USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 66:sc= 0.42 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 59 CYS SG : rot 176:sc= -1.19 USER MOD Set 3.2: A 69 TYR OH : rot 52:sc= 0.126 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0642 (180deg=-0.0626) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -170:sc= -0.228 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -0.0139 (180deg=-0.233) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.7) USER MOD Single : A 36 THR OG1 : rot -80:sc= 0.409 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00403) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 0.00128 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.354 (180deg=-1.31!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -3.11! C(o=-3.1!,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.172 (180deg=-0.172) USER MOD Single : A 70 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.099) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.542 F(o=-1.3,f=-0.54) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.721 -8.290 15.605 1.00 0.00 N ATOM 2 CA MET A 1 1.050 -7.150 14.709 1.00 0.00 C ATOM 3 C MET A 1 1.858 -7.614 13.501 1.00 0.00 C ATOM 4 O MET A 1 2.462 -8.686 13.521 1.00 0.00 O ATOM 5 CB MET A 1 1.845 -6.115 15.508 1.00 0.00 C ATOM 6 CG MET A 1 0.991 -5.295 16.460 1.00 0.00 C ATOM 7 SD MET A 1 1.976 -4.324 17.616 1.00 0.00 S ATOM 8 CE MET A 1 2.284 -2.851 16.645 1.00 0.00 C ATOM 0 H1 MET A 1 -0.303 -8.468 15.579 1.00 0.00 H new ATOM 0 H2 MET A 1 1.228 -9.140 15.286 1.00 0.00 H new ATOM 0 H3 MET A 1 1.008 -8.061 16.578 1.00 0.00 H new ATOM 0 HA MET A 1 0.125 -6.709 14.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.621 -6.626 16.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.350 -5.442 14.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.351 -4.627 15.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.335 -5.962 17.019 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.884 -2.151 17.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.820 -3.121 15.735 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.335 -2.384 16.382 1.00 0.00 H new ATOM 20 N LEU A 2 1.864 -6.798 12.452 1.00 0.00 N ATOM 21 CA LEU A 2 2.600 -7.124 11.234 1.00 0.00 C ATOM 22 C LEU A 2 3.845 -6.253 11.102 1.00 0.00 C ATOM 23 O LEU A 2 4.126 -5.421 11.963 1.00 0.00 O ATOM 24 CB LEU A 2 1.705 -6.945 10.007 1.00 0.00 C ATOM 25 CG LEU A 2 0.757 -5.745 10.064 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.545 -4.450 10.192 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.133 -5.710 8.832 1.00 0.00 C ATOM 0 H LEU A 2 1.368 -5.907 12.420 1.00 0.00 H new ATOM 0 HA LEU A 2 2.912 -8.166 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.339 -6.846 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.113 -7.850 9.874 1.00 0.00 H new ATOM 0 HG LEU A 2 0.121 -5.849 10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.855 -3.607 10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.140 -4.475 11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.205 -4.339 9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.801 -4.850 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.486 -5.630 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.723 -6.625 8.783 1.00 0.00 H new ATOM 39 N THR A 3 4.585 -6.450 10.016 1.00 0.00 N ATOM 40 CA THR A 3 5.799 -5.681 9.769 1.00 0.00 C ATOM 41 C THR A 3 5.696 -4.909 8.460 1.00 0.00 C ATOM 42 O THR A 3 4.636 -4.862 7.836 1.00 0.00 O ATOM 43 CB THR A 3 7.017 -6.607 9.733 1.00 0.00 C ATOM 44 OG1 THR A 3 6.737 -7.829 10.390 1.00 0.00 O ATOM 45 CG2 THR A 3 8.244 -6.005 10.383 1.00 0.00 C ATOM 0 H THR A 3 4.365 -7.135 9.293 1.00 0.00 H new ATOM 0 HA THR A 3 5.918 -4.967 10.584 1.00 0.00 H new ATOM 0 HB THR A 3 7.228 -6.768 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.527 -8.408 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.071 -6.712 10.324 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.515 -5.085 9.866 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.030 -5.784 11.429 1.00 0.00 H new ATOM 53 N ILE A 4 6.806 -4.305 8.048 1.00 0.00 N ATOM 54 CA ILE A 4 6.844 -3.535 6.814 1.00 0.00 C ATOM 55 C ILE A 4 8.034 -3.937 5.951 1.00 0.00 C ATOM 56 O ILE A 4 9.176 -3.939 6.412 1.00 0.00 O ATOM 57 CB ILE A 4 6.919 -2.024 7.102 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.824 -1.614 8.088 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.799 -1.233 5.810 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.256 -1.688 9.537 1.00 0.00 C ATOM 0 H ILE A 4 7.692 -4.335 8.553 1.00 0.00 H new ATOM 0 HA ILE A 4 5.921 -3.751 6.276 1.00 0.00 H new ATOM 0 HB ILE A 4 7.887 -1.803 7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.507 -0.596 7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.956 -2.257 7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.854 -0.167 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.613 -1.507 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.844 -1.457 5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.430 -1.383 10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.545 -2.711 9.779 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.105 -1.023 9.698 1.00 0.00 H new ATOM 72 N GLU A 5 7.761 -4.278 4.696 1.00 0.00 N ATOM 73 CA GLU A 5 8.810 -4.683 3.767 1.00 0.00 C ATOM 74 C GLU A 5 8.780 -3.824 2.506 1.00 0.00 C ATOM 75 O GLU A 5 7.813 -3.103 2.257 1.00 0.00 O ATOM 76 CB GLU A 5 8.654 -6.160 3.399 1.00 0.00 C ATOM 77 CG GLU A 5 9.488 -7.092 4.262 1.00 0.00 C ATOM 78 CD GLU A 5 10.959 -7.070 3.889 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.576 -5.988 3.974 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.492 -8.135 3.513 1.00 0.00 O ATOM 0 H GLU A 5 6.822 -4.282 4.299 1.00 0.00 H new ATOM 0 HA GLU A 5 9.772 -4.540 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.604 -6.439 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.934 -6.297 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.378 -6.808 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.107 -8.109 4.166 1.00 0.00 H new ATOM 87 N THR A 6 9.843 -3.905 1.715 1.00 0.00 N ATOM 88 CA THR A 6 9.939 -3.134 0.480 1.00 0.00 C ATOM 89 C THR A 6 10.607 -3.949 -0.621 1.00 0.00 C ATOM 90 O THR A 6 11.308 -4.924 -0.348 1.00 0.00 O ATOM 91 CB THR A 6 10.719 -1.843 0.720 1.00 0.00 C ATOM 92 OG1 THR A 6 12.055 -2.127 1.099 1.00 0.00 O ATOM 93 CG2 THR A 6 10.113 -0.968 1.797 1.00 0.00 C ATOM 0 H THR A 6 10.651 -4.497 1.906 1.00 0.00 H new ATOM 0 HA THR A 6 8.928 -2.885 0.158 1.00 0.00 H new ATOM 0 HB THR A 6 10.683 -1.304 -0.227 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.539 -1.288 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.716 -0.068 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.098 -0.690 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.088 -1.516 2.739 1.00 0.00 H new ATOM 101 N SER A 7 10.385 -3.544 -1.868 1.00 0.00 N ATOM 102 CA SER A 7 10.967 -4.239 -3.011 1.00 0.00 C ATOM 103 C SER A 7 11.753 -3.275 -3.894 1.00 0.00 C ATOM 104 O SER A 7 11.725 -2.063 -3.686 1.00 0.00 O ATOM 105 CB SER A 7 9.872 -4.924 -3.831 1.00 0.00 C ATOM 106 OG SER A 7 10.250 -6.242 -4.190 1.00 0.00 O ATOM 0 H SER A 7 9.807 -2.740 -2.112 1.00 0.00 H new ATOM 0 HA SER A 7 11.654 -4.996 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.947 -4.952 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.670 -4.343 -4.731 1.00 0.00 H new ATOM 0 HG SER A 7 9.610 -6.600 -4.840 1.00 0.00 H new ATOM 112 N LYS A 8 12.455 -3.826 -4.880 1.00 0.00 N ATOM 113 CA LYS A 8 13.251 -3.017 -5.797 1.00 0.00 C ATOM 114 C LYS A 8 12.367 -2.055 -6.584 1.00 0.00 C ATOM 115 O LYS A 8 12.695 -0.878 -6.737 1.00 0.00 O ATOM 116 CB LYS A 8 14.034 -3.915 -6.757 1.00 0.00 C ATOM 117 CG LYS A 8 13.174 -4.951 -7.466 1.00 0.00 C ATOM 118 CD LYS A 8 13.867 -6.301 -7.532 1.00 0.00 C ATOM 119 CE LYS A 8 13.544 -7.154 -6.317 1.00 0.00 C ATOM 120 NZ LYS A 8 14.602 -8.168 -6.051 1.00 0.00 N ATOM 0 H LYS A 8 12.489 -4.829 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 8 13.955 -2.431 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.526 -3.292 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.820 -4.427 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.223 -5.055 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.947 -4.608 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.560 -6.825 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.945 -6.155 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.429 -6.512 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.590 -7.657 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.343 -8.729 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.695 -8.797 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.508 -7.687 -5.879 1.00 0.00 H new ATOM 134 N LYS A 9 11.243 -2.562 -7.083 1.00 0.00 N ATOM 135 CA LYS A 9 10.313 -1.746 -7.854 1.00 0.00 C ATOM 136 C LYS A 9 9.743 -0.619 -6.997 1.00 0.00 C ATOM 137 O LYS A 9 9.432 0.460 -7.501 1.00 0.00 O ATOM 138 CB LYS A 9 9.176 -2.610 -8.404 1.00 0.00 C ATOM 139 CG LYS A 9 9.649 -3.723 -9.324 1.00 0.00 C ATOM 140 CD LYS A 9 8.624 -4.842 -9.416 1.00 0.00 C ATOM 141 CE LYS A 9 8.932 -5.788 -10.564 1.00 0.00 C ATOM 142 NZ LYS A 9 8.091 -5.505 -11.759 1.00 0.00 N ATOM 0 H LYS A 9 10.955 -3.534 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 9 10.859 -1.306 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.627 -3.048 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.477 -1.974 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.838 -3.319 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.594 -4.123 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.607 -5.399 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.630 -4.416 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.985 -5.702 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.769 -6.816 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.332 -6.172 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.087 -5.612 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.265 -4.532 -12.084 1.00 0.00 H new ATOM 156 N PHE A 10 9.610 -0.881 -5.702 1.00 0.00 N ATOM 157 CA PHE A 10 9.078 0.109 -4.772 1.00 0.00 C ATOM 158 C PHE A 10 10.045 1.278 -4.612 1.00 0.00 C ATOM 159 O PHE A 10 9.627 2.424 -4.446 1.00 0.00 O ATOM 160 CB PHE A 10 8.805 -0.542 -3.412 1.00 0.00 C ATOM 161 CG PHE A 10 8.396 0.433 -2.344 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.143 1.023 -2.367 1.00 0.00 C ATOM 163 CD2 PHE A 10 9.268 0.757 -1.317 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.768 1.921 -1.386 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.898 1.653 -0.333 1.00 0.00 C ATOM 166 CZ PHE A 10 7.646 2.236 -0.368 1.00 0.00 C ATOM 0 H PHE A 10 9.863 -1.771 -5.272 1.00 0.00 H new ATOM 0 HA PHE A 10 8.142 0.494 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.020 -1.289 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.701 -1.069 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.452 0.779 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.248 0.304 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.789 2.376 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.586 1.897 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.354 2.937 0.400 1.00 0.00 H new ATOM 176 N ASP A 11 11.340 0.979 -4.661 1.00 0.00 N ATOM 177 CA ASP A 11 12.365 2.007 -4.520 1.00 0.00 C ATOM 178 C ASP A 11 12.393 2.924 -5.740 1.00 0.00 C ATOM 179 O ASP A 11 12.736 4.102 -5.636 1.00 0.00 O ATOM 180 CB ASP A 11 13.739 1.361 -4.323 1.00 0.00 C ATOM 181 CG ASP A 11 13.915 0.794 -2.928 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.833 1.573 -1.955 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.136 -0.429 -2.808 1.00 0.00 O ATOM 0 H ASP A 11 11.703 0.036 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 11 12.122 2.608 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.872 0.565 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.516 2.101 -4.512 1.00 0.00 H new ATOM 188 N LYS A 12 12.033 2.375 -6.895 1.00 0.00 N ATOM 189 CA LYS A 12 12.019 3.143 -8.135 1.00 0.00 C ATOM 190 C LYS A 12 10.798 4.058 -8.206 1.00 0.00 C ATOM 191 O LYS A 12 10.790 5.037 -8.952 1.00 0.00 O ATOM 192 CB LYS A 12 12.035 2.201 -9.341 1.00 0.00 C ATOM 193 CG LYS A 12 13.403 1.600 -9.625 1.00 0.00 C ATOM 194 CD LYS A 12 13.392 0.085 -9.485 1.00 0.00 C ATOM 195 CE LYS A 12 13.397 -0.601 -10.841 1.00 0.00 C ATOM 196 NZ LYS A 12 12.314 -0.092 -11.727 1.00 0.00 N ATOM 0 H LYS A 12 11.747 1.401 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 12 12.913 3.766 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.321 1.395 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.697 2.746 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.717 1.870 -10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.136 2.024 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.262 -0.235 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.510 -0.223 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.362 -0.446 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.278 -1.676 -10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.116 -0.792 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.454 0.070 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.615 0.802 -12.165 1.00 0.00 H new ATOM 210 N ASP A 13 9.767 3.733 -7.431 1.00 0.00 N ATOM 211 CA ASP A 13 8.544 4.528 -7.414 1.00 0.00 C ATOM 212 C ASP A 13 8.645 5.668 -6.402 1.00 0.00 C ATOM 213 O ASP A 13 8.297 6.810 -6.702 1.00 0.00 O ATOM 214 CB ASP A 13 7.340 3.641 -7.089 1.00 0.00 C ATOM 215 CG ASP A 13 6.289 3.669 -8.181 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.669 3.666 -9.371 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.085 3.694 -7.847 1.00 0.00 O ATOM 0 H ASP A 13 9.754 2.926 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 13 8.409 4.962 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.678 2.615 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.893 3.969 -6.150 1.00 0.00 H new ATOM 222 N LEU A 14 9.118 5.348 -5.202 1.00 0.00 N ATOM 223 CA LEU A 14 9.258 6.342 -4.143 1.00 0.00 C ATOM 224 C LEU A 14 10.265 7.422 -4.533 1.00 0.00 C ATOM 225 O LEU A 14 10.079 8.598 -4.219 1.00 0.00 O ATOM 226 CB LEU A 14 9.689 5.672 -2.839 1.00 0.00 C ATOM 227 CG LEU A 14 8.982 6.184 -1.583 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.598 5.567 -1.461 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.812 5.883 -0.344 1.00 0.00 C ATOM 0 H LEU A 14 9.411 4.407 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 14 8.287 6.816 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.514 4.600 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.763 5.811 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 14 8.870 7.265 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.110 5.943 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.003 5.833 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.687 4.482 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.294 6.254 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.956 4.806 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.782 6.373 -0.428 1.00 0.00 H new ATOM 241 N LYS A 15 11.332 7.016 -5.213 1.00 0.00 N ATOM 242 CA LYS A 15 12.368 7.950 -5.639 1.00 0.00 C ATOM 243 C LYS A 15 11.787 9.063 -6.508 1.00 0.00 C ATOM 244 O LYS A 15 12.367 10.143 -6.619 1.00 0.00 O ATOM 245 CB LYS A 15 13.465 7.211 -6.408 1.00 0.00 C ATOM 246 CG LYS A 15 12.988 6.596 -7.712 1.00 0.00 C ATOM 247 CD LYS A 15 14.119 6.478 -8.721 1.00 0.00 C ATOM 248 CE LYS A 15 14.922 5.204 -8.512 1.00 0.00 C ATOM 249 NZ LYS A 15 16.385 5.439 -8.652 1.00 0.00 N ATOM 0 H LYS A 15 11.502 6.047 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 15 12.797 8.402 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.278 7.905 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.874 6.425 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.569 5.609 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.188 7.206 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.709 6.490 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.777 7.342 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.712 4.802 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.605 4.452 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.896 4.546 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.589 5.799 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.694 6.137 -7.946 1.00 0.00 H new ATOM 263 N ILE A 16 10.638 8.795 -7.124 1.00 0.00 N ATOM 264 CA ILE A 16 9.985 9.777 -7.980 1.00 0.00 C ATOM 265 C ILE A 16 9.096 10.716 -7.169 1.00 0.00 C ATOM 266 O ILE A 16 9.002 11.906 -7.468 1.00 0.00 O ATOM 267 CB ILE A 16 9.131 9.094 -9.066 1.00 0.00 C ATOM 268 CG1 ILE A 16 9.942 8.010 -9.779 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.621 10.124 -10.064 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.133 8.549 -10.542 1.00 0.00 C ATOM 0 H ILE A 16 10.142 7.907 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 16 10.777 10.354 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 16 8.272 8.622 -8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.290 7.285 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.290 7.475 -10.470 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.020 9.627 -10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.011 10.863 -9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.467 10.621 -10.538 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.661 7.725 -11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.791 9.252 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.806 9.059 -9.853 1.00 0.00 H new ATOM 282 N LEU A 17 8.448 10.172 -6.146 1.00 0.00 N ATOM 283 CA LEU A 17 7.565 10.962 -5.294 1.00 0.00 C ATOM 284 C LEU A 17 8.363 11.786 -4.288 1.00 0.00 C ATOM 285 O LEU A 17 7.987 12.910 -3.956 1.00 0.00 O ATOM 286 CB LEU A 17 6.581 10.050 -4.559 1.00 0.00 C ATOM 287 CG LEU A 17 5.449 9.490 -5.422 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.643 8.462 -4.642 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.548 10.614 -5.915 1.00 0.00 C ATOM 0 H LEU A 17 8.517 9.188 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 17 7.008 11.648 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.135 9.216 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.144 10.606 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 17 5.888 8.996 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.842 8.074 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.295 7.643 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.214 8.932 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.748 10.197 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.117 11.136 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.133 11.315 -6.510 1.00 0.00 H new ATOM 301 N VAL A 18 9.465 11.220 -3.807 1.00 0.00 N ATOM 302 CA VAL A 18 10.314 11.905 -2.838 1.00 0.00 C ATOM 303 C VAL A 18 10.814 13.237 -3.389 1.00 0.00 C ATOM 304 O VAL A 18 10.994 14.200 -2.645 1.00 0.00 O ATOM 305 CB VAL A 18 11.523 11.036 -2.435 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.404 10.747 -3.642 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.325 11.713 -1.332 1.00 0.00 C ATOM 0 H VAL A 18 9.791 10.290 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 18 9.702 12.090 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 18 11.149 10.086 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.251 10.133 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.824 10.215 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.769 11.686 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.174 11.085 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.686 12.679 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.690 11.861 -0.459 1.00 0.00 H new ATOM 317 N LYS A 19 11.036 13.282 -4.700 1.00 0.00 N ATOM 318 CA LYS A 19 11.513 14.496 -5.352 1.00 0.00 C ATOM 319 C LYS A 19 10.394 15.524 -5.474 1.00 0.00 C ATOM 320 O LYS A 19 10.640 16.730 -5.456 1.00 0.00 O ATOM 321 CB LYS A 19 12.073 14.167 -6.737 1.00 0.00 C ATOM 322 CG LYS A 19 13.170 15.117 -7.191 1.00 0.00 C ATOM 323 CD LYS A 19 13.469 14.955 -8.673 1.00 0.00 C ATOM 324 CE LYS A 19 12.252 15.279 -9.527 1.00 0.00 C ATOM 325 NZ LYS A 19 12.574 16.256 -10.603 1.00 0.00 N ATOM 0 H LYS A 19 10.893 12.493 -5.330 1.00 0.00 H new ATOM 0 HA LYS A 19 12.306 14.922 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.465 13.150 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.260 14.190 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.869 16.145 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.076 14.931 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.295 15.609 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.791 13.933 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.866 14.362 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.462 15.683 -8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.719 16.451 -11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.918 17.140 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.310 15.861 -11.222 1.00 0.00 H new ATOM 339 N ASN A 20 9.162 15.037 -5.599 1.00 0.00 N ATOM 340 CA ASN A 20 8.004 15.916 -5.724 1.00 0.00 C ATOM 341 C ASN A 20 7.246 16.007 -4.403 1.00 0.00 C ATOM 342 O ASN A 20 6.029 16.201 -4.387 1.00 0.00 O ATOM 343 CB ASN A 20 7.074 15.411 -6.831 1.00 0.00 C ATOM 344 CG ASN A 20 6.889 16.429 -7.940 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.793 16.951 -8.142 1.00 0.00 O ATOM 346 ND2 ASN A 20 7.964 16.716 -8.664 1.00 0.00 N ATOM 0 H ASN A 20 8.941 14.041 -5.616 1.00 0.00 H new ATOM 0 HA ASN A 20 8.359 16.913 -5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.480 14.490 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.103 15.165 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.901 17.394 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.853 16.259 -8.461 1.00 0.00 H new ATOM 353 N GLY A 21 7.970 15.866 -3.298 1.00 0.00 N ATOM 354 CA GLY A 21 7.347 15.937 -1.989 1.00 0.00 C ATOM 355 C GLY A 21 6.826 14.592 -1.519 1.00 0.00 C ATOM 356 O GLY A 21 5.690 14.222 -1.818 1.00 0.00 O ATOM 0 H GLY A 21 8.977 15.704 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.070 16.315 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.524 16.651 -2.020 1.00 0.00 H new ATOM 360 N PHE A 22 7.655 13.863 -0.780 1.00 0.00 N ATOM 361 CA PHE A 22 7.271 12.553 -0.266 1.00 0.00 C ATOM 362 C PHE A 22 8.373 11.970 0.613 1.00 0.00 C ATOM 363 O PHE A 22 9.310 11.344 0.117 1.00 0.00 O ATOM 364 CB PHE A 22 6.965 11.598 -1.422 1.00 0.00 C ATOM 365 CG PHE A 22 6.234 10.355 -0.995 1.00 0.00 C ATOM 366 CD1 PHE A 22 6.882 9.372 -0.265 1.00 0.00 C ATOM 367 CD2 PHE A 22 4.900 10.173 -1.323 1.00 0.00 C ATOM 368 CE1 PHE A 22 6.213 8.228 0.129 1.00 0.00 C ATOM 369 CE2 PHE A 22 4.225 9.032 -0.932 1.00 0.00 C ATOM 370 CZ PHE A 22 4.883 8.059 -0.204 1.00 0.00 C ATOM 0 H PHE A 22 8.597 14.157 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 22 6.374 12.676 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.368 12.123 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.900 11.313 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.921 9.501 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.382 10.932 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.729 7.468 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.186 8.901 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.358 7.167 0.104 1.00 0.00 H new ATOM 380 N ASP A 23 8.253 12.178 1.919 1.00 0.00 N ATOM 381 CA ASP A 23 9.239 11.672 2.867 1.00 0.00 C ATOM 382 C ASP A 23 9.230 10.147 2.899 1.00 0.00 C ATOM 383 O ASP A 23 8.471 9.506 2.172 1.00 0.00 O ATOM 384 CB ASP A 23 8.962 12.226 4.266 1.00 0.00 C ATOM 385 CG ASP A 23 10.232 12.621 4.994 1.00 0.00 C ATOM 386 OD1 ASP A 23 10.724 13.746 4.763 1.00 0.00 O ATOM 387 OD2 ASP A 23 10.736 11.805 5.795 1.00 0.00 O ATOM 0 H ASP A 23 7.483 12.693 2.346 1.00 0.00 H new ATOM 0 HA ASP A 23 10.225 12.004 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.307 13.094 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.429 11.477 4.851 1.00 0.00 H new ATOM 392 N LEU A 24 10.079 9.574 3.746 1.00 0.00 N ATOM 393 CA LEU A 24 10.168 8.123 3.872 1.00 0.00 C ATOM 394 C LEU A 24 9.568 7.655 5.194 1.00 0.00 C ATOM 395 O LEU A 24 9.014 6.559 5.283 1.00 0.00 O ATOM 396 CB LEU A 24 11.627 7.670 3.775 1.00 0.00 C ATOM 397 CG LEU A 24 12.144 7.454 2.352 1.00 0.00 C ATOM 398 CD1 LEU A 24 12.104 8.756 1.566 1.00 0.00 C ATOM 399 CD2 LEU A 24 13.557 6.889 2.380 1.00 0.00 C ATOM 0 H LEU A 24 10.714 10.091 4.354 1.00 0.00 H new ATOM 0 HA LEU A 24 9.600 7.677 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.256 8.414 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.741 6.740 4.332 1.00 0.00 H new ATOM 0 HG LEU A 24 11.495 6.734 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.476 8.583 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.078 9.120 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.730 9.499 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.910 6.741 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.218 7.586 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.557 5.934 2.906 1.00 0.00 H new ATOM 411 N LYS A 25 9.680 8.494 6.218 1.00 0.00 N ATOM 412 CA LYS A 25 9.147 8.167 7.537 1.00 0.00 C ATOM 413 C LYS A 25 7.621 8.188 7.532 1.00 0.00 C ATOM 414 O LYS A 25 6.979 7.515 8.338 1.00 0.00 O ATOM 415 CB LYS A 25 9.680 9.151 8.582 1.00 0.00 C ATOM 416 CG LYS A 25 10.120 8.486 9.876 1.00 0.00 C ATOM 417 CD LYS A 25 11.147 9.328 10.614 1.00 0.00 C ATOM 418 CE LYS A 25 10.490 10.465 11.381 1.00 0.00 C ATOM 419 NZ LYS A 25 10.454 10.199 12.846 1.00 0.00 N ATOM 0 H LYS A 25 10.135 9.405 6.161 1.00 0.00 H new ATOM 0 HA LYS A 25 9.475 7.160 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.524 9.696 8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.906 9.885 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.253 8.324 10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.542 7.505 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.707 8.698 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.864 9.735 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.033 11.391 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.474 10.611 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.999 10.997 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.914 9.329 13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.424 10.085 13.202 1.00 0.00 H new ATOM 433 N LEU A 26 7.044 8.966 6.620 1.00 0.00 N ATOM 434 CA LEU A 26 5.593 9.073 6.512 1.00 0.00 C ATOM 435 C LEU A 26 4.955 7.704 6.299 1.00 0.00 C ATOM 436 O LEU A 26 3.886 7.416 6.840 1.00 0.00 O ATOM 437 CB LEU A 26 5.215 10.010 5.362 1.00 0.00 C ATOM 438 CG LEU A 26 5.553 9.489 3.963 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.387 8.696 3.393 1.00 0.00 C ATOM 440 CD2 LEU A 26 5.918 10.641 3.041 1.00 0.00 C ATOM 0 H LEU A 26 7.560 9.531 5.945 1.00 0.00 H new ATOM 0 HA LEU A 26 5.216 9.484 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.144 10.206 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.721 10.964 5.510 1.00 0.00 H new ATOM 0 HG LEU A 26 6.414 8.825 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.645 8.333 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.171 7.848 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.508 9.337 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.156 10.253 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.076 11.330 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.784 11.167 3.442 1.00 0.00 H new ATOM 452 N LEU A 27 5.616 6.863 5.509 1.00 0.00 N ATOM 453 CA LEU A 27 5.110 5.524 5.226 1.00 0.00 C ATOM 454 C LEU A 27 5.061 4.680 6.497 1.00 0.00 C ATOM 455 O LEU A 27 4.142 3.885 6.690 1.00 0.00 O ATOM 456 CB LEU A 27 5.984 4.838 4.176 1.00 0.00 C ATOM 457 CG LEU A 27 5.394 3.560 3.577 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.604 3.526 2.071 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.008 2.329 4.229 1.00 0.00 C ATOM 0 H LEU A 27 6.502 7.085 5.054 1.00 0.00 H new ATOM 0 HA LEU A 27 4.096 5.620 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.177 5.544 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.947 4.599 4.627 1.00 0.00 H new ATOM 0 HG LEU A 27 4.322 3.555 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.177 2.609 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.114 4.387 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.671 3.558 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.575 1.430 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.086 2.330 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.803 2.344 5.299 1.00 0.00 H new ATOM 471 N TYR A 28 6.057 4.858 7.358 1.00 0.00 N ATOM 472 CA TYR A 28 6.127 4.112 8.609 1.00 0.00 C ATOM 473 C TYR A 28 4.897 4.375 9.473 1.00 0.00 C ATOM 474 O TYR A 28 4.504 3.534 10.281 1.00 0.00 O ATOM 475 CB TYR A 28 7.398 4.486 9.377 1.00 0.00 C ATOM 476 CG TYR A 28 8.356 3.331 9.562 1.00 0.00 C ATOM 477 CD1 TYR A 28 9.305 3.029 8.592 1.00 0.00 C ATOM 478 CD2 TYR A 28 8.312 2.543 10.704 1.00 0.00 C ATOM 479 CE1 TYR A 28 10.183 1.976 8.757 1.00 0.00 C ATOM 480 CE2 TYR A 28 9.186 1.487 10.877 1.00 0.00 C ATOM 481 CZ TYR A 28 10.120 1.208 9.900 1.00 0.00 C ATOM 482 OH TYR A 28 10.992 0.157 10.069 1.00 0.00 O ATOM 0 H TYR A 28 6.826 5.512 7.213 1.00 0.00 H new ATOM 0 HA TYR A 28 6.155 3.049 8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.909 5.290 8.847 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.119 4.876 10.356 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.356 3.628 7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.582 2.759 11.470 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.915 1.755 7.994 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.139 0.884 11.771 1.00 0.00 H new ATOM 0 HH TYR A 28 10.815 -0.280 10.928 1.00 0.00 H new ATOM 492 N LYS A 29 4.291 5.545 9.297 1.00 0.00 N ATOM 493 CA LYS A 29 3.105 5.915 10.062 1.00 0.00 C ATOM 494 C LYS A 29 1.838 5.401 9.384 1.00 0.00 C ATOM 495 O LYS A 29 0.855 5.077 10.049 1.00 0.00 O ATOM 496 CB LYS A 29 3.034 7.436 10.225 1.00 0.00 C ATOM 497 CG LYS A 29 3.250 7.903 11.656 1.00 0.00 C ATOM 498 CD LYS A 29 2.766 9.330 11.855 1.00 0.00 C ATOM 499 CE LYS A 29 1.249 9.402 11.897 1.00 0.00 C ATOM 500 NZ LYS A 29 0.747 10.762 11.554 1.00 0.00 N ATOM 0 H LYS A 29 4.601 6.253 8.632 1.00 0.00 H new ATOM 0 HA LYS A 29 3.178 5.455 11.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.784 7.898 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.061 7.785 9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.721 7.239 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.309 7.839 11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.176 9.728 12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.139 9.958 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.832 8.675 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.900 9.127 12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.292 10.769 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.124 11.453 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.058 11.015 10.594 1.00 0.00 H new ATOM 514 N VAL A 30 1.869 5.331 8.057 1.00 0.00 N ATOM 515 CA VAL A 30 0.721 4.858 7.291 1.00 0.00 C ATOM 516 C VAL A 30 0.456 3.376 7.545 1.00 0.00 C ATOM 517 O VAL A 30 -0.654 2.890 7.331 1.00 0.00 O ATOM 518 CB VAL A 30 0.924 5.079 5.781 1.00 0.00 C ATOM 519 CG1 VAL A 30 -0.346 4.739 5.014 1.00 0.00 C ATOM 520 CG2 VAL A 30 1.357 6.512 5.504 1.00 0.00 C ATOM 0 H VAL A 30 2.675 5.595 7.490 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.139 5.438 7.625 1.00 0.00 H new ATOM 0 HB VAL A 30 1.715 4.412 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.182 4.902 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.606 3.695 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.160 5.377 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.496 6.649 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.590 7.199 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.295 6.715 6.020 1.00 0.00 H new ATOM 530 N VAL A 31 1.482 2.662 8.004 1.00 0.00 N ATOM 531 CA VAL A 31 1.357 1.234 8.286 1.00 0.00 C ATOM 532 C VAL A 31 0.133 0.945 9.155 1.00 0.00 C ATOM 533 O VAL A 31 -0.459 -0.131 9.072 1.00 0.00 O ATOM 534 CB VAL A 31 2.616 0.690 8.988 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.821 1.370 10.333 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.526 -0.821 9.154 1.00 0.00 C ATOM 0 H VAL A 31 2.408 3.049 8.188 1.00 0.00 H new ATOM 0 HA VAL A 31 1.239 0.731 7.326 1.00 0.00 H new ATOM 0 HB VAL A 31 3.480 0.914 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.716 0.970 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.938 2.443 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.956 1.185 10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.424 -1.187 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.651 -1.070 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.438 -1.290 8.174 1.00 0.00 H new ATOM 546 N GLY A 32 -0.240 1.914 9.984 1.00 0.00 N ATOM 547 CA GLY A 32 -1.390 1.744 10.852 1.00 0.00 C ATOM 548 C GLY A 32 -2.699 1.763 10.089 1.00 0.00 C ATOM 549 O GLY A 32 -3.619 1.008 10.400 1.00 0.00 O ATOM 0 H GLY A 32 0.233 2.813 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.300 0.800 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.397 2.537 11.600 1.00 0.00 H new ATOM 553 N ASN A 33 -2.782 2.630 9.084 1.00 0.00 N ATOM 554 CA ASN A 33 -3.987 2.746 8.271 1.00 0.00 C ATOM 555 C ASN A 33 -4.047 1.637 7.225 1.00 0.00 C ATOM 556 O ASN A 33 -5.126 1.252 6.776 1.00 0.00 O ATOM 557 CB ASN A 33 -4.036 4.114 7.587 1.00 0.00 C ATOM 558 CG ASN A 33 -4.932 5.094 8.319 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.993 4.726 8.825 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.509 6.351 8.380 1.00 0.00 N ATOM 0 H ASN A 33 -2.029 3.262 8.814 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.850 2.646 8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.028 4.523 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.393 3.993 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.070 7.055 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.623 6.613 7.947 1.00 0.00 H new ATOM 567 N LEU A 34 -2.882 1.125 6.838 1.00 0.00 N ATOM 568 CA LEU A 34 -2.807 0.062 5.843 1.00 0.00 C ATOM 569 C LEU A 34 -3.264 -1.270 6.432 1.00 0.00 C ATOM 570 O LEU A 34 -3.776 -2.132 5.718 1.00 0.00 O ATOM 571 CB LEU A 34 -1.378 -0.068 5.311 1.00 0.00 C ATOM 572 CG LEU A 34 -0.841 1.168 4.589 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.552 0.901 4.039 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.787 1.582 3.471 1.00 0.00 C ATOM 0 H LEU A 34 -1.978 1.430 7.199 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.473 0.323 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.716 -0.299 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.337 -0.916 4.627 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.775 1.986 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.918 1.792 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.225 0.650 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.512 0.070 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.391 2.463 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.883 0.766 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.766 1.813 3.890 1.00 0.00 H new ATOM 586 N ALA A 35 -3.073 -1.432 7.738 1.00 0.00 N ATOM 587 CA ALA A 35 -3.464 -2.660 8.421 1.00 0.00 C ATOM 588 C ALA A 35 -4.962 -2.682 8.704 1.00 0.00 C ATOM 589 O ALA A 35 -5.578 -3.748 8.753 1.00 0.00 O ATOM 590 CB ALA A 35 -2.679 -2.815 9.715 1.00 0.00 C ATOM 0 H ALA A 35 -2.650 -0.729 8.344 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.234 -3.499 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.980 -3.735 10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.613 -2.856 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.881 -1.965 10.367 1.00 0.00 H new ATOM 596 N THR A 36 -5.545 -1.503 8.890 1.00 0.00 N ATOM 597 CA THR A 36 -6.973 -1.392 9.169 1.00 0.00 C ATOM 598 C THR A 36 -7.759 -1.105 7.895 1.00 0.00 C ATOM 599 O THR A 36 -8.853 -1.633 7.696 1.00 0.00 O ATOM 600 CB THR A 36 -7.229 -0.291 10.199 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.587 0.912 9.816 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.745 -0.646 11.589 1.00 0.00 C ATOM 0 H THR A 36 -5.052 -0.611 8.853 1.00 0.00 H new ATOM 0 HA THR A 36 -7.312 -2.346 9.574 1.00 0.00 H new ATOM 0 HB THR A 36 -8.312 -0.170 10.229 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.638 0.867 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.958 0.178 12.270 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.258 -1.544 11.935 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.671 -0.828 11.565 1.00 0.00 H new ATOM 610 N GLU A 37 -7.192 -0.268 7.033 1.00 0.00 N ATOM 611 CA GLU A 37 -7.838 0.089 5.774 1.00 0.00 C ATOM 612 C GLU A 37 -9.180 0.773 6.028 1.00 0.00 C ATOM 613 O GLU A 37 -10.239 0.185 5.812 1.00 0.00 O ATOM 614 CB GLU A 37 -8.042 -1.159 4.911 1.00 0.00 C ATOM 615 CG GLU A 37 -6.767 -1.946 4.668 1.00 0.00 C ATOM 616 CD GLU A 37 -7.034 -3.392 4.299 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.779 -3.628 3.326 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.500 -4.289 4.988 1.00 0.00 O ATOM 0 H GLU A 37 -6.286 0.176 7.183 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.189 0.786 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.773 -1.808 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.464 -0.861 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.198 -1.470 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.148 -1.912 5.564 1.00 0.00 H new ATOM 625 N GLN A 38 -9.125 2.018 6.496 1.00 0.00 N ATOM 626 CA GLN A 38 -10.338 2.776 6.788 1.00 0.00 C ATOM 627 C GLN A 38 -10.676 3.757 5.661 1.00 0.00 C ATOM 628 O GLN A 38 -11.789 3.743 5.136 1.00 0.00 O ATOM 629 CB GLN A 38 -10.202 3.535 8.115 1.00 0.00 C ATOM 630 CG GLN A 38 -9.056 3.056 8.992 1.00 0.00 C ATOM 631 CD GLN A 38 -9.120 3.621 10.397 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.025 4.832 10.597 1.00 0.00 O ATOM 633 NE2 GLN A 38 -9.283 2.743 11.380 1.00 0.00 N ATOM 0 H GLN A 38 -8.257 2.521 6.680 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.154 2.058 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.063 4.595 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.134 3.441 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.072 1.967 9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.109 3.340 8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.357 1.748 11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.334 3.064 12.347 1.00 0.00 H new ATOM 642 N PRO A 39 -9.727 4.632 5.277 1.00 0.00 N ATOM 643 CA PRO A 39 -9.953 5.614 4.223 1.00 0.00 C ATOM 644 C PRO A 39 -9.731 5.050 2.820 1.00 0.00 C ATOM 645 O PRO A 39 -10.689 4.719 2.120 1.00 0.00 O ATOM 646 CB PRO A 39 -8.936 6.713 4.543 1.00 0.00 C ATOM 647 CG PRO A 39 -7.838 6.047 5.314 1.00 0.00 C ATOM 648 CD PRO A 39 -8.372 4.738 5.848 1.00 0.00 C ATOM 0 HA PRO A 39 -10.986 5.962 4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.552 7.167 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.395 7.511 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.973 5.873 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.505 6.685 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.746 3.900 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.399 4.735 6.938 1.00 0.00 H new ATOM 656 N LEU A 40 -8.469 4.945 2.407 1.00 0.00 N ATOM 657 CA LEU A 40 -8.130 4.423 1.086 1.00 0.00 C ATOM 658 C LEU A 40 -8.996 5.054 -0.003 1.00 0.00 C ATOM 659 O LEU A 40 -9.439 4.375 -0.930 1.00 0.00 O ATOM 660 CB LEU A 40 -8.282 2.901 1.059 1.00 0.00 C ATOM 661 CG LEU A 40 -7.482 2.142 2.124 1.00 0.00 C ATOM 662 CD1 LEU A 40 -6.115 2.776 2.334 1.00 0.00 C ATOM 663 CD2 LEU A 40 -8.257 2.089 3.434 1.00 0.00 C ATOM 0 H LEU A 40 -7.663 5.216 2.971 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.091 4.683 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.337 2.656 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.980 2.540 0.076 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.328 1.122 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.568 2.218 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.557 2.756 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.239 3.809 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.675 1.547 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.444 3.103 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.207 1.579 3.274 1.00 0.00 H new ATOM 675 N ALA A 41 -9.230 6.358 0.115 1.00 0.00 N ATOM 676 CA ALA A 41 -10.039 7.083 -0.859 1.00 0.00 C ATOM 677 C ALA A 41 -11.478 6.566 -0.879 1.00 0.00 C ATOM 678 O ALA A 41 -11.709 5.365 -1.022 1.00 0.00 O ATOM 679 CB ALA A 41 -9.420 6.971 -2.245 1.00 0.00 C ATOM 0 H ALA A 41 -8.870 6.934 0.876 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.062 8.132 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.033 7.516 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.416 7.394 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.367 5.922 -2.536 1.00 0.00 H new ATOM 685 N PRO A 42 -12.472 7.462 -0.735 1.00 0.00 N ATOM 686 CA PRO A 42 -13.888 7.076 -0.738 1.00 0.00 C ATOM 687 C PRO A 42 -14.319 6.453 -2.064 1.00 0.00 C ATOM 688 O PRO A 42 -15.271 5.675 -2.114 1.00 0.00 O ATOM 689 CB PRO A 42 -14.634 8.398 -0.511 1.00 0.00 C ATOM 690 CG PRO A 42 -13.614 9.337 0.034 1.00 0.00 C ATOM 691 CD PRO A 42 -12.301 8.914 -0.556 1.00 0.00 C ATOM 0 HA PRO A 42 -14.095 6.320 0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.058 8.775 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.461 8.268 0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.849 10.367 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.585 9.291 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.103 9.417 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.467 9.144 0.108 1.00 0.00 H new ATOM 699 N LYS A 43 -13.616 6.804 -3.137 1.00 0.00 N ATOM 700 CA LYS A 43 -13.932 6.284 -4.462 1.00 0.00 C ATOM 701 C LYS A 43 -13.455 4.844 -4.621 1.00 0.00 C ATOM 702 O LYS A 43 -14.058 4.059 -5.353 1.00 0.00 O ATOM 703 CB LYS A 43 -13.300 7.164 -5.543 1.00 0.00 C ATOM 704 CG LYS A 43 -11.785 7.267 -5.435 1.00 0.00 C ATOM 705 CD LYS A 43 -11.352 8.629 -4.919 1.00 0.00 C ATOM 706 CE LYS A 43 -10.996 9.570 -6.058 1.00 0.00 C ATOM 707 NZ LYS A 43 -12.198 9.983 -6.834 1.00 0.00 N ATOM 0 H LYS A 43 -12.824 7.446 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.016 6.298 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.560 6.764 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.729 8.164 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.414 6.490 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.337 7.088 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.154 9.065 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.492 8.513 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.501 10.455 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.285 9.081 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.917 10.651 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.637 9.145 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.881 10.442 -6.198 1.00 0.00 H new ATOM 721 N TYR A 44 -12.369 4.502 -3.936 1.00 0.00 N ATOM 722 CA TYR A 44 -11.814 3.154 -4.011 1.00 0.00 C ATOM 723 C TYR A 44 -12.060 2.387 -2.715 1.00 0.00 C ATOM 724 O TYR A 44 -12.748 1.367 -2.709 1.00 0.00 O ATOM 725 CB TYR A 44 -10.314 3.216 -4.304 1.00 0.00 C ATOM 726 CG TYR A 44 -9.969 4.061 -5.511 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.429 3.718 -6.776 1.00 0.00 C ATOM 728 CD2 TYR A 44 -9.184 5.200 -5.384 1.00 0.00 C ATOM 729 CE1 TYR A 44 -10.117 4.488 -7.880 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.868 5.975 -6.484 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.337 5.614 -7.729 1.00 0.00 C ATOM 732 OH TYR A 44 -9.024 6.383 -8.827 1.00 0.00 O ATOM 0 H TYR A 44 -11.856 5.137 -3.324 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.316 2.626 -4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.798 3.616 -3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.940 2.204 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.040 2.836 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.815 5.485 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.483 4.209 -8.857 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.257 6.858 -6.369 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.468 7.140 -8.548 1.00 0.00 H new ATOM 742 N LYS A 45 -11.494 2.885 -1.622 1.00 0.00 N ATOM 743 CA LYS A 45 -11.653 2.247 -0.319 1.00 0.00 C ATOM 744 C LYS A 45 -11.027 0.855 -0.317 1.00 0.00 C ATOM 745 O LYS A 45 -11.490 -0.044 0.382 1.00 0.00 O ATOM 746 CB LYS A 45 -13.135 2.156 0.054 1.00 0.00 C ATOM 747 CG LYS A 45 -13.614 3.310 0.920 1.00 0.00 C ATOM 748 CD LYS A 45 -15.019 3.749 0.537 1.00 0.00 C ATOM 749 CE LYS A 45 -15.579 4.752 1.532 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.682 5.562 0.944 1.00 0.00 N ATOM 0 H LYS A 45 -10.921 3.729 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.139 2.859 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.730 2.126 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.312 1.219 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.598 3.011 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.928 4.151 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.004 4.192 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.673 2.878 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.946 4.224 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.781 5.415 1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.741 6.477 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.494 5.723 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.582 5.053 1.052 1.00 0.00 H new ATOM 764 N ASP A 46 -9.969 0.688 -1.104 1.00 0.00 N ATOM 765 CA ASP A 46 -9.276 -0.593 -1.193 1.00 0.00 C ATOM 766 C ASP A 46 -10.217 -1.689 -1.681 1.00 0.00 C ATOM 767 O ASP A 46 -11.438 -1.548 -1.617 1.00 0.00 O ATOM 768 CB ASP A 46 -8.691 -0.974 0.167 1.00 0.00 C ATOM 769 CG ASP A 46 -7.901 -2.267 0.116 1.00 0.00 C ATOM 770 OD1 ASP A 46 -6.716 -2.224 -0.277 1.00 0.00 O ATOM 771 OD2 ASP A 46 -8.468 -3.324 0.468 1.00 0.00 O ATOM 0 H ASP A 46 -9.573 1.423 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.465 -0.490 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.044 -0.170 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.499 -1.074 0.892 1.00 0.00 H new ATOM 776 N HIS A 47 -9.639 -2.782 -2.171 1.00 0.00 N ATOM 777 CA HIS A 47 -10.424 -3.904 -2.671 1.00 0.00 C ATOM 778 C HIS A 47 -9.526 -5.102 -2.971 1.00 0.00 C ATOM 779 O HIS A 47 -8.313 -4.958 -3.119 1.00 0.00 O ATOM 780 CB HIS A 47 -11.191 -3.496 -3.930 1.00 0.00 C ATOM 781 CG HIS A 47 -12.643 -3.217 -3.682 1.00 0.00 C ATOM 782 ND1 HIS A 47 -13.391 -3.901 -2.746 1.00 0.00 N ATOM 783 CD2 HIS A 47 -13.482 -2.321 -4.252 1.00 0.00 C ATOM 784 CE1 HIS A 47 -14.629 -3.439 -2.754 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.710 -2.480 -3.657 1.00 0.00 N ATOM 0 H HIS A 47 -8.629 -2.914 -2.232 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.138 -4.191 -1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.726 -2.607 -4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.103 -4.289 -4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.233 -1.614 -5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.437 -3.787 -2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.549 -1.943 -3.878 1.00 0.00 H new ATOM 794 N PRO A 48 -10.114 -6.307 -3.064 1.00 0.00 N ATOM 795 CA PRO A 48 -9.360 -7.534 -3.350 1.00 0.00 C ATOM 796 C PRO A 48 -8.828 -7.567 -4.778 1.00 0.00 C ATOM 797 O PRO A 48 -9.308 -6.840 -5.647 1.00 0.00 O ATOM 798 CB PRO A 48 -10.392 -8.644 -3.137 1.00 0.00 C ATOM 799 CG PRO A 48 -11.708 -7.988 -3.375 1.00 0.00 C ATOM 800 CD PRO A 48 -11.556 -6.570 -2.902 1.00 0.00 C ATOM 0 HA PRO A 48 -8.478 -7.627 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.232 -9.472 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.330 -9.054 -2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.975 -8.020 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.502 -8.498 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.159 -5.882 -3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.871 -6.457 -1.865 1.00 0.00 H new ATOM 808 N LEU A 49 -7.831 -8.414 -5.012 1.00 0.00 N ATOM 809 CA LEU A 49 -7.233 -8.543 -6.336 1.00 0.00 C ATOM 810 C LEU A 49 -7.652 -9.855 -6.995 1.00 0.00 C ATOM 811 O LEU A 49 -8.071 -9.872 -8.152 1.00 0.00 O ATOM 812 CB LEU A 49 -5.707 -8.468 -6.236 1.00 0.00 C ATOM 813 CG LEU A 49 -5.056 -7.372 -7.082 1.00 0.00 C ATOM 814 CD1 LEU A 49 -3.639 -7.100 -6.603 1.00 0.00 C ATOM 815 CD2 LEU A 49 -5.058 -7.762 -8.553 1.00 0.00 C ATOM 0 H LEU A 49 -7.420 -9.021 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.589 -7.719 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.434 -8.311 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.291 -9.431 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.638 -6.457 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.191 -6.318 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.663 -6.776 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.046 -8.011 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.591 -6.971 -9.140 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.500 -8.689 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.085 -7.906 -8.890 1.00 0.00 H new ATOM 827 N LYS A 50 -7.533 -10.949 -6.251 1.00 0.00 N ATOM 828 CA LYS A 50 -7.899 -12.264 -6.762 1.00 0.00 C ATOM 829 C LYS A 50 -7.059 -12.628 -7.981 1.00 0.00 C ATOM 830 O LYS A 50 -6.132 -11.906 -8.346 1.00 0.00 O ATOM 831 CB LYS A 50 -9.388 -12.297 -7.121 1.00 0.00 C ATOM 832 CG LYS A 50 -10.251 -12.981 -6.075 1.00 0.00 C ATOM 833 CD LYS A 50 -10.247 -14.491 -6.249 1.00 0.00 C ATOM 834 CE LYS A 50 -11.300 -14.938 -7.252 1.00 0.00 C ATOM 835 NZ LYS A 50 -10.760 -14.991 -8.638 1.00 0.00 N ATOM 0 H LYS A 50 -7.186 -10.951 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.705 -12.998 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.742 -11.276 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.512 -12.811 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.887 -12.728 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.273 -12.608 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.262 -14.817 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.432 -14.970 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.675 -15.922 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.147 -14.253 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.325 -15.654 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.805 -14.044 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.771 -15.312 -8.613 1.00 0.00 H new ATOM 849 N GLY A 51 -7.386 -13.755 -8.605 1.00 0.00 N ATOM 850 CA GLY A 51 -6.651 -14.196 -9.775 1.00 0.00 C ATOM 851 C GLY A 51 -5.364 -14.913 -9.415 1.00 0.00 C ATOM 852 O GLY A 51 -4.304 -14.610 -9.961 1.00 0.00 O ATOM 0 H GLY A 51 -8.148 -14.371 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.280 -14.861 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.420 -13.334 -10.402 1.00 0.00 H new ATOM 856 N GLY A 52 -5.459 -15.864 -8.493 1.00 0.00 N ATOM 857 CA GLY A 52 -4.287 -16.611 -8.074 1.00 0.00 C ATOM 858 C GLY A 52 -3.424 -15.837 -7.099 1.00 0.00 C ATOM 859 O GLY A 52 -2.211 -16.038 -7.036 1.00 0.00 O ATOM 0 H GLY A 52 -6.326 -16.131 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.602 -17.546 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.694 -16.873 -8.951 1.00 0.00 H new ATOM 863 N LEU A 53 -4.050 -14.948 -6.335 1.00 0.00 N ATOM 864 CA LEU A 53 -3.330 -14.140 -5.356 1.00 0.00 C ATOM 865 C LEU A 53 -4.295 -13.274 -4.550 1.00 0.00 C ATOM 866 O LEU A 53 -4.627 -12.159 -4.950 1.00 0.00 O ATOM 867 CB LEU A 53 -2.297 -13.256 -6.056 1.00 0.00 C ATOM 868 CG LEU A 53 -2.764 -12.633 -7.376 1.00 0.00 C ATOM 869 CD1 LEU A 53 -2.791 -11.115 -7.275 1.00 0.00 C ATOM 870 CD2 LEU A 53 -1.867 -13.076 -8.523 1.00 0.00 C ATOM 0 H LEU A 53 -5.053 -14.768 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.817 -14.815 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.007 -12.455 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.404 -13.850 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.777 -12.980 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.125 -10.693 -8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.477 -10.815 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.790 -10.748 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.214 -12.624 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.842 -12.760 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.901 -14.162 -8.613 1.00 0.00 H new ATOM 882 N LYS A 54 -4.740 -13.799 -3.413 1.00 0.00 N ATOM 883 CA LYS A 54 -5.666 -13.074 -2.548 1.00 0.00 C ATOM 884 C LYS A 54 -4.913 -12.164 -1.582 1.00 0.00 C ATOM 885 O LYS A 54 -5.441 -11.145 -1.137 1.00 0.00 O ATOM 886 CB LYS A 54 -6.538 -14.057 -1.763 1.00 0.00 C ATOM 887 CG LYS A 54 -7.454 -14.893 -2.642 1.00 0.00 C ATOM 888 CD LYS A 54 -8.298 -15.850 -1.814 1.00 0.00 C ATOM 889 CE LYS A 54 -8.451 -17.198 -2.500 1.00 0.00 C ATOM 890 NZ LYS A 54 -8.346 -18.326 -1.534 1.00 0.00 N ATOM 0 H LYS A 54 -4.475 -14.722 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.303 -12.455 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.894 -14.722 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.143 -13.501 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.106 -14.237 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.857 -15.458 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.838 -15.989 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.282 -15.414 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.416 -17.241 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.684 -17.304 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.456 -19.228 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.416 -18.300 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.093 -18.239 -0.816 1.00 0.00 H new ATOM 904 N ASP A 55 -3.679 -12.537 -1.260 1.00 0.00 N ATOM 905 CA ASP A 55 -2.857 -11.754 -0.346 1.00 0.00 C ATOM 906 C ASP A 55 -2.558 -10.376 -0.928 1.00 0.00 C ATOM 907 O ASP A 55 -2.611 -9.369 -0.225 1.00 0.00 O ATOM 908 CB ASP A 55 -1.549 -12.488 -0.044 1.00 0.00 C ATOM 909 CG ASP A 55 -1.777 -13.800 0.680 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.470 -13.793 1.719 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.262 -14.836 0.207 1.00 0.00 O ATOM 0 H ASP A 55 -3.226 -13.378 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.414 -11.624 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.019 -12.678 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.908 -11.848 0.562 1.00 0.00 H new ATOM 916 N PHE A 56 -2.247 -10.341 -2.220 1.00 0.00 N ATOM 917 CA PHE A 56 -1.943 -9.088 -2.900 1.00 0.00 C ATOM 918 C PHE A 56 -3.134 -8.138 -2.844 1.00 0.00 C ATOM 919 O PHE A 56 -4.276 -8.567 -2.692 1.00 0.00 O ATOM 920 CB PHE A 56 -1.555 -9.355 -4.354 1.00 0.00 C ATOM 921 CG PHE A 56 -0.093 -9.642 -4.544 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.445 -10.859 -4.155 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.744 -8.695 -5.112 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.789 -11.125 -4.328 1.00 0.00 C ATOM 925 CE2 PHE A 56 2.091 -8.956 -5.287 1.00 0.00 C ATOM 926 CZ PHE A 56 2.612 -10.173 -4.895 1.00 0.00 C ATOM 0 H PHE A 56 -2.199 -11.167 -2.817 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.103 -8.619 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.134 -10.200 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.828 -8.490 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.194 -11.608 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.340 -7.742 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.196 -12.077 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.734 -8.209 -5.729 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.663 -10.380 -5.032 1.00 0.00 H new ATOM 936 N ARG A 57 -2.859 -6.843 -2.971 1.00 0.00 N ATOM 937 CA ARG A 57 -3.910 -5.832 -2.935 1.00 0.00 C ATOM 938 C ARG A 57 -3.391 -4.490 -3.445 1.00 0.00 C ATOM 939 O ARG A 57 -2.207 -4.344 -3.744 1.00 0.00 O ATOM 940 CB ARG A 57 -4.448 -5.680 -1.511 1.00 0.00 C ATOM 941 CG ARG A 57 -5.827 -6.287 -1.314 1.00 0.00 C ATOM 942 CD ARG A 57 -6.252 -6.242 0.145 1.00 0.00 C ATOM 943 NE ARG A 57 -5.272 -6.878 1.022 1.00 0.00 N ATOM 944 CZ ARG A 57 -5.081 -8.193 1.090 1.00 0.00 C ATOM 945 NH1 ARG A 57 -5.799 -9.014 0.335 1.00 0.00 N ATOM 946 NH2 ARG A 57 -4.168 -8.688 1.915 1.00 0.00 N ATOM 0 H ARG A 57 -1.918 -6.470 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.719 -6.158 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.751 -6.149 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.487 -4.621 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.553 -5.748 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.824 -7.320 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.392 -5.205 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.215 -6.740 0.257 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.700 -6.279 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.502 -8.638 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.648 -10.021 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.613 -8.061 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.021 -9.696 1.968 1.00 0.00 H new ATOM 960 N GLU A 58 -4.288 -3.515 -3.543 1.00 0.00 N ATOM 961 CA GLU A 58 -3.923 -2.186 -4.016 1.00 0.00 C ATOM 962 C GLU A 58 -4.953 -1.149 -3.576 1.00 0.00 C ATOM 963 O GLU A 58 -6.126 -1.232 -3.942 1.00 0.00 O ATOM 964 CB GLU A 58 -3.796 -2.181 -5.541 1.00 0.00 C ATOM 965 CG GLU A 58 -3.382 -0.836 -6.113 1.00 0.00 C ATOM 966 CD GLU A 58 -3.788 -0.670 -7.566 1.00 0.00 C ATOM 967 OE1 GLU A 58 -4.941 -0.262 -7.818 1.00 0.00 O ATOM 968 OE2 GLU A 58 -2.952 -0.949 -8.451 1.00 0.00 O ATOM 0 H GLU A 58 -5.273 -3.621 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.960 -1.924 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.066 -2.933 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.751 -2.474 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.832 -0.039 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.301 -0.726 -6.027 1.00 0.00 H new ATOM 975 N CYS A 59 -4.507 -0.175 -2.791 1.00 0.00 N ATOM 976 CA CYS A 59 -5.390 0.877 -2.300 1.00 0.00 C ATOM 977 C CYS A 59 -4.888 2.252 -2.730 1.00 0.00 C ATOM 978 O CYS A 59 -3.897 2.366 -3.450 1.00 0.00 O ATOM 979 CB CYS A 59 -5.498 0.813 -0.777 1.00 0.00 C ATOM 980 SG CYS A 59 -3.940 1.129 0.088 1.00 0.00 S ATOM 0 H CYS A 59 -3.539 -0.092 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.378 0.719 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.239 1.540 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.867 -0.172 -0.491 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.150 1.139 1.371 1.00 0.00 H new ATOM 986 N HIS A 60 -5.582 3.295 -2.283 1.00 0.00 N ATOM 987 CA HIS A 60 -5.208 4.663 -2.621 1.00 0.00 C ATOM 988 C HIS A 60 -5.229 5.554 -1.384 1.00 0.00 C ATOM 989 O HIS A 60 -6.230 6.207 -1.096 1.00 0.00 O ATOM 990 CB HIS A 60 -6.153 5.224 -3.685 1.00 0.00 C ATOM 991 CG HIS A 60 -5.784 4.831 -5.081 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.647 5.743 -6.109 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.521 3.618 -5.623 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.317 5.106 -7.218 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.235 3.816 -6.950 1.00 0.00 N ATOM 0 H HIS A 60 -6.406 3.218 -1.686 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.193 4.648 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.166 4.881 -3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.163 6.312 -3.613 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.780 6.751 -6.025 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.534 2.670 -5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.144 5.563 -8.181 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.117 5.574 -0.657 1.00 0.00 N ATOM 1005 CA LEU A 61 -4.008 6.385 0.550 1.00 0.00 C ATOM 1006 C LEU A 61 -4.234 7.862 0.235 1.00 0.00 C ATOM 1007 O LEU A 61 -4.776 8.606 1.051 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.635 6.194 1.198 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.446 6.607 0.330 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -1.082 8.061 0.581 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.252 5.703 0.597 1.00 0.00 C ATOM 0 H LEU A 61 -3.279 5.038 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.779 6.058 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.605 6.767 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.521 5.144 1.468 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.730 6.501 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.234 8.337 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.934 8.696 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.817 8.194 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.585 6.011 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.033 5.777 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.518 4.672 0.366 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.812 8.277 -0.956 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.969 9.664 -1.381 1.00 0.00 C ATOM 1025 C LYS A 62 -4.986 9.771 -2.517 1.00 0.00 C ATOM 1026 O LYS A 62 -5.375 8.765 -3.107 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.621 10.234 -1.828 1.00 0.00 C ATOM 1028 CG LYS A 62 -2.024 11.225 -0.841 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.143 12.247 -1.541 1.00 0.00 C ATOM 1030 CE LYS A 62 0.278 11.733 -1.710 1.00 0.00 C ATOM 1031 NZ LYS A 62 1.113 12.666 -2.518 1.00 0.00 N ATOM 0 H LYS A 62 -3.359 7.674 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.337 10.243 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.919 9.413 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.745 10.725 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.825 11.738 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.438 10.689 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.564 12.484 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.130 13.173 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.733 11.595 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.256 10.756 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.074 12.280 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.693 12.778 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.155 13.592 -2.046 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.431 11.000 -2.837 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.407 11.231 -3.908 1.00 0.00 C ATOM 1047 C PRO A 63 -5.850 10.893 -5.288 1.00 0.00 C ATOM 1048 O PRO A 63 -6.597 10.801 -6.263 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.710 12.728 -3.805 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.519 13.314 -3.127 1.00 0.00 C ATOM 1051 CD PRO A 63 -5.019 12.256 -2.184 1.00 0.00 C ATOM 0 HA PRO A 63 -7.287 10.598 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.861 13.169 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.620 12.909 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.751 13.585 -3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.785 14.223 -2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.938 12.308 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.461 12.358 -1.193 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.537 10.707 -5.364 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.880 10.379 -6.625 1.00 0.00 C ATOM 1061 C ASP A 64 -2.575 9.631 -6.375 1.00 0.00 C ATOM 1062 O ASP A 64 -1.514 10.038 -6.850 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.612 11.650 -7.431 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.762 12.004 -8.352 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -5.405 11.076 -8.886 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -5.022 13.212 -8.539 1.00 0.00 O ATOM 0 H ASP A 64 -3.905 10.778 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.544 9.732 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.430 12.479 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.705 11.518 -8.021 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.659 8.537 -5.624 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.482 7.736 -5.309 1.00 0.00 C ATOM 1073 C LEU A 65 -1.860 6.273 -5.096 1.00 0.00 C ATOM 1074 O LEU A 65 -2.723 5.957 -4.278 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.788 8.286 -4.061 1.00 0.00 C ATOM 1076 CG LEU A 65 0.724 8.480 -4.196 1.00 0.00 C ATOM 1077 CD1 LEU A 65 1.039 9.878 -4.702 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.412 8.224 -2.863 1.00 0.00 C ATOM 0 H LEU A 65 -3.529 8.186 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.795 7.793 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.241 9.244 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.980 7.609 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 65 1.102 7.761 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.119 9.998 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.575 10.025 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.649 10.615 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.487 8.366 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.030 8.921 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.213 7.202 -2.541 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.202 5.383 -5.835 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.465 3.954 -5.722 1.00 0.00 C ATOM 1092 C LEU A 66 -0.532 3.316 -4.700 1.00 0.00 C ATOM 1093 O LEU A 66 0.505 3.883 -4.354 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.295 3.263 -7.080 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.643 4.118 -8.304 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.427 4.288 -9.201 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.796 3.495 -9.079 1.00 0.00 C ATOM 0 H LEU A 66 -0.484 5.627 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.495 3.827 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.261 2.932 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.919 2.369 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.954 5.104 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.694 4.898 -10.064 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.371 4.778 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.085 3.310 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.030 4.115 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.512 2.497 -9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.672 3.426 -8.435 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.900 2.132 -4.223 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.087 1.421 -3.244 1.00 0.00 C ATOM 1111 C LEU A 67 -0.437 -0.062 -3.213 1.00 0.00 C ATOM 1112 O LEU A 67 -1.353 -0.481 -2.505 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.275 2.026 -1.851 1.00 0.00 C ATOM 1114 CG LEU A 67 0.805 1.648 -0.834 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.702 2.524 0.404 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.690 0.179 -0.457 1.00 0.00 C ATOM 0 H LEU A 67 -1.754 1.646 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 67 0.957 1.524 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.303 3.112 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.245 1.714 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 67 1.781 1.812 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.478 2.241 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.832 3.569 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.278 2.391 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.465 -0.073 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.290 -0.008 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.812 -0.436 -1.349 1.00 0.00 H new ATOM 1128 N VAL A 68 0.309 -0.854 -3.976 1.00 0.00 N ATOM 1129 CA VAL A 68 0.088 -2.293 -4.026 1.00 0.00 C ATOM 1130 C VAL A 68 0.923 -2.994 -2.963 1.00 0.00 C ATOM 1131 O VAL A 68 2.092 -2.669 -2.768 1.00 0.00 O ATOM 1132 CB VAL A 68 0.442 -2.870 -5.411 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.072 -4.343 -5.490 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.249 -2.078 -6.511 1.00 0.00 C ATOM 0 H VAL A 68 1.071 -0.523 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.971 -2.468 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 68 1.519 -2.784 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.330 -4.731 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.619 -4.897 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.999 -4.459 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.012 -2.499 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.329 -2.129 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.074 -1.038 -6.468 1.00 0.00 H new ATOM 1144 N TYR A 69 0.318 -3.949 -2.268 1.00 0.00 N ATOM 1145 CA TYR A 69 1.016 -4.680 -1.221 1.00 0.00 C ATOM 1146 C TYR A 69 0.407 -6.062 -1.011 1.00 0.00 C ATOM 1147 O TYR A 69 -0.773 -6.281 -1.288 1.00 0.00 O ATOM 1148 CB TYR A 69 0.974 -3.888 0.086 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.422 -3.492 0.509 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.101 -2.469 -0.141 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.061 -4.141 1.557 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.378 -2.105 0.243 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.337 -3.784 1.947 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.992 -2.765 1.287 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.262 -2.405 1.673 1.00 0.00 O ATOM 0 H TYR A 69 -0.651 -4.234 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 69 2.052 -4.810 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.429 -4.484 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.580 -2.989 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.624 -1.950 -0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.551 -4.939 2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.893 -1.307 -0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.819 -4.300 2.764 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.853 -2.403 0.891 1.00 0.00 H new ATOM 1165 N GLN A 70 1.220 -6.989 -0.516 1.00 0.00 N ATOM 1166 CA GLN A 70 0.765 -8.351 -0.265 1.00 0.00 C ATOM 1167 C GLN A 70 1.220 -8.829 1.111 1.00 0.00 C ATOM 1168 O GLN A 70 2.413 -8.835 1.413 1.00 0.00 O ATOM 1169 CB GLN A 70 1.296 -9.295 -1.344 1.00 0.00 C ATOM 1170 CG GLN A 70 2.811 -9.271 -1.483 1.00 0.00 C ATOM 1171 CD GLN A 70 3.430 -10.652 -1.374 1.00 0.00 C ATOM 1172 OE1 GLN A 70 4.283 -11.026 -2.180 1.00 0.00 O ATOM 1173 NE2 GLN A 70 3.002 -11.414 -0.376 1.00 0.00 N ATOM 0 H GLN A 70 2.198 -6.821 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.325 -8.355 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.977 -10.312 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.847 -9.028 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.077 -8.833 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.233 -8.626 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.293 -11.061 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.382 -12.353 -0.252 1.00 0.00 H new ATOM 1182 N ILE A 71 0.261 -9.229 1.940 1.00 0.00 N ATOM 1183 CA ILE A 71 0.564 -9.709 3.283 1.00 0.00 C ATOM 1184 C ILE A 71 0.835 -11.210 3.273 1.00 0.00 C ATOM 1185 O ILE A 71 0.026 -11.996 2.778 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.588 -9.398 4.267 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.644 -7.899 4.568 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.429 -10.189 5.561 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.827 -7.038 3.339 1.00 0.00 C ATOM 0 H ILE A 71 -0.732 -9.230 1.705 1.00 0.00 H new ATOM 0 HA ILE A 71 1.459 -9.185 3.619 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.524 -9.698 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.464 -7.707 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.276 -7.604 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.252 -9.952 6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.438 -11.256 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.516 -9.925 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.857 -5.988 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.005 -7.200 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.761 -7.304 2.844 1.00 0.00 H new ATOM 1201 N LYS A 72 1.978 -11.602 3.826 1.00 0.00 N ATOM 1202 CA LYS A 72 2.352 -13.010 3.886 1.00 0.00 C ATOM 1203 C LYS A 72 1.982 -13.608 5.238 1.00 0.00 C ATOM 1204 O LYS A 72 2.698 -13.430 6.224 1.00 0.00 O ATOM 1205 CB LYS A 72 3.853 -13.175 3.632 1.00 0.00 C ATOM 1206 CG LYS A 72 4.715 -12.202 4.421 1.00 0.00 C ATOM 1207 CD LYS A 72 5.136 -11.012 3.571 1.00 0.00 C ATOM 1208 CE LYS A 72 6.620 -10.721 3.715 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.417 -11.347 2.624 1.00 0.00 N ATOM 0 H LYS A 72 2.660 -10.966 4.238 1.00 0.00 H new ATOM 0 HA LYS A 72 1.803 -13.542 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.146 -14.194 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.050 -13.041 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.163 -11.850 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.601 -12.717 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.903 -11.210 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.562 -10.133 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.781 -9.643 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.971 -11.091 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.424 -11.125 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.284 -12.378 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.100 -10.976 1.706 1.00 0.00 H new ATOM 1223 N LYS A 73 0.856 -14.314 5.276 1.00 0.00 N ATOM 1224 CA LYS A 73 0.384 -14.941 6.507 1.00 0.00 C ATOM 1225 C LYS A 73 1.445 -15.864 7.098 1.00 0.00 C ATOM 1226 O LYS A 73 1.435 -16.147 8.297 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.901 -15.728 6.242 1.00 0.00 C ATOM 1228 CG LYS A 73 -0.865 -16.541 4.958 1.00 0.00 C ATOM 1229 CD LYS A 73 -1.899 -17.657 4.973 1.00 0.00 C ATOM 1230 CE LYS A 73 -2.881 -17.527 3.819 1.00 0.00 C ATOM 1231 NZ LYS A 73 -3.966 -18.543 3.894 1.00 0.00 N ATOM 0 H LYS A 73 0.253 -14.467 4.468 1.00 0.00 H new ATOM 0 HA LYS A 73 0.179 -14.150 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.086 -16.399 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.740 -15.033 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.048 -15.886 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.129 -16.967 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.395 -18.622 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.442 -17.637 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.318 -16.528 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.347 -17.635 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.613 -18.420 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.552 -19.496 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.492 -18.424 4.783 1.00 0.00 H new ATOM 1245 N GLN A 74 2.362 -16.332 6.255 1.00 0.00 N ATOM 1246 CA GLN A 74 3.428 -17.224 6.698 1.00 0.00 C ATOM 1247 C GLN A 74 4.150 -16.653 7.915 1.00 0.00 C ATOM 1248 O GLN A 74 4.583 -17.393 8.798 1.00 0.00 O ATOM 1249 CB GLN A 74 4.428 -17.461 5.564 1.00 0.00 C ATOM 1250 CG GLN A 74 5.355 -18.640 5.807 1.00 0.00 C ATOM 1251 CD GLN A 74 4.605 -19.950 5.960 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.114 -20.212 7.166 1.00 0.00 O flip ATOM 1253 NE2 GLN A 74 4.468 -20.716 5.006 1.00 0.00 N flip ATOM 0 H GLN A 74 2.387 -16.108 5.260 1.00 0.00 H new ATOM 0 HA GLN A 74 2.975 -18.174 6.981 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.880 -17.626 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.027 -16.561 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.057 -18.722 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.944 -18.455 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.862 -20.474 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.960 -21.593 5.125 1.00 0.00 H new ATOM 1262 N GLU A 75 4.274 -15.329 7.955 1.00 0.00 N ATOM 1263 CA GLU A 75 4.943 -14.658 9.066 1.00 0.00 C ATOM 1264 C GLU A 75 4.266 -13.328 9.397 1.00 0.00 C ATOM 1265 O GLU A 75 4.847 -12.483 10.077 1.00 0.00 O ATOM 1266 CB GLU A 75 6.416 -14.424 8.734 1.00 0.00 C ATOM 1267 CG GLU A 75 6.654 -13.949 7.308 1.00 0.00 C ATOM 1268 CD GLU A 75 8.121 -13.951 6.931 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.971 -13.892 7.845 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.422 -14.010 5.720 1.00 0.00 O ATOM 0 H GLU A 75 3.921 -14.701 7.233 1.00 0.00 H new ATOM 0 HA GLU A 75 4.871 -15.305 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.822 -13.686 9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.967 -15.350 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.105 -14.590 6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.254 -12.941 7.193 1.00 0.00 H new ATOM 1277 N ASN A 76 3.037 -13.147 8.914 1.00 0.00 N ATOM 1278 CA ASN A 76 2.287 -11.918 9.165 1.00 0.00 C ATOM 1279 C ASN A 76 3.142 -10.681 8.899 1.00 0.00 C ATOM 1280 O ASN A 76 3.503 -9.954 9.825 1.00 0.00 O ATOM 1281 CB ASN A 76 1.770 -11.898 10.604 1.00 0.00 C ATOM 1282 CG ASN A 76 0.528 -12.749 10.785 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.455 -13.874 10.291 1.00 0.00 O ATOM 1284 ND2 ASN A 76 -0.458 -12.214 11.496 1.00 0.00 N ATOM 0 H ASN A 76 2.541 -13.835 8.348 1.00 0.00 H new ATOM 0 HA ASN A 76 1.440 -11.897 8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.553 -12.256 11.273 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.548 -10.871 10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.318 -12.739 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.355 -11.278 11.887 1.00 0.00 H new ATOM 1291 N THR A 77 3.464 -10.449 7.630 1.00 0.00 N ATOM 1292 CA THR A 77 4.277 -9.301 7.248 1.00 0.00 C ATOM 1293 C THR A 77 3.607 -8.501 6.136 1.00 0.00 C ATOM 1294 O THR A 77 3.047 -9.069 5.199 1.00 0.00 O ATOM 1295 CB THR A 77 5.665 -9.763 6.795 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.336 -10.438 7.845 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.557 -8.629 6.337 1.00 0.00 C ATOM 0 H THR A 77 3.175 -11.040 6.851 1.00 0.00 H new ATOM 0 HA THR A 77 4.381 -8.656 8.120 1.00 0.00 H new ATOM 0 HB THR A 77 5.485 -10.425 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.220 -10.727 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.524 -9.028 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.092 -8.118 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.699 -7.924 7.156 1.00 0.00 H new ATOM 1305 N LEU A 78 3.668 -7.177 6.248 1.00 0.00 N ATOM 1306 CA LEU A 78 3.070 -6.296 5.252 1.00 0.00 C ATOM 1307 C LEU A 78 4.111 -5.851 4.231 1.00 0.00 C ATOM 1308 O LEU A 78 4.802 -4.852 4.427 1.00 0.00 O ATOM 1309 CB LEU A 78 2.445 -5.074 5.928 1.00 0.00 C ATOM 1310 CG LEU A 78 1.172 -4.545 5.266 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.382 -3.685 6.239 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.514 -3.758 4.009 1.00 0.00 C ATOM 0 H LEU A 78 4.126 -6.691 7.019 1.00 0.00 H new ATOM 0 HA LEU A 78 2.289 -6.851 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.219 -5.327 6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.184 -4.273 5.950 1.00 0.00 H new ATOM 0 HG LEU A 78 0.552 -5.395 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.520 -3.318 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.106 -4.280 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.993 -2.840 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.597 -3.389 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.154 -2.915 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.036 -4.406 3.305 1.00 0.00 H new ATOM 1324 N PHE A 79 4.219 -6.602 3.140 1.00 0.00 N ATOM 1325 CA PHE A 79 5.177 -6.291 2.087 1.00 0.00 C ATOM 1326 C PHE A 79 4.545 -5.398 1.023 1.00 0.00 C ATOM 1327 O PHE A 79 3.585 -5.789 0.360 1.00 0.00 O ATOM 1328 CB PHE A 79 5.700 -7.588 1.456 1.00 0.00 C ATOM 1329 CG PHE A 79 6.455 -7.387 0.170 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.283 -6.288 -0.004 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.333 -8.299 -0.866 1.00 0.00 C ATOM 1332 CE1 PHE A 79 7.974 -6.105 -1.186 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.023 -8.121 -2.051 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.845 -7.022 -2.210 1.00 0.00 C ATOM 0 H PHE A 79 3.653 -7.432 2.962 1.00 0.00 H new ATOM 0 HA PHE A 79 6.013 -5.749 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.351 -8.090 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.857 -8.254 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.389 -5.567 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.691 -9.159 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.615 -5.245 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.920 -8.840 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.386 -6.880 -3.134 1.00 0.00 H new ATOM 1344 N LEU A 80 5.095 -4.197 0.863 1.00 0.00 N ATOM 1345 CA LEU A 80 4.589 -3.248 -0.122 1.00 0.00 C ATOM 1346 C LEU A 80 5.028 -3.645 -1.528 1.00 0.00 C ATOM 1347 O LEU A 80 5.726 -4.641 -1.712 1.00 0.00 O ATOM 1348 CB LEU A 80 5.078 -1.836 0.201 1.00 0.00 C ATOM 1349 CG LEU A 80 4.763 -1.348 1.616 1.00 0.00 C ATOM 1350 CD1 LEU A 80 5.857 -0.418 2.117 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.411 -0.651 1.652 1.00 0.00 C ATOM 0 H LEU A 80 5.891 -3.859 1.403 1.00 0.00 H new ATOM 0 HA LEU A 80 3.500 -3.262 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.157 -1.799 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.634 -1.142 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 80 4.721 -2.214 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.615 -0.081 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.808 -0.950 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.933 0.445 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.204 -0.311 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.425 0.205 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.634 -1.348 1.337 1.00 0.00 H new ATOM 1363 N VAL A 81 4.616 -2.860 -2.519 1.00 0.00 N ATOM 1364 CA VAL A 81 4.969 -3.137 -3.906 1.00 0.00 C ATOM 1365 C VAL A 81 5.050 -1.848 -4.721 1.00 0.00 C ATOM 1366 O VAL A 81 6.139 -1.388 -5.063 1.00 0.00 O ATOM 1367 CB VAL A 81 3.954 -4.098 -4.562 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.313 -4.359 -6.020 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.879 -5.403 -3.783 1.00 0.00 C ATOM 0 H VAL A 81 4.039 -2.029 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 81 5.949 -3.614 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 81 2.972 -3.625 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.582 -5.039 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.309 -3.418 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.305 -4.807 -6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.159 -6.070 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.860 -5.877 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.564 -5.198 -2.760 1.00 0.00 H new ATOM 1379 N ARG A 82 3.894 -1.270 -5.031 1.00 0.00 N ATOM 1380 CA ARG A 82 3.843 -0.036 -5.808 1.00 0.00 C ATOM 1381 C ARG A 82 3.682 1.177 -4.896 1.00 0.00 C ATOM 1382 O ARG A 82 3.390 1.037 -3.708 1.00 0.00 O ATOM 1383 CB ARG A 82 2.694 -0.090 -6.816 1.00 0.00 C ATOM 1384 CG ARG A 82 2.975 -0.989 -8.009 1.00 0.00 C ATOM 1385 CD ARG A 82 1.861 -0.911 -9.042 1.00 0.00 C ATOM 1386 NE ARG A 82 2.249 -0.119 -10.207 1.00 0.00 N ATOM 1387 CZ ARG A 82 3.024 -0.575 -11.187 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.497 -1.815 -11.149 1.00 0.00 N ATOM 1389 NH2 ARG A 82 3.329 0.212 -12.210 1.00 0.00 N ATOM 0 H ARG A 82 2.982 -1.635 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 82 4.785 0.063 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.794 -0.441 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.486 0.919 -7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.920 -0.700 -8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.087 -2.019 -7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.592 -1.918 -9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.973 -0.473 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 82 1.906 0.839 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.267 -2.425 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.091 -2.158 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.969 1.166 -12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.923 -0.137 -12.962 1.00 0.00 H new ATOM 1403 N LEU A 83 3.873 2.365 -5.461 1.00 0.00 N ATOM 1404 CA LEU A 83 3.749 3.604 -4.701 1.00 0.00 C ATOM 1405 C LEU A 83 3.977 4.816 -5.597 1.00 0.00 C ATOM 1406 O LEU A 83 5.105 5.286 -5.749 1.00 0.00 O ATOM 1407 CB LEU A 83 4.750 3.620 -3.543 1.00 0.00 C ATOM 1408 CG LEU A 83 4.338 4.474 -2.342 1.00 0.00 C ATOM 1409 CD1 LEU A 83 4.036 5.898 -2.780 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.132 3.862 -1.644 1.00 0.00 C ATOM 0 H LEU A 83 4.114 2.496 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 83 2.737 3.654 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.907 2.596 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.708 3.983 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 83 5.168 4.501 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.745 6.491 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.924 6.334 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.222 5.891 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.852 4.481 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.297 3.806 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.382 2.860 -1.297 1.00 0.00 H new ATOM 1422 N GLY A 84 2.898 5.321 -6.189 1.00 0.00 N ATOM 1423 CA GLY A 84 3.003 6.475 -7.061 1.00 0.00 C ATOM 1424 C GLY A 84 1.677 6.839 -7.700 1.00 0.00 C ATOM 1425 O GLY A 84 0.683 6.138 -7.520 1.00 0.00 O ATOM 0 H GLY A 84 1.954 4.951 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.374 7.326 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.736 6.272 -7.842 1.00 0.00 H new ATOM 1429 N SER A 85 1.662 7.937 -8.446 1.00 0.00 N ATOM 1430 CA SER A 85 0.448 8.392 -9.113 1.00 0.00 C ATOM 1431 C SER A 85 0.432 7.949 -10.572 1.00 0.00 C ATOM 1432 O SER A 85 1.480 7.780 -11.192 1.00 0.00 O ATOM 1433 CB SER A 85 0.334 9.915 -9.028 1.00 0.00 C ATOM 1434 OG SER A 85 -0.955 10.352 -9.428 1.00 0.00 O ATOM 0 H SER A 85 2.477 8.529 -8.604 1.00 0.00 H new ATOM 0 HA SER A 85 -0.406 7.943 -8.606 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.532 10.242 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.091 10.376 -9.662 1.00 0.00 H new ATOM 0 HG SER A 85 -1.624 10.026 -8.790 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.768 7.764 -11.115 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.921 7.341 -12.502 1.00 0.00 C ATOM 1442 C HIS A 86 -0.470 8.439 -13.459 1.00 0.00 C ATOM 1443 O HIS A 86 0.280 8.186 -14.401 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.376 6.965 -12.785 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.524 5.735 -13.624 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.468 5.752 -15.002 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -2.728 4.443 -13.275 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.631 4.525 -15.463 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -2.790 3.713 -14.435 1.00 0.00 N ATOM 0 H HIS A 86 -1.647 7.900 -10.616 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.291 6.466 -12.661 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.894 6.813 -11.838 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.867 7.799 -13.287 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.824 4.058 -12.270 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.634 4.236 -16.504 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -2.936 2.705 -14.493 1.00 0.00 H new ATOM 1458 N SER A 87 -0.933 9.661 -13.210 1.00 0.00 N ATOM 1459 CA SER A 87 -0.578 10.798 -14.050 1.00 0.00 C ATOM 1460 C SER A 87 0.931 11.028 -14.044 1.00 0.00 C ATOM 1461 O SER A 87 1.503 11.482 -15.036 1.00 0.00 O ATOM 1462 CB SER A 87 -1.300 12.059 -13.571 1.00 0.00 C ATOM 1463 OG SER A 87 -1.094 12.270 -12.184 1.00 0.00 O ATOM 0 H SER A 87 -1.554 9.888 -12.434 1.00 0.00 H new ATOM 0 HA SER A 87 -0.890 10.576 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.940 12.922 -14.131 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.367 11.970 -13.774 1.00 0.00 H new ATOM 0 HG SER A 87 -1.564 13.083 -11.903 1.00 0.00 H new ATOM 1469 N GLU A 88 1.567 10.714 -12.921 1.00 0.00 N ATOM 1470 CA GLU A 88 3.009 10.886 -12.787 1.00 0.00 C ATOM 1471 C GLU A 88 3.758 9.747 -13.471 1.00 0.00 C ATOM 1472 O GLU A 88 4.537 9.969 -14.398 1.00 0.00 O ATOM 1473 CB GLU A 88 3.399 10.956 -11.309 1.00 0.00 C ATOM 1474 CG GLU A 88 4.502 11.962 -11.018 1.00 0.00 C ATOM 1475 CD GLU A 88 3.960 13.331 -10.661 1.00 0.00 C ATOM 1476 OE1 GLU A 88 3.380 13.991 -11.550 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.115 13.746 -9.493 1.00 0.00 O ATOM 0 H GLU A 88 1.108 10.339 -12.091 1.00 0.00 H new ATOM 0 HA GLU A 88 3.286 11.821 -13.273 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.518 11.215 -10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.723 9.969 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.118 11.594 -10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.150 12.048 -11.890 1.00 0.00 H new ATOM 1484 N LEU A 89 3.517 8.525 -13.007 1.00 0.00 N ATOM 1485 CA LEU A 89 4.168 7.349 -13.573 1.00 0.00 C ATOM 1486 C LEU A 89 3.829 7.199 -15.052 1.00 0.00 C ATOM 1487 O LEU A 89 4.644 6.723 -15.842 1.00 0.00 O ATOM 1488 CB LEU A 89 3.747 6.092 -12.811 1.00 0.00 C ATOM 1489 CG LEU A 89 4.566 5.794 -11.553 1.00 0.00 C ATOM 1490 CD1 LEU A 89 3.956 6.482 -10.343 1.00 0.00 C ATOM 1491 CD2 LEU A 89 4.662 4.293 -11.326 1.00 0.00 C ATOM 0 H LEU A 89 2.875 8.323 -12.240 1.00 0.00 H new ATOM 0 HA LEU A 89 5.246 7.479 -13.478 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.699 6.190 -12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.818 5.237 -13.483 1.00 0.00 H new ATOM 0 HG LEU A 89 5.573 6.185 -11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.552 6.258 -9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.940 7.559 -10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.938 6.122 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.248 4.098 -10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.661 3.879 -11.204 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.146 3.826 -12.183 1.00 0.00 H new ATOM 1503 N PHE A 90 2.618 7.607 -15.420 1.00 0.00 N ATOM 1504 CA PHE A 90 2.170 7.517 -16.806 1.00 0.00 C ATOM 1505 C PHE A 90 1.761 8.889 -17.335 1.00 0.00 C ATOM 1506 O PHE A 90 2.595 9.538 -18.000 1.00 0.00 O ATOM 1507 CB PHE A 90 0.996 6.543 -16.922 1.00 0.00 C ATOM 1508 CG PHE A 90 1.418 5.103 -16.995 1.00 0.00 C ATOM 1509 CD1 PHE A 90 2.074 4.504 -15.932 1.00 0.00 C ATOM 1510 CD2 PHE A 90 1.156 4.348 -18.127 1.00 0.00 C ATOM 1511 CE1 PHE A 90 2.462 3.180 -15.996 1.00 0.00 C ATOM 1512 CE2 PHE A 90 1.542 3.023 -18.197 1.00 0.00 C ATOM 1513 CZ PHE A 90 2.196 2.438 -17.131 1.00 0.00 C ATOM 0 H PHE A 90 1.930 8.003 -14.779 1.00 0.00 H new ATOM 0 HA PHE A 90 3.001 7.148 -17.407 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.337 6.677 -16.065 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.416 6.789 -17.812 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.285 5.079 -15.043 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.644 4.800 -18.964 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.973 2.725 -15.160 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.332 2.445 -19.085 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.499 1.403 -17.184 1.00 0.00 H new TER 1523 PHE A 90