6.415 -1.496 17.846 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -7.450 -0.103 18.088 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.198 -2.812 19.231 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.078 -1.760 20.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -9.553 -1.639 20.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -8.692 -0.186 20.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -9.694 -0.735 19.193 1.00 0.00 H new ATOM 1644 N THR B 51 -6.746 1.898 13.613 1.00 0.00 N ATOM 1645 CA THR B 51 -6.249 2.363 12.300 1.00 0.00 C ATOM 1646 C THR B 51 -5.233 3.499 12.431 1.00 0.00 C ATOM 1647 O THR B 51 -5.403 4.428 13.223 1.00 0.00 O ATOM 1648 CB THR B 51 -7.412 2.799 11.382 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.278 1.722 11.096 1.00 0.00 O ATOM 1650 CG2 THR B 51 -6.973 3.336 10.018 1.00 0.00 C ATOM 0 H THR B 51 -7.085 2.650 14.213 1.00 0.00 H new ATOM 0 HA THR B 51 -5.740 1.512 11.846 1.00 0.00 H new ATOM 0 HB THR B 51 -7.898 3.591 11.952 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.686 1.401 11.927 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.852 3.619 9.438 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.335 4.208 10.159 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.419 2.564 9.484 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.181 3.437 11.618 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.128 4.432 11.447 1.00 0.00 C ATOM 1660 C PHE B 52 -3.380 5.239 10.160 1.00 0.00 C ATOM 1661 O PHE B 52 -3.877 4.696 9.170 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.770 3.723 11.341 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.265 3.092 12.623 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.702 1.809 13.009 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.349 3.790 13.433 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.225 1.227 14.196 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.121 3.211 14.624 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.319 1.932 15.007 1.00 0.00 C ATOM 0 H PHE B 52 -4.032 2.627 11.016 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.127 5.106 12.304 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.842 2.948 10.578 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.029 4.443 10.994 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.406 1.271 12.391 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.007 4.771 13.139 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.554 0.240 14.485 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.821 3.749 15.246 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.039 1.491 15.925 1.00 0.00 H new ATOM 1678 N THR B 53 -3.037 6.525 10.157 1.00 0.00 N ATOM 1679 CA THR B 53 -3.223 7.420 8.998 1.00 0.00 C ATOM 1680 C THR B 53 -1.938 8.198 8.706 1.00 0.00 C ATOM 1681 O THR B 53 -1.405 8.879 9.587 1.00 0.00 O ATOM 1682 CB THR B 53 -4.390 8.402 9.231 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.576 7.713 9.568 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.703 9.256 8.000 1.00 0.00 C ATOM 0 H THR B 53 -2.617 6.988 10.963 1.00 0.00 H new ATOM 0 HA THR B 53 -3.465 6.798 8.137 1.00 0.00 H new ATOM 0 HB THR B 53 -4.062 9.047 10.047 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.299 8.358 9.712 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.532 9.927 8.224 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.824 9.842 7.731 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.976 8.608 7.167 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.447 8.104 7.466 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.186 8.717 6.993 1.00 0.00 C ATOM 1694 C VAL B 54 -0.482 9.753 5.907 1.00 0.00 C ATOM 1695 O VAL B 54 -1.215 9.462 4.961 1.00 0.00 O ATOM 1696 CB VAL B 54 0.801 7.652 6.471 1.00 0.00 C ATOM 1697 CG1 VAL B 54 2.126 8.269 5.997 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.141 6.650 7.578 1.00 0.00 C ATOM 0 H VAL B 54 -1.928 7.582 6.733 1.00 0.00 H new ATOM 0 HA VAL B 54 0.286 9.214 7.840 1.00 0.00 H new ATOM 0 HB VAL B 54 0.305 7.164 5.632 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.787 7.480 5.639 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.931 8.973 5.189 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.601 8.792 6.827 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.838 5.906 7.193 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.598 7.176 8.417 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.230 6.155 7.913 1.00 0.00 H new ATOM 1708 N THR B 55 0.051 10.963 6.064 1.00 0.00 N ATOM 1709 CA THR B 55 -0.202 12.111 5.167 1.00 0.00 C ATOM 1710 C THR B 55 1.095 12.861 4.809 1.00 0.00 C ATOM 1711 O THR B 55 1.945 13.049 5.684 1.00 0.00 O ATOM 1712 CB THR B 55 -1.263 13.044 5.790 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.472 12.346 6.012 1.00 0.00 O ATOM 1714 CG2 THR B 55 -1.621 14.251 4.925 1.00 0.00 C ATOM 0 H THR B 55 0.685 11.187 6.831 1.00 0.00 H new ATOM 0 HA THR B 55 -0.597 11.730 4.225 1.00 0.00 H new ATOM 0 HB THR B 55 -0.805 13.394 6.715 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.132 12.953 6.408 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.372 14.854 5.435 1.00 0.00 H new ATOM 0 HG22 THR B 55 -0.729 14.852 4.752 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.018 13.909 3.969 1.00 0.00 H new ATOM 1722 N GLU B 56 1.262 13.299 3.547 1.00 0.00 N ATOM 1723 CA GLU B 56 2.366 14.196 3.118 1.00 0.00 C ATOM 1724 C GLU B 56 2.283 15.578 3.778 1.00 0.00 C ATOM 1725 O GLU B 56 3.277 15.983 4.417 1.00 0.00 O ATOM 1726 CB GLU B 56 2.426 14.379 1.593 1.00 0.00 C ATOM 1727 CG GLU B 56 2.991 13.148 0.883 1.00 0.00 C ATOM 1728 CD GLU B 56 3.281 13.432 -0.587 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.091 14.339 -0.879 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.707 12.728 -1.446 1.00 0.00 O ATOM 1731 OXT GLU B 56 1.239 16.250 3.635 1.00 0.00 O ATOM 0 H GLU B 56 0.633 13.042 2.786 1.00 0.00 H new ATOM 0 HA GLU B 56 3.277 13.696 3.446 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.425 14.587 1.214 1.00 0.00 H new ATOM 0 HB3 GLU B 56 3.042 15.247 1.357 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.907 12.829 1.380 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.282 12.324 0.962 1.00 0.00 H new TER 1738 GLU B 56